# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3581436d-5ef9-41a7-bf4d-d36c94092c60/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 Rb5Th(PS4)3 / P2_1/c (14) / materials id 572864](https://mdr.nims.go.jp/datasets/cad3b582-3562-458b-bc0a-45fb36219654) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 13.310983999999999, 0.000000000000000, -0.060730790000000 ] # a - [ 0.000000000000000, 9.935458010000000, 0.000000000000000 ] # b - [ -3.760924310000000, 0.000000000000000, 17.950136100000002 ] # c points: - symbol: Rb # 1 coordinates: [ 0.310423670000000, 0.333952440000000, 0.216947880000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.018000270000000, 0.818418260000000, 0.630054060000000 ] mass: 85.467800 - symbol: Rb # 3 coordinates: [ 0.981999730000000, 0.181581740000000, 0.369945940000000 ] mass: 85.467800 - symbol: Rb # 4 coordinates: [ 0.344262020000000, 0.617589460000000, 0.691775520000000 ] mass: 85.467800 - symbol: Rb # 5 coordinates: [ 0.689576330000000, 0.833952440000000, 0.283052120000000 ] mass: 85.467800 - symbol: Rb # 6 coordinates: [ 0.344262020000000, 0.882410540000000, 0.191775520000000 ] mass: 85.467800 - symbol: Rb # 7 coordinates: [ 0.352918240000000, 0.856404690000000, 0.952730960000000 ] mass: 85.467800 - symbol: Rb # 8 coordinates: [ 0.655737980000000, 0.382410540000000, 0.308224480000000 ] mass: 85.467800 - symbol: Rb # 9 coordinates: [ 0.012752500000000, 0.876415150000000, 0.875142690000000 ] mass: 85.467800 - symbol: Rb # 10 coordinates: [ 0.655737980000000, 0.117589460000000, 0.808224480000000 ] mass: 85.467800 - symbol: Rb # 11 coordinates: [ 0.987247500000000, 0.376415150000000, 0.624857310000000 ] mass: 85.467800 - symbol: Rb # 12 coordinates: [ 0.647081760000000, 0.356404690000000, 0.547269040000000 ] mass: 85.467800 - symbol: Rb # 13 coordinates: [ 0.987247500000000, 0.123584850000000, 0.124857310000000 ] mass: 85.467800 - symbol: Rb # 14 coordinates: [ 0.352918240000000, 0.643595310000000, 0.452730960000000 ] mass: 85.467800 - symbol: Rb # 15 coordinates: [ 0.647081760000000, 0.143595310000000, 0.047269040000000 ] mass: 85.467800 - symbol: Rb # 16 coordinates: [ 0.689576330000000, 0.666047560000000, 0.783052120000000 ] mass: 85.467800 - symbol: Rb # 17 coordinates: [ 0.310423670000000, 0.166047560000000, 0.716947880000000 ] mass: 85.467800 - symbol: Rb # 18 coordinates: [ 0.981999730000000, 0.318418260000000, 0.869945940000000 ] mass: 85.467800 - symbol: Rb # 19 coordinates: [ 0.018000270000000, 0.681581740000000, 0.130054060000000 ] mass: 85.467800 - symbol: Rb # 20 coordinates: [ 0.012752500000000, 0.623584850000000, 0.375142690000000 ] mass: 85.467800 - symbol: Th # 21 coordinates: [ 0.318663240000000, 0.398665970000000, 0.965674910000000 ] mass: 232.038060 - symbol: Th # 22 coordinates: [ 0.318663240000000, 0.101334030000000, 0.465674910000000 ] mass: 232.038060 - symbol: Th # 23 coordinates: [ 0.681336760000000, 0.898665970000000, 0.534325090000000 ] mass: 232.038060 - symbol: Th # 24 coordinates: [ 0.681336760000000, 0.601334030000000, 0.034325090000000 ] mass: 232.038060 - symbol: P # 25 coordinates: [ 0.470544090000000, 0.907694390000000, 0.632071320000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.147176270000000, 0.899258480000000, 0.319323310000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.147176270000000, 0.600741520000000, 0.819323310000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.215975660000000, 0.368037400000000, 0.518687700000000 ] mass: 30.973762 - symbol: P # 29 coordinates: [ 0.852823730000000, 0.399258480000000, 0.180676690000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.784024340000000, 0.868037400000000, 0.981312300000000 ] mass: 30.973762 - symbol: P # 31 coordinates: [ 0.529455910000000, 0.092305610000000, 0.367928680000000 ] mass: 30.973762 - symbol: P # 32 coordinates: [ 0.784024340000000, 0.631962600000000, 0.481312300000000 ] mass: 30.973762 - symbol: P # 33 coordinates: [ 0.215975660000000, 0.131962600000000, 0.018687700000000 ] mass: 30.973762 - symbol: P # 34 coordinates: [ 0.852823730000000, 0.100741520000000, 0.680676690000000 ] mass: 30.973762 - symbol: P # 35 coordinates: [ 0.470544090000000, 0.592305610000000, 0.132071320000000 ] mass: 30.973762 - symbol: P # 36 coordinates: [ 0.529455910000000, 0.407694390000000, 0.867928680000000 ] mass: 30.973762 - symbol: S # 37 coordinates: [ 0.851529380000000, 0.692810610000000, 0.956730040000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.157942500000000, 0.957765530000000, 0.046817410000000 ] mass: 32.065000 - symbol: S # 39 coordinates: [ 0.480596710000000, 0.906792520000000, 0.742210630000000 ] mass: 32.065000 - symbol: S # 40 coordinates: [ 0.148470620000000, 0.307189390000000, 0.043269960000000 ] mass: 32.065000 - symbol: S # 41 coordinates: [ 0.841711190000000, 0.097413990000000, 0.566231670000000 ] mass: 32.065000 - symbol: S # 42 coordinates: [ 0.842057500000000, 0.042234470000000, 0.953182590000000 ] mass: 32.065000 - symbol: S # 43 coordinates: [ 0.368555970000000, 0.338050100000000, 0.567181060000000 ] mass: 32.065000 - symbol: S # 44 coordinates: [ 0.319634480000000, 0.601367750000000, 0.077018790000000 ] mass: 32.065000 - symbol: S # 45 coordinates: [ 0.841711190000000, 0.402586010000000, 0.066231670000000 ] mass: 32.065000 - symbol: S # 46 coordinates: [ 0.998903600000000, 0.584729210000000, 0.765616110000000 ] mass: 32.065000 - symbol: S # 47 coordinates: [ 0.851529380000000, 0.807189390000000, 0.456730040000000 ] mass: 32.065000 - symbol: S # 48 coordinates: [ 0.842057500000000, 0.457765530000000, 0.453182590000000 ] mass: 32.065000 - symbol: S # 49 coordinates: [ 0.157942500000000, 0.542234470000000, 0.546817410000000 ] mass: 32.065000 - symbol: S # 50 coordinates: [ 0.209947500000000, 0.147714360000000, 0.906108950000000 ] mass: 32.065000 - symbol: S # 51 coordinates: [ 0.233665700000000, 0.068207290000000, 0.306723770000000 ] mass: 32.065000 - symbol: S # 52 coordinates: [ 0.546317170000000, 0.742352340000000, 0.602320900000000 ] mass: 32.065000 - symbol: S # 53 coordinates: [ 0.631444030000000, 0.838050100000000, 0.932818940000000 ] mass: 32.065000 - symbol: S # 54 coordinates: [ 0.001096400000000, 0.084729210000000, 0.734383890000000 ] mass: 32.065000 - symbol: S # 55 coordinates: [ 0.790052500000000, 0.647714360000000, 0.593891050000000 ] mass: 32.065000 - symbol: S # 56 coordinates: [ 0.368555970000000, 0.161949900000000, 0.067181060000000 ] mass: 32.065000 - symbol: S # 57 coordinates: [ 0.158288810000000, 0.902586010000000, 0.433768330000000 ] mass: 32.065000 - symbol: S # 58 coordinates: [ 0.546317170000000, 0.757647660000000, 0.102320900000000 ] mass: 32.065000 - symbol: S # 59 coordinates: [ 0.792722530000000, 0.274086230000000, 0.710566000000000 ] mass: 32.065000 - symbol: S # 60 coordinates: [ 0.527384820000000, 0.425373190000000, 0.086055230000000 ] mass: 32.065000 - symbol: S # 61 coordinates: [ 0.209947500000000, 0.352285640000000, 0.406108950000000 ] mass: 32.065000 - symbol: S # 62 coordinates: [ 0.680365520000000, 0.101367750000000, 0.422981210000000 ] mass: 32.065000 - symbol: S # 63 coordinates: [ 0.480596710000000, 0.593207480000000, 0.242210630000000 ] mass: 32.065000 - symbol: S # 64 coordinates: [ 0.766334300000000, 0.931792710000000, 0.693276230000000 ] mass: 32.065000 - symbol: S # 65 coordinates: [ 0.472615180000000, 0.574626810000000, 0.913944770000000 ] mass: 32.065000 - symbol: S # 66 coordinates: [ 0.319634480000000, 0.898632250000000, 0.577018790000000 ] mass: 32.065000 - symbol: S # 67 coordinates: [ 0.519403290000000, 0.093207480000000, 0.257789370000000 ] mass: 32.065000 - symbol: S # 68 coordinates: [ 0.998903600000000, 0.915270790000000, 0.265616110000000 ] mass: 32.065000 - symbol: S # 69 coordinates: [ 0.631444030000000, 0.661949900000000, 0.432818940000000 ] mass: 32.065000 - symbol: S # 70 coordinates: [ 0.527384820000000, 0.074626810000000, 0.586055230000000 ] mass: 32.065000 - symbol: S # 71 coordinates: [ 0.519403290000000, 0.406792520000000, 0.757789370000000 ] mass: 32.065000 - symbol: S # 72 coordinates: [ 0.453682830000000, 0.242352340000000, 0.897679100000000 ] mass: 32.065000 - symbol: S # 73 coordinates: [ 0.680365520000000, 0.398632250000000, 0.922981210000000 ] mass: 32.065000 - symbol: S # 74 coordinates: [ 0.472615180000000, 0.925373190000000, 0.413944770000000 ] mass: 32.065000 - symbol: S # 75 coordinates: [ 0.158288810000000, 0.597413990000000, 0.933768330000000 ] mass: 32.065000 - symbol: S # 76 coordinates: [ 0.453682830000000, 0.257647660000000, 0.397679100000000 ] mass: 32.065000 - symbol: S # 77 coordinates: [ 0.766334300000000, 0.568207290000000, 0.193276230000000 ] mass: 32.065000 - symbol: S # 78 coordinates: [ 0.207277470000000, 0.774086230000000, 0.789434000000000 ] mass: 32.065000 - symbol: S # 79 coordinates: [ 0.792722530000000, 0.225913770000000, 0.210566000000000 ] mass: 32.065000 - symbol: S # 80 coordinates: [ 0.790052500000000, 0.852285640000000, 0.093891050000000 ] mass: 32.065000 - symbol: S # 81 coordinates: [ 0.233665700000000, 0.431792710000000, 0.806723770000000 ] mass: 32.065000 - symbol: S # 82 coordinates: [ 0.148470620000000, 0.192810610000000, 0.543269960000000 ] mass: 32.065000 - symbol: S # 83 coordinates: [ 0.001096400000000, 0.415270790000000, 0.234383890000000 ] mass: 32.065000 - symbol: S # 84 coordinates: [ 0.207277470000000, 0.725913770000000, 0.289434000000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.075197809841067, 0.000000000000000, 0.015755494527422 ] # a* - [ 0.000000000000000, 0.100649612629182, 0.000000000000000 ] # b* - [ 0.000254417146058, 0.000000000000000, 0.055763189652333 ] # c*unit_cell: lattice: - [ 13.310983999999999, 0.000000000000000, -0.060730790000000 ] # a - [ 0.000000000000000, 9.935458010000000, 0.000000000000000 ] # b - [ -3.760924310000000, 0.000000000000000, 17.950136100000002 ] # c points: - symbol: Rb # 1 coordinates: [ 0.310423670000000, 0.333952440000000, 0.216947880000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.018000270000000, 0.818418260000000, 0.630054060000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.981999730000000, 0.181581740000000, 0.369945940000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.344262020000000, 0.617589460000000, 0.691775520000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.689576330000000, 0.833952440000000, 0.283052120000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.344262020000000, 0.882410540000000, 0.191775520000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.352918240000000, 0.856404690000000, 0.952730960000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.655737980000000, 0.382410540000000, 0.308224480000000 ] mass: 85.467800 reduced_to: 8 - symbol: Rb # 9 coordinates: [ 0.012752500000000, 0.876415150000000, 0.875142690000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 10 coordinates: [ 0.655737980000000, 0.117589460000000, 0.808224480000000 ] mass: 85.467800 reduced_to: 10 - symbol: Rb # 11 coordinates: [ 0.987247500000000, 0.376415150000000, 0.624857310000000 ] mass: 85.467800 reduced_to: 11 - symbol: Rb # 12 coordinates: [ 0.647081760000000, 0.356404690000000, 0.547269040000000 ] mass: 85.467800 reduced_to: 12 - symbol: Rb # 13 coordinates: [ 0.987247500000000, 0.123584850000000, 0.124857310000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.352918240000000, 0.643595310000000, 0.452730960000000 ] mass: 85.467800 reduced_to: 14 - symbol: Rb # 15 coordinates: [ 0.647081760000000, 0.143595310000000, 0.047269040000000 ] mass: 85.467800 reduced_to: 15 - symbol: Rb # 16 coordinates: [ 0.689576330000000, 0.666047560000000, 0.783052120000000 ] mass: 85.467800 reduced_to: 16 - symbol: Rb # 17 coordinates: [ 0.310423670000000, 0.166047560000000, 0.716947880000000 ] mass: 85.467800 reduced_to: 17 - symbol: Rb # 18 coordinates: [ 0.981999730000000, 0.318418260000000, 0.869945940000000 ] mass: 85.467800 reduced_to: 18 - symbol: Rb # 19 coordinates: [ 0.018000270000000, 0.681581740000000, 0.130054060000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 20 coordinates: [ 0.012752500000000, 0.623584850000000, 0.375142690000000 ] mass: 85.467800 reduced_to: 20 - symbol: Th # 21 coordinates: [ 0.318663240000000, 0.398665970000000, 0.965674910000000 ] mass: 232.038060 reduced_to: 21 - symbol: Th # 22 coordinates: [ 0.318663240000000, 0.101334030000000, 0.465674910000000 ] mass: 232.038060 reduced_to: 22 - symbol: Th # 23 coordinates: [ 0.681336760000000, 0.898665970000000, 0.534325090000000 ] mass: 232.038060 reduced_to: 23 - symbol: Th # 24 coordinates: [ 0.681336760000000, 0.601334030000000, 0.034325090000000 ] mass: 232.038060 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.470544090000000, 0.907694390000000, 0.632071320000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.147176270000000, 0.899258480000000, 0.319323310000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.147176270000000, 0.600741520000000, 0.819323310000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.215975660000000, 0.368037400000000, 0.518687700000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.852823730000000, 0.399258480000000, 0.180676690000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.784024340000000, 0.868037400000000, 0.981312300000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.529455910000000, 0.092305610000000, 0.367928680000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.784024340000000, 0.631962600000000, 0.481312300000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.215975660000000, 0.131962600000000, 0.018687700000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.852823730000000, 0.100741520000000, 0.680676690000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.470544090000000, 0.592305610000000, 0.132071320000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.529455910000000, 0.407694390000000, 0.867928680000000 ] mass: 30.973762 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.851529380000000, 0.692810610000000, 0.956730040000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.157942500000000, 0.957765530000000, 0.046817410000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.480596710000000, 0.906792520000000, 0.742210630000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.148470620000000, 0.307189390000000, 0.043269960000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.841711190000000, 0.097413990000000, 0.566231670000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.842057500000000, 0.042234470000000, 0.953182590000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.368555970000000, 0.338050100000000, 0.567181060000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.319634480000000, 0.601367750000000, 0.077018790000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.841711190000000, 0.402586010000000, 0.066231670000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.998903600000000, 0.584729210000000, 0.765616110000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.851529380000000, 0.807189390000000, 0.456730040000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.842057500000000, 0.457765530000000, 0.453182590000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.157942500000000, 0.542234470000000, 0.546817410000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.209947500000000, 0.147714360000000, 0.906108950000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.233665700000000, 0.068207290000000, 0.306723770000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.546317170000000, 0.742352340000000, 0.602320900000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.631444030000000, 0.838050100000000, 0.932818940000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.001096400000000, 0.084729210000000, 0.734383890000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.790052500000000, 0.647714360000000, 0.593891050000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.368555970000000, 0.161949900000000, 0.067181060000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 57 coordinates: [ 0.158288810000000, 0.902586010000000, 0.433768330000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.546317170000000, 0.757647660000000, 0.102320900000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 59 coordinates: [ 0.792722530000000, 0.274086230000000, 0.710566000000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 60 coordinates: [ 0.527384820000000, 0.425373190000000, 0.086055230000000 ] mass: 32.065000 reduced_to: 60 - symbol: S # 61 coordinates: [ 0.209947500000000, 0.352285640000000, 0.406108950000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.680365520000000, 0.101367750000000, 0.422981210000000 ] mass: 32.065000 reduced_to: 62 - symbol: S # 63 coordinates: [ 0.480596710000000, 0.593207480000000, 0.242210630000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 64 coordinates: [ 0.766334300000000, 0.931792710000000, 0.693276230000000 ] mass: 32.065000 reduced_to: 64 - symbol: S # 65 coordinates: [ 0.472615180000000, 0.574626810000000, 0.913944770000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 66 coordinates: [ 0.319634480000000, 0.898632250000000, 0.577018790000000 ] mass: 32.065000 reduced_to: 66 - symbol: S # 67 coordinates: [ 0.519403290000000, 0.093207480000000, 0.257789370000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.998903600000000, 0.915270790000000, 0.265616110000000 ] mass: 32.065000 reduced_to: 68 - symbol: S # 69 coordinates: [ 0.631444030000000, 0.661949900000000, 0.432818940000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 70 coordinates: [ 0.527384820000000, 0.074626810000000, 0.586055230000000 ] mass: 32.065000 reduced_to: 70 - symbol: S # 71 coordinates: [ 0.519403290000000, 0.406792520000000, 0.757789370000000 ] mass: 32.065000 reduced_to: 71 - symbol: S # 72 coordinates: [ 0.453682830000000, 0.242352340000000, 0.897679100000000 ] mass: 32.065000 reduced_to: 72 - symbol: S # 73 coordinates: [ 0.680365520000000, 0.398632250000000, 0.922981210000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.472615180000000, 0.925373190000000, 0.413944770000000 ] mass: 32.065000 reduced_to: 74 - symbol: S # 75 coordinates: [ 0.158288810000000, 0.597413990000000, 0.933768330000000 ] mass: 32.065000 reduced_to: 75 - symbol: S # 76 coordinates: [ 0.453682830000000, 0.257647660000000, 0.397679100000000 ] mass: 32.065000 reduced_to: 76 - symbol: S # 77 coordinates: [ 0.766334300000000, 0.568207290000000, 0.193276230000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 78 coordinates: [ 0.207277470000000, 0.774086230000000, 0.789434000000000 ] mass: 32.065000 reduced_to: 78 - symbol: S # 79 coordinates: [ 0.792722530000000, 0.225913770000000, 0.210566000000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 80 coordinates: [ 0.790052500000000, 0.852285640000000, 0.093891050000000 ] mass: 32.065000 reduced_to: 80 - symbol: S # 81 coordinates: [ 0.233665700000000, 0.431792710000000, 0.806723770000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 82 coordinates: [ 0.148470620000000, 0.192810610000000, 0.543269960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 83 coordinates: [ 0.001096400000000, 0.415270790000000, 0.234383890000000 ] mass: 32.065000 reduced_to: 83 - symbol: S # 84 coordinates: [ 0.207277470000000, 0.725913770000000, 0.289434000000000 ] mass: 32.065000 reduced_to: 84supercell: lattice: - [ 13.310983999999999, 0.000000000000000, -0.060730790000000 ] # a - [ 0.000000000000000, 9.935458010000000, 0.000000000000000 ] # b - [ -3.760924310000000, 0.000000000000000, 17.950136100000002 ] # c points: - symbol: Rb # 1 coordinates: [ 0.310423670000000, 0.333952440000000, 0.216947880000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.018000270000000, 0.818418260000000, 0.630054060000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.981999730000000, 0.181581740000000, 0.369945940000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.344262020000000, 0.617589460000000, 0.691775520000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.689576330000000, 0.833952440000000, 0.283052120000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.344262020000000, 0.882410540000000, 0.191775520000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.352918240000000, 0.856404690000000, 0.952730960000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.655737980000000, 0.382410540000000, 0.308224480000000 ] mass: 85.467800 reduced_to: 8 - symbol: Rb # 9 coordinates: [ 0.012752500000000, 0.876415150000000, 0.875142690000000 ] mass: 85.467800 reduced_to: 9 - symbol: Rb # 10 coordinates: [ 0.655737980000000, 0.117589460000000, 0.808224480000000 ] mass: 85.467800 reduced_to: 10 - symbol: Rb # 11 coordinates: [ 0.987247500000000, 0.376415150000000, 0.624857310000000 ] mass: 85.467800 reduced_to: 11 - symbol: Rb # 12 coordinates: [ 0.647081760000000, 0.356404690000000, 0.547269040000000 ] mass: 85.467800 reduced_to: 12 - symbol: Rb # 13 coordinates: [ 0.987247500000000, 0.123584850000000, 0.124857310000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.352918240000000, 0.643595310000000, 0.452730960000000 ] mass: 85.467800 reduced_to: 14 - symbol: Rb # 15 coordinates: [ 0.647081760000000, 0.143595310000000, 0.047269040000000 ] mass: 85.467800 reduced_to: 15 - symbol: Rb # 16 coordinates: [ 0.689576330000000, 0.666047560000000, 0.783052120000000 ] mass: 85.467800 reduced_to: 16 - symbol: Rb # 17 coordinates: [ 0.310423670000000, 0.166047560000000, 0.716947880000000 ] mass: 85.467800 reduced_to: 17 - symbol: Rb # 18 coordinates: [ 0.981999730000000, 0.318418260000000, 0.869945940000000 ] mass: 85.467800 reduced_to: 18 - symbol: Rb # 19 coordinates: [ 0.018000270000000, 0.681581740000000, 0.130054060000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 20 coordinates: [ 0.012752500000000, 0.623584850000000, 0.375142690000000 ] mass: 85.467800 reduced_to: 20 - symbol: Th # 21 coordinates: [ 0.318663240000000, 0.398665970000000, 0.965674910000000 ] mass: 232.038060 reduced_to: 21 - symbol: Th # 22 coordinates: [ 0.318663240000000, 0.101334030000000, 0.465674910000000 ] mass: 232.038060 reduced_to: 22 - symbol: Th # 23 coordinates: [ 0.681336760000000, 0.898665970000000, 0.534325090000000 ] mass: 232.038060 reduced_to: 23 - symbol: Th # 24 coordinates: [ 0.681336760000000, 0.601334030000000, 0.034325090000000 ] mass: 232.038060 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.470544090000000, 0.907694390000000, 0.632071320000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.147176270000000, 0.899258480000000, 0.319323310000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.147176270000000, 0.600741520000000, 0.819323310000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.215975660000000, 0.368037400000000, 0.518687700000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.852823730000000, 0.399258480000000, 0.180676690000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.784024340000000, 0.868037400000000, 0.981312300000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.529455910000000, 0.092305610000000, 0.367928680000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.784024340000000, 0.631962600000000, 0.481312300000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.215975660000000, 0.131962600000000, 0.018687700000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.852823730000000, 0.100741520000000, 0.680676690000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.470544090000000, 0.592305610000000, 0.132071320000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.529455910000000, 0.407694390000000, 0.867928680000000 ] mass: 30.973762 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.851529380000000, 0.692810610000000, 0.956730040000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.157942500000000, 0.957765530000000, 0.046817410000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.480596710000000, 0.906792520000000, 0.742210630000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.148470620000000, 0.307189390000000, 0.043269960000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.841711190000000, 0.097413990000000, 0.566231670000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.842057500000000, 0.042234470000000, 0.953182590000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.368555970000000, 0.338050100000000, 0.567181060000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.319634480000000, 0.601367750000000, 0.077018790000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.841711190000000, 0.402586010000000, 0.066231670000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.998903600000000, 0.584729210000000, 0.765616110000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.851529380000000, 0.807189390000000, 0.456730040000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.842057500000000, 0.457765530000000, 0.453182590000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.157942500000000, 0.542234470000000, 0.546817410000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.209947500000000, 0.147714360000000, 0.906108950000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.233665700000000, 0.068207290000000, 0.306723770000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.546317170000000, 0.742352340000000, 0.602320900000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.631444030000000, 0.838050100000000, 0.932818940000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.001096400000000, 0.084729210000000, 0.734383890000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.790052500000000, 0.647714360000000, 0.593891050000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.368555970000000, 0.161949900000000, 0.067181060000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 57 coordinates: [ 0.158288810000000, 0.902586010000000, 0.433768330000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.546317170000000, 0.757647660000000, 0.102320900000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 59 coordinates: [ 0.792722530000000, 0.274086230000000, 0.710566000000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 60 coordinates: [ 0.527384820000000, 0.425373190000000, 0.086055230000000 ] mass: 32.065000 reduced_to: 60 - symbol: S # 61 coordinates: [ 0.209947500000000, 0.352285640000000, 0.406108950000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.680365520000000, 0.101367750000000, 0.422981210000000 ] mass: 32.065000 reduced_to: 62 - symbol: S # 63 coordinates: [ 0.480596710000000, 0.593207480000000, 0.242210630000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 64 coordinates: [ 0.766334300000000, 0.931792710000000, 0.693276230000000 ] mass: 32.065000 reduced_to: 64 - symbol: S # 65 coordinates: [ 0.472615180000000, 0.574626810000000, 0.913944770000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 66 coordinates: [ 0.319634480000000, 0.898632250000000, 0.577018790000000 ] mass: 32.065000 reduced_to: 66 - symbol: S # 67 coordinates: [ 0.519403290000000, 0.093207480000000, 0.257789370000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.998903600000000, 0.915270790000000, 0.265616110000000 ] mass: 32.065000 reduced_to: 68 - symbol: S # 69 coordinates: [ 0.631444030000000, 0.661949900000000, 0.432818940000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 70 coordinates: [ 0.527384820000000, 0.074626810000000, 0.586055230000000 ] mass: 32.065000 reduced_to: 70 - symbol: S # 71 coordinates: [ 0.519403290000000, 0.406792520000000, 0.757789370000000 ] mass: 32.065000 reduced_to: 71 - symbol: S # 72 coordinates: [ 0.453682830000000, 0.242352340000000, 0.897679100000000 ] mass: 32.065000 reduced_to: 72 - symbol: S # 73 coordinates: [ 0.680365520000000, 0.398632250000000, 0.922981210000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.472615180000000, 0.925373190000000, 0.413944770000000 ] mass: 32.065000 reduced_to: 74 - symbol: S # 75 coordinates: [ 0.158288810000000, 0.597413990000000, 0.933768330000000 ] mass: 32.065000 reduced_to: 75 - symbol: S # 76 coordinates: [ 0.453682830000000, 0.257647660000000, 0.397679100000000 ] mass: 32.065000 reduced_to: 76 - symbol: S # 77 coordinates: [ 0.766334300000000, 0.568207290000000, 0.193276230000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 78 coordinates: [ 0.207277470000000, 0.774086230000000, 0.789434000000000 ] mass: 32.065000 reduced_to: 78 - symbol: S # 79 coordinates: [ 0.792722530000000, 0.225913770000000, 0.210566000000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 80 coordinates: [ 0.790052500000000, 0.852285640000000, 0.093891050000000 ] mass: 32.065000 reduced_to: 80 - symbol: S # 81 coordinates: [ 0.233665700000000, 0.431792710000000, 0.806723770000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 82 coordinates: [ 0.148470620000000, 0.192810610000000, 0.543269960000000 ] mass: 32.065000 reduced_to: 82 - symbol: S # 83 coordinates: [ 0.001096400000000, 0.415270790000000, 0.234383890000000 ] mass: 32.065000 reduced_to: 83 - symbol: S # 84 coordinates: [ 0.207277470000000, 0.725913770000000, 0.289434000000000 ] mass: 32.065000 reduced_to: 84displacements:- atom: 1 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ -0.0085340400000000, -0.0045225700000000, -0.0013304100000000 ] - [ 0.0001043300000000, -0.0000888100000000, -0.0000895600000000 ] - [ 0.0003271400000000, 0.0001591100000000, -0.0001912200000000 ] - [ 0.0001381400000000, 0.0000884300000000, -0.0002045400000000 ] - [ 0.0001190700000000, 0.0000081700000000, 0.0001773200000000 ] - [ -0.0005644700000000, -0.0001463000000000, -0.0001100900000000 ] - [ -0.0002034700000000, 0.0002789700000000, -0.0000573200000000 ] - [ 0.0013782000000000, 0.0000641200000000, 0.0007183200000000 ] - [ 0.0000237700000000, 0.0000184000000000, -0.0001197400000000 ] - [ -0.0001741100000000, 0.0001008200000000, 0.0001274300000000 ] - [ 0.0001025900000000, -0.0000043500000000, 0.0001426200000000 ] - [ 0.0001261900000000, 0.0002630500000000, 0.0000742700000000 ] - [ 0.0008491600000000, 0.0005832200000000, 0.0007676000000000 ] - [ -0.0004821800000000, -0.0002696500000000, 0.0000140400000000 ] - [ 0.0003811200000000, -0.0002839300000000, -0.0001383100000000 ] - [ -0.0002949800000000, -0.0000828100000000, 0.0001730600000000 ] - [ 0.0002639500000000, -0.0000856100000000, -0.0002338000000000 ] - [ 0.0000359100000000, -0.0000906400000000, 0.0002000000000000 ] - [ 0.0003684000000000, -0.0003829500000000, 0.0003427600000000 ] - [ 0.0002809400000000, -0.0000886700000000, -0.0004169900000000 ] - [ -0.0007113100000000, -0.0004861200000000, -0.0010715300000000 ] - [ -0.0015430200000000, -0.0000651600000000, -0.0007661900000000 ] - [ -0.0004404500000000, -0.0003118900000000, 0.0005351000000000 ] - [ 0.0009732300000000, 0.0001496400000000, 0.0000428600000000 ] - [ -0.0001540100000000, 0.0002261400000000, -0.0004535700000000 ] - [ 0.0015074800000000, 0.0003048400000000, -0.0004344200000000 ] - [ 0.0001459700000000, 0.0002991700000000, -0.0002042900000000 ] - [ 0.0002890700000000, -0.0004561700000000, -0.0012217500000000 ] - [ 0.0022982200000000, 0.0001067900000000, 0.0019718800000000 ] - [ -0.0001521000000000, -0.0002044700000000, 0.0000592300000000 ] - [ -0.0003896900000000, -0.0006596000000000, 0.0034125000000000 ] - [ -0.0000338900000000, 0.0002706200000000, 0.0000903300000000 ] - [ -0.0022801200000000, 0.0016304400000000, 0.0002553100000000 ] - [ -0.0000475600000000, 0.0002553600000000, 0.0003586000000000 ] - [ 0.0010164000000000, 0.0019560600000000, -0.0033670800000000 ] - [ 0.0000188500000000, 0.0001384300000000, 0.0002401000000000 ] - [ -0.0001643000000000, 0.0000689400000000, -0.0000044600000000 ] - [ 0.0003772200000000, -0.0003557100000000, -0.0001892300000000 ] - [ 0.0001515500000000, -0.0001647900000000, 0.0002428800000000 ] - [ 0.0022852200000000, -0.0005319000000000, 0.0013989400000000 ] - [ 0.0000603200000000, 0.0001282900000000, 0.0000250000000000 ] - [ 0.0000284100000000, 0.0000708100000000, -0.0001023600000000 ] - [ 0.0005279300000000, 0.0000466200000000, 0.0003926200000000 ] - [ 0.0007424500000000, -0.0001642900000000, 0.0005962000000000 ] - [ -0.0004228200000000, 0.0000791700000000, -0.0002139700000000 ] - [ -0.0000074400000000, -0.0000723700000000, -0.0000164800000000 ] - [ -0.0001726500000000, -0.0000981700000000, -0.0000069400000000 ] - [ -0.0000814200000000, -0.0001336700000000, -0.0000848000000000 ] - [ -0.0002315100000000, 0.0003625800000000, 0.0003377300000000 ] - [ 0.0004973300000000, -0.0001121500000000, -0.0000052100000000 ] - [ 0.0006774000000000, 0.0015598700000000, -0.0002694800000000 ] - [ 0.0001784900000000, -0.0001900900000000, -0.0001559600000000 ] - [ -0.0003007700000000, 0.0000438100000000, -0.0000844500000000 ] - [ -0.0000677400000000, -0.0000773700000000, -0.0000168600000000 ] - [ 0.0001266400000000, 0.0001876800000000, -0.0001678900000000 ] - [ 0.0023237100000000, -0.0013583000000000, -0.0012748200000000 ] - [ -0.0002210300000000, -0.0001411400000000, 0.0004182600000000 ] - [ -0.0003734900000000, 0.0001249200000000, 0.0004421000000000 ] - [ -0.0002080300000000, -0.0000647100000000, -0.0001785000000000 ] - [ -0.0008137600000000, -0.0006629300000000, 0.0006896200000000 ] - [ 0.0001029000000000, -0.0002666300000000, 0.0007378900000000 ] - [ -0.0002770000000000, 0.0001767300000000, -0.0006260700000000 ] - [ 0.0026706200000000, 0.0028168300000000, 0.0018031400000000 ] - [ -0.0002954800000000, 0.0000010600000000, -0.0000707300000000 ] - [ 0.0000252200000000, 0.0001342700000000, 0.0004491400000000 ] - [ 0.0002901300000000, -0.0000762700000000, 0.0000028100000000 ] - [ 0.0010817200000000, -0.0002234500000000, -0.0016612400000000 ] - [ -0.0002991400000000, -0.0000096900000000, 0.0000011000000000 ] - [ -0.0003190600000000, -0.0001675800000000, -0.0002660200000000 ] - [ 0.0001620900000000, 0.0000993300000000, -0.0002648500000000 ] - [ -0.0001256500000000, -0.0001507100000000, -0.0001454600000000 ] - [ -0.0000714500000000, -0.0001688700000000, 0.0001733800000000 ] - [ -0.0002490700000000, 0.0000043100000000, 0.0001901600000000 ] - [ 0.0007355800000000, 0.0003028600000000, -0.0003925500000000 ] - [ -0.0000417400000000, 0.0001627100000000, -0.0001197000000000 ] - [ 0.0009944400000000, 0.0005245400000000, 0.0001619300000000 ] - [ -0.0012309800000000, 0.0004464600000000, -0.0003951100000000 ] - [ 0.0001919700000000, -0.0000540900000000, 0.0001319100000000 ] - [ -0.0010300000000000, -0.0003984100000000, -0.0002172700000000 ] - [ 0.0000192300000000, -0.0002870600000000, -0.0001728300000000 ] - [ 0.0003035800000000, 0.0000076100000000, 0.0000656900000000 ] - [ -0.0000706400000000, -0.0001207600000000, 0.0003504400000000 ] - [ -0.0021338300000000, -0.0000193300000000, -0.0009663900000000 ] - [ -0.0000878800000000, 0.0000489600000000, 0.0001661800000000 ]- atom: 1 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0090322600000000, 0.0046770000000000, 0.0010186700000000 ] - [ -0.0000965800000000, -0.0000716600000000, -0.0000004700000000 ] - [ -0.0003350600000000, -0.0000008700000000, 0.0002844400000000 ] - [ 0.0002305700000000, 0.0001290700000000, -0.0000256500000000 ] - [ -0.0007327500000000, 0.0001618300000000, 0.0001392900000000 ] - [ 0.0009325500000000, -0.0000680000000000, -0.0001200200000000 ] - [ -0.0000410700000000, 0.0001555400000000, 0.0002105200000000 ] - [ -0.0017351200000000, -0.0002784800000000, -0.0004797700000000 ] - [ 0.0000043500000000, -0.0000205400000000, -0.0002409500000000 ] - [ -0.0001953300000000, 0.0001161100000000, 0.0001019600000000 ] - [ -0.0001294800000000, 0.0000023100000000, 0.0002182900000000 ] - [ 0.0001173800000000, 0.0001703300000000, -0.0002267900000000 ] - [ -0.0008808700000000, -0.0005878200000000, -0.0004127200000000 ] - [ 0.0002382000000000, -0.0001651000000000, 0.0001364300000000 ] - [ -0.0001386800000000, -0.0001510000000000, -0.0000159200000000 ] - [ -0.0003169600000000, -0.0000873200000000, 0.0001429700000000 ] - [ 0.0003478500000000, -0.0000848400000000, -0.0000824900000000 ] - [ -0.0000419400000000, -0.0000696800000000, -0.0001094500000000 ] - [ -0.0003599800000000, 0.0005473600000000, -0.0004349000000000 ] - [ -0.0002530000000000, 0.0000925900000000, 0.0000585500000000 ] - [ 0.0016219700000000, 0.0002876000000000, 0.0010082500000000 ] - [ 0.0024624100000000, 0.0002603400000000, 0.0006933100000000 ] - [ -0.0004777700000000, 0.0001177000000000, -0.0004640900000000 ] - [ -0.0018926100000000, 0.0000501500000000, 0.0000217600000000 ] - [ 0.0005343900000000, 0.0002655900000000, -0.0003610000000000 ] - [ -0.0014135700000000, -0.0007448300000000, 0.0000816200000000 ] - [ -0.0000573900000000, 0.0001449200000000, -0.0001510200000000 ] - [ 0.0003615200000000, -0.0002021600000000, 0.0012101200000000 ] - [ -0.0024011500000000, -0.0005527600000000, -0.0016300000000000 ] - [ -0.0005019100000000, -0.0004507600000000, -0.0000501100000000 ] - [ 0.0000054300000000, 0.0001702200000000, -0.0025918300000000 ] - [ -0.0006214300000000, 0.0003887100000000, -0.0000784600000000 ] - [ 0.0029382100000000, -0.0009688900000000, -0.0002594100000000 ] - [ -0.0000396900000000, 0.0001891500000000, 0.0000002400000000 ] - [ -0.0006434800000000, -0.0024216000000000, 0.0025532800000000 ] - [ -0.0004017500000000, 0.0003517100000000, 0.0005712900000000 ] - [ 0.0001765800000000, 0.0000980200000000, -0.0000115400000000 ] - [ -0.0006424800000000, 0.0000073900000000, 0.0002776100000000 ] - [ -0.0000363200000000, -0.0001700600000000, 0.0002013800000000 ] - [ -0.0023072000000000, 0.0003608000000000, -0.0014188500000000 ] - [ 0.0000942500000000, 0.0001788100000000, 0.0003830700000000 ] - [ 0.0002341500000000, 0.0002748200000000, 0.0000164900000000 ] - [ -0.0003286500000000, 0.0001692700000000, -0.0002232400000000 ] - [ -0.0005595200000000, 0.0002095800000000, -0.0007274700000000 ] - [ 0.0005787400000000, -0.0003874600000000, 0.0006289900000000 ] - [ -0.0000331000000000, -0.0000631700000000, -0.0001466000000000 ] - [ 0.0001857600000000, -0.0000706900000000, -0.0000105300000000 ] - [ 0.0003450300000000, -0.0002152500000000, -0.0000051700000000 ] - [ -0.0000318600000000, -0.0000145500000000, -0.0002494200000000 ] - [ -0.0009116500000000, 0.0004460500000000, 0.0001563000000000 ] - [ -0.0001106100000000, -0.0016121200000000, 0.0002748200000000 ] - [ -0.0000900000000000, -0.0002503600000000, -0.0000321100000000 ] - [ 0.0001023000000000, 0.0001698600000000, -0.0000840900000000 ] - [ 0.0001066800000000, -0.0000581300000000, 0.0001783200000000 ] - [ 0.0002888800000000, 0.0001451000000000, 0.0000138000000000 ] - [ -0.0021189800000000, 0.0011256800000000, 0.0014157400000000 ] - [ 0.0000642600000000, -0.0001678800000000, -0.0008255400000000 ] - [ 0.0004671700000000, 0.0003154800000000, -0.0006330100000000 ] - [ -0.0001523300000000, -0.0000582300000000, -0.0000712100000000 ] - [ 0.0006719100000000, 0.0004613200000000, -0.0011426500000000 ] - [ -0.0005167700000000, -0.0000646700000000, -0.0005800000000000 ] - [ 0.0001031200000000, -0.0001310900000000, 0.0007554600000000 ] - [ -0.0024938500000000, -0.0023885500000000, -0.0013503900000000 ] - [ -0.0002766700000000, 0.0000213100000000, 0.0000748100000000 ] - [ 0.0001195100000000, 0.0000577400000000, 0.0000100300000000 ] - [ -0.0001147800000000, 0.0000314200000000, -0.0001329200000000 ] - [ -0.0011527000000000, 0.0005130400000000, 0.0012314100000000 ] - [ 0.0002568700000000, 0.0001453600000000, -0.0001652700000000 ] - [ 0.0001205000000000, -0.0000486600000000, 0.0000956100000000 ] - [ -0.0003048000000000, 0.0000930500000000, -0.0001913200000000 ] - [ 0.0000110200000000, -0.0001833700000000, -0.0002956300000000 ] - [ -0.0000146000000000, -0.0002711900000000, 0.0000142900000000 ] - [ 0.0000756100000000, -0.0000480500000000, -0.0000582100000000 ] - [ -0.0005908100000000, -0.0004944500000000, 0.0008448300000000 ] - [ -0.0001135400000000, 0.0001451400000000, -0.0002912900000000 ] - [ -0.0010793300000000, -0.0000900900000000, 0.0000328500000000 ] - [ 0.0006639900000000, -0.0004733600000000, 0.0004048100000000 ] - [ 0.0001680300000000, -0.0000679100000000, 0.0001167300000000 ] - [ 0.0006728100000000, 0.0005247100000000, -0.0000303700000000 ] - [ 0.0003958300000000, -0.0000470400000000, 0.0000207200000000 ] - [ 0.0002688800000000, 0.0000147200000000, -0.0000716100000000 ] - [ 0.0000574800000000, 0.0002886300000000, -0.0003323500000000 ] - [ 0.0021842200000000, 0.0001549600000000, 0.0011347000000000 ] - [ 0.0004474900000000, 0.0000721200000000, 0.0000820400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0043612900000000, -0.0118699900000000, 0.0002262700000000 ] - [ 0.0000085200000000, -0.0000463200000000, -0.0001100300000000 ] - [ 0.0001578900000000, -0.0000464500000000, 0.0000611100000000 ] - [ 0.0001944000000000, 0.0001326500000000, -0.0002071900000000 ] - [ -0.0002282100000000, 0.0004954900000000, 0.0003753300000000 ] - [ -0.0000723200000000, 0.0022240400000000, 0.0001441000000000 ] - [ -0.0002112800000000, 0.0005428100000000, -0.0000588000000000 ] - [ 0.0000688400000000, -0.0006368100000000, 0.0003923600000000 ] - [ 0.0000522900000000, 0.0000851400000000, -0.0001790600000000 ] - [ -0.0001710600000000, 0.0000881200000000, 0.0000219300000000 ] - [ -0.0000187300000000, -0.0000333500000000, 0.0001353600000000 ] - [ 0.0000854900000000, 0.0001274500000000, -0.0001519300000000 ] - [ 0.0006297800000000, 0.0000331100000000, 0.0004687200000000 ] - [ -0.0001804500000000, 0.0000531900000000, 0.0005901500000000 ] - [ 0.0000474300000000, -0.0002825800000000, -0.0000475100000000 ] - [ -0.0003040700000000, -0.0000548300000000, 0.0000558100000000 ] - [ 0.0003059200000000, -0.0001149500000000, -0.0002226800000000 ] - [ 0.0000487400000000, -0.0001521400000000, 0.0000401100000000 ] - [ -0.0004193700000000, 0.0005009900000000, -0.0001954300000000 ] - [ -0.0000288300000000, 0.0001076900000000, -0.0000384100000000 ] - [ 0.0001942900000000, -0.0023536600000000, -0.0010683300000000 ] - [ 0.0006342300000000, -0.0002088200000000, -0.0014048400000000 ] - [ -0.0006005500000000, 0.0003609100000000, -0.0002813300000000 ] - [ 0.0002641900000000, 0.0000608100000000, -0.0003871900000000 ] - [ 0.0001709700000000, 0.0003768800000000, -0.0006543900000000 ] - [ 0.0007637000000000, 0.0037492100000000, 0.0003785500000000 ] - [ 0.0001896300000000, 0.0003403100000000, -0.0005584900000000 ] - [ 0.0004306200000000, -0.0001477900000000, 0.0002784600000000 ] - [ -0.0001757100000000, -0.0005321700000000, -0.0000454100000000 ] - [ -0.0002112300000000, -0.0001643500000000, -0.0000758600000000 ] - [ -0.0000943500000000, -0.0001140200000000, -0.0022241600000000 ] - [ -0.0001224700000000, 0.0003486200000000, 0.0000386500000000 ] - [ 0.0016928400000000, 0.0002136700000000, 0.0015866700000000 ] - [ 0.0000317900000000, 0.0001505000000000, 0.0000077300000000 ] - [ 0.0031160700000000, 0.0008909700000000, -0.0032544100000000 ] - [ -0.0002443100000000, -0.0001006900000000, 0.0000923400000000 ] - [ -0.0000811600000000, 0.0000322400000000, 0.0000668900000000 ] - [ -0.0003152400000000, -0.0003840700000000, -0.0004700100000000 ] - [ 0.0000501000000000, -0.0001866200000000, 0.0004062300000000 ] - [ -0.0000954000000000, 0.0008420600000000, -0.0002034200000000 ] - [ 0.0000462400000000, 0.0001672700000000, 0.0003848700000000 ] - [ 0.0000164800000000, 0.0000244500000000, -0.0000094300000000 ] - [ -0.0000154900000000, 0.0002712900000000, 0.0001308500000000 ] - [ -0.0006934100000000, 0.0006247700000000, 0.0006823500000000 ] - [ -0.0000120100000000, 0.0000012200000000, 0.0002029700000000 ] - [ 0.0000864100000000, -0.0000768700000000, 0.0001190700000000 ] - [ -0.0000425400000000, -0.0001854200000000, -0.0000205000000000 ] - [ 0.0001325200000000, -0.0001969700000000, -0.0000968200000000 ] - [ -0.0001753800000000, 0.0002316100000000, 0.0000785100000000 ] - [ -0.0004246600000000, 0.0003629600000000, -0.0002544100000000 ] - [ 0.0013871300000000, 0.0015251800000000, -0.0012345800000000 ] - [ 0.0000403900000000, -0.0003134100000000, -0.0000252500000000 ] - [ -0.0002168200000000, -0.0000129900000000, 0.0000248800000000 ] - [ 0.0000488600000000, -0.0000488100000000, 0.0001782700000000 ] - [ 0.0001937200000000, 0.0001169900000000, -0.0001269300000000 ] - [ -0.0011291600000000, 0.0016984600000000, 0.0010365900000000 ] - [ -0.0004262100000000, -0.0010349500000000, 0.0000302600000000 ] - [ -0.0006687900000000, -0.0001385600000000, 0.0004821900000000 ] - [ -0.0001980700000000, -0.0000241700000000, -0.0000592500000000 ] - [ -0.0007038200000000, 0.0003437200000000, 0.0004253200000000 ] - [ -0.0002655500000000, -0.0001602400000000, -0.0002282800000000 ] - [ 0.0001374500000000, -0.0000941700000000, 0.0007134500000000 ] - [ 0.0025243500000000, 0.0033885500000000, 0.0019512000000000 ] - [ -0.0002862100000000, -0.0000033100000000, 0.0000986700000000 ] - [ 0.0000523600000000, 0.0002964300000000, 0.0004056200000000 ] - [ 0.0000908100000000, -0.0001628100000000, 0.0000524200000000 ] - [ -0.0005568600000000, 0.0007646100000000, 0.0007911100000000 ] - [ -0.0002790500000000, -0.0006176000000000, -0.0002411300000000 ] - [ -0.0002358400000000, -0.0001807500000000, -0.0002024600000000 ] - [ -0.0000283000000000, 0.0000292900000000, -0.0000995000000000 ] - [ -0.0000455300000000, -0.0000837100000000, -0.0000644200000000 ] - [ -0.0000043000000000, 0.0000147400000000, 0.0002170900000000 ] - [ -0.0000906100000000, 0.0000940800000000, 0.0002437900000000 ] - [ 0.0000735600000000, -0.0003354100000000, 0.0006991300000000 ] - [ -0.0001055800000000, 0.0001852500000000, 0.0001254300000000 ] - [ -0.0003679600000000, 0.0006062300000000, 0.0001207100000000 ] - [ -0.0003961000000000, 0.0000955600000000, -0.0000099900000000 ] - [ 0.0001447400000000, -0.0001407300000000, 0.0002207500000000 ] - [ -0.0000555200000000, 0.0004129900000000, -0.0001469100000000 ] - [ 0.0000893800000000, -0.0003116000000000, -0.0000173900000000 ] - [ 0.0002729700000000, 0.0000674300000000, 0.0001479100000000 ] - [ -0.0000256600000000, 0.0002025100000000, -0.0001185600000000 ] - [ 0.0001752100000000, 0.0001872900000000, 0.0001904500000000 ] - [ 0.0007351600000000, -0.0019176900000000, -0.0003259600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0048431600000000, 0.0120630100000000, -0.0005749300000000 ] - [ -0.0000033400000000, -0.0001158600000000, 0.0000207500000000 ] - [ -0.0001639600000000, 0.0002100800000000, 0.0000286800000000 ] - [ 0.0001751100000000, 0.0000849000000000, -0.0000228500000000 ] - [ -0.0003908200000000, -0.0003314100000000, -0.0000570300000000 ] - [ 0.0004482300000000, -0.0024551400000000, -0.0003778900000000 ] - [ -0.0000335300000000, -0.0001150600000000, 0.0002144400000000 ] - [ -0.0004413900000000, 0.0004188200000000, -0.0001637500000000 ] - [ -0.0000259600000000, -0.0000878900000000, -0.0001833900000000 ] - [ -0.0001991300000000, 0.0001292200000000, 0.0002080300000000 ] - [ -0.0000074800000000, 0.0000305800000000, 0.0002263800000000 ] - [ 0.0001593100000000, 0.0002987400000000, -0.0000045700000000 ] - [ -0.0006566500000000, -0.0000268200000000, -0.0001080900000000 ] - [ -0.0000646600000000, -0.0004799400000000, -0.0004302500000000 ] - [ 0.0001966300000000, -0.0001438800000000, -0.0001091700000000 ] - [ -0.0003143800000000, -0.0001098200000000, 0.0002628700000000 ] - [ 0.0003124200000000, -0.0000498200000000, -0.0000958900000000 ] - [ -0.0000535100000000, -0.0000098200000000, 0.0000501400000000 ] - [ 0.0004216800000000, -0.0003397100000000, 0.0001031100000000 ] - [ 0.0000545300000000, -0.0001065700000000, -0.0003226700000000 ] - [ 0.0007214800000000, 0.0021465400000000, 0.0010099400000000 ] - [ 0.0002917400000000, 0.0004105900000000, 0.0013505900000000 ] - [ -0.0003194200000000, -0.0005562100000000, 0.0003451200000000 ] - [ -0.0011846000000000, 0.0001324500000000, 0.0004468800000000 ] - [ 0.0002142000000000, 0.0001127800000000, -0.0001536700000000 ] - [ -0.0006775800000000, -0.0042001100000000, -0.0007311700000000 ] - [ -0.0000992700000000, 0.0001212300000000, 0.0001890900000000 ] - [ 0.0002223200000000, -0.0005237500000000, -0.0003064300000000 ] - [ 0.0000929100000000, 0.0000722600000000, 0.0004174100000000 ] - [ -0.0004415400000000, -0.0005022800000000, 0.0000938500000000 ] - [ -0.0002897000000000, -0.0003718700000000, 0.0030388900000000 ] - [ -0.0005309500000000, 0.0003206300000000, -0.0000167100000000 ] - [ -0.0010382900000000, 0.0004703900000000, -0.0016153000000000 ] - [ -0.0001206900000000, 0.0003118300000000, 0.0003632900000000 ] - [ -0.0027095300000000, -0.0013718800000000, 0.0024365000000000 ] - [ -0.0001403000000000, 0.0005907900000000, 0.0007137700000000 ] - [ 0.0000837600000000, 0.0001298000000000, -0.0000809400000000 ] - [ 0.0000551000000000, 0.0000433000000000, 0.0005666300000000 ] - [ 0.0000623000000000, -0.0001472600000000, 0.0000392900000000 ] - [ 0.0001017800000000, -0.0010039000000000, 0.0002263100000000 ] - [ 0.0000953300000000, 0.0001225000000000, 0.0000179300000000 ] - [ 0.0002420600000000, 0.0003100300000000, -0.0000772500000000 ] - [ 0.0002197800000000, -0.0000636500000000, 0.0000384900000000 ] - [ 0.0008565400000000, -0.0005645900000000, -0.0008529900000000 ] - [ 0.0001515200000000, -0.0002901900000000, 0.0002032000000000 ] - [ -0.0001060700000000, -0.0000557500000000, -0.0002700200000000 ] - [ 0.0000458300000000, 0.0000230200000000, 0.0000048900000000 ] - [ 0.0001271100000000, -0.0001401700000000, 0.0000077100000000 ] - [ -0.0000845300000000, 0.0001073800000000, 0.0000114900000000 ] - [ 0.0000190400000000, -0.0000191000000000, 0.0004110700000000 ] - [ -0.0008864100000000, -0.0016517500000000, 0.0012997600000000 ] - [ 0.0000748600000000, -0.0001291900000000, -0.0001752400000000 ] - [ 0.0000142900000000, 0.0002190400000000, -0.0001905200000000 ] - [ -0.0000298500000000, -0.0000843700000000, -0.0000276100000000 ] - [ 0.0002138900000000, 0.0002274100000000, -0.0000337900000000 ] - [ 0.0013573300000000, -0.0019263700000000, -0.0009102600000000 ] - [ 0.0002824500000000, 0.0007400600000000, -0.0004374200000000 ] - [ 0.0007826900000000, 0.0005826900000000, -0.0006822800000000 ] - [ -0.0001461100000000, -0.0001228500000000, -0.0001982700000000 ] - [ 0.0005738100000000, -0.0005460100000000, -0.0008949200000000 ] - [ -0.0001400200000000, -0.0001826000000000, 0.0003897700000000 ] - [ -0.0002950100000000, 0.0001254800000000, -0.0005651100000000 ] - [ -0.0023008500000000, -0.0029481500000000, -0.0014889000000000 ] - [ -0.0002849200000000, 0.0000227000000000, -0.0001126500000000 ] - [ 0.0000773600000000, -0.0000900700000000, 0.0000672700000000 ] - [ 0.0000659200000000, 0.0001317900000000, -0.0002036000000000 ] - [ 0.0004789800000000, -0.0004646900000000, -0.0012259300000000 ] - [ 0.0002676900000000, 0.0007485100000000, 0.0000908100000000 ] - [ 0.0000322600000000, -0.0000269700000000, 0.0000344200000000 ] - [ -0.0001018100000000, 0.0001769700000000, -0.0003724800000000 ] - [ -0.0000673300000000, -0.0002501100000000, -0.0003792000000000 ] - [ -0.0001110600000000, -0.0004570600000000, -0.0000164300000000 ] - [ -0.0000667900000000, -0.0001244800000000, -0.0000917500000000 ] - [ 0.0000550200000000, 0.0001279600000000, -0.0002297200000000 ] - [ -0.0000361700000000, 0.0001050500000000, -0.0005294900000000 ] - [ 0.0002516300000000, -0.0001676900000000, 0.0000744000000000 ] - [ -0.0001769300000000, -0.0001145500000000, -0.0000017800000000 ] - [ 0.0001987900000000, -0.0000051400000000, 0.0000355700000000 ] - [ -0.0002894200000000, -0.0002665600000000, -0.0001099500000000 ] - [ 0.0003176300000000, -0.0000334000000000, -0.0001412100000000 ] - [ 0.0002979500000000, -0.0000479800000000, -0.0001357900000000 ] - [ 0.0000217700000000, -0.0000427100000000, 0.0001360200000000 ] - [ -0.0001628500000000, -0.0000551600000000, -0.0000422600000000 ] - [ -0.0003854000000000, 0.0020518400000000, 0.0005767900000000 ]- atom: 1 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0008825600000000, 0.0014963800000000, -0.0131170600000000 ] - [ -0.0000369800000000, -0.0001028800000000, 0.0003199400000000 ] - [ -0.0003696100000000, 0.0001059700000000, -0.0001325400000000 ] - [ 0.0001190400000000, 0.0000754200000000, 0.0003758300000000 ] - [ -0.0003696000000000, -0.0001072900000000, -0.0001839500000000 ] - [ 0.0003451100000000, 0.0000120900000000, -0.0011460400000000 ] - [ -0.0003260300000000, 0.0003994700000000, 0.0004035100000000 ] - [ 0.0001968400000000, 0.0000812900000000, -0.0003446600000000 ] - [ 0.0002196100000000, 0.0000321200000000, 0.0001425300000000 ] - [ -0.0002231100000000, 0.0002072600000000, 0.0004035100000000 ] - [ -0.0001481700000000, 0.0000473700000000, 0.0005497300000000 ] - [ 0.0003362300000000, 0.0002752400000000, 0.0002349600000000 ] - [ 0.0004547200000000, 0.0001915500000000, -0.0004834700000000 ] - [ -0.0000092800000000, 0.0002360300000000, 0.0005761700000000 ] - [ -0.0002184200000000, -0.0001570100000000, -0.0001961300000000 ] - [ -0.0002847200000000, -0.0001901300000000, 0.0004509200000000 ] - [ 0.0002360200000000, -0.0000265000000000, 0.0004584000000000 ] - [ 0.0003005200000000, -0.0000959600000000, 0.0005331800000000 ] - [ 0.0002319500000000, -0.0000538300000000, -0.0006147700000000 ] - [ -0.0003033200000000, 0.0000125800000000, -0.0003129400000000 ] - [ -0.0008433900000000, -0.0013098800000000, 0.0037642600000000 ] - [ 0.0001079300000000, -0.0013501700000000, 0.0017575500000000 ] - [ -0.0000527900000000, -0.0002501800000000, 0.0007600000000000 ] - [ -0.0014858900000000, -0.0001414000000000, -0.0001003600000000 ] - [ 0.0003066600000000, -0.0000089800000000, 0.0005221700000000 ] - [ -0.0016060600000000, -0.0013806400000000, 0.0000006800000000 ] - [ 0.0003278700000000, -0.0000670300000000, 0.0008032800000000 ] - [ 0.0003553900000000, 0.0000904700000000, 0.0022426800000000 ] - [ -0.0007567600000000, 0.0000108200000000, -0.0007334800000000 ] - [ -0.0002018500000000, -0.0002439500000000, -0.0002163900000000 ] - [ 0.0020749100000000, -0.0023774100000000, -0.0011287900000000 ] - [ -0.0003847600000000, 0.0003324500000000, 0.0002961900000000 ] - [ 0.0010271200000000, 0.0026880300000000, 0.0022798900000000 ] - [ 0.0002729900000000, 0.0004365800000000, 0.0007314600000000 ] - [ -0.0021737400000000, -0.0024153500000000, -0.0029896300000000 ] - [ -0.0008046900000000, 0.0000987500000000, 0.0012606600000000 ] - [ 0.0000394000000000, 0.0001189400000000, -0.0000005700000000 ] - [ -0.0006569700000000, -0.0011861600000000, 0.0000884800000000 ] - [ 0.0000959800000000, -0.0001341800000000, -0.0004744000000000 ] - [ 0.0014914500000000, -0.0005500300000000, 0.0021832800000000 ] - [ 0.0000058500000000, 0.0000629900000000, -0.0002308200000000 ] - [ 0.0000541200000000, 0.0001224800000000, -0.0000390500000000 ] - [ -0.0001053400000000, 0.0000325600000000, -0.0005668300000000 ] - [ 0.0009667600000000, 0.0004019000000000, 0.0007799500000000 ] - [ 0.0001871100000000, -0.0002803600000000, 0.0007599500000000 ] - [ -0.0003463100000000, -0.0000337800000000, -0.0005745300000000 ] - [ 0.0000220200000000, -0.0000362400000000, -0.0000868400000000 ] - [ 0.0001549600000000, -0.0001853600000000, -0.0000801100000000 ] - [ 0.0001980600000000, -0.0003912800000000, -0.0006015800000000 ] - [ -0.0001590700000000, -0.0000746100000000, -0.0011566300000000 ] - [ -0.0004045300000000, -0.0019188900000000, 0.0010206200000000 ] - [ -0.0000436000000000, -0.0001321600000000, -0.0003418700000000 ] - [ -0.0000777000000000, 0.0001255900000000, -0.0000700300000000 ] - [ -0.0002521300000000, -0.0000794100000000, -0.0003119600000000 ] - [ 0.0002072500000000, 0.0001965400000000, -0.0002765100000000 ] - [ -0.0015014900000000, 0.0014216500000000, 0.0021201800000000 ] - [ 0.0002957500000000, 0.0001660800000000, -0.0003600600000000 ] - [ 0.0004537900000000, 0.0003352900000000, 0.0004946900000000 ] - [ -0.0002223400000000, -0.0001831600000000, -0.0004414000000000 ] - [ 0.0008780500000000, 0.0006018300000000, -0.0002249100000000 ] - [ -0.0004808100000000, -0.0001730600000000, -0.0014123400000000 ] - [ -0.0007562000000000, 0.0004280400000000, 0.0001057800000000 ] - [ 0.0004236400000000, 0.0006636500000000, 0.0020960600000000 ] - [ -0.0004313200000000, -0.0000643400000000, -0.0003670400000000 ] - [ 0.0005189000000000, 0.0001091700000000, -0.0001555200000000 ] - [ -0.0000235300000000, 0.0002406200000000, -0.0005938500000000 ] - [ -0.0009033900000000, 0.0007729800000000, 0.0010272500000000 ] - [ 0.0008730100000000, 0.0001910000000000, 0.0004095000000000 ] - [ -0.0001895500000000, -0.0001307300000000, -0.0001894400000000 ] - [ -0.0001764900000000, 0.0003725600000000, -0.0005258500000000 ] - [ 0.0001739500000000, -0.0000858700000000, -0.0008826100000000 ] - [ 0.0004538900000000, -0.0001356100000000, -0.0003250700000000 ] - [ 0.0001559300000000, -0.0000360900000000, -0.0001452700000000 ] - [ -0.0003437600000000, 0.0004961200000000, 0.0002518200000000 ] - [ -0.0002671900000000, 0.0003847900000000, -0.0009577600000000 ] - [ 0.0004375100000000, 0.0009957700000000, 0.0026692500000000 ] - [ 0.0000604500000000, -0.0001592300000000, 0.0005297400000000 ] - [ 0.0002675100000000, 0.0001793300000000, -0.0003571700000000 ] - [ -0.0000608400000000, -0.0000571400000000, 0.0002704600000000 ] - [ 0.0002648200000000, -0.0000949400000000, 0.0000848000000000 ] - [ 0.0002396800000000, 0.0001232200000000, -0.0006943600000000 ] - [ 0.0003818800000000, 0.0005501900000000, -0.0008056800000000 ] - [ 0.0005232100000000, 0.0001154300000000, 0.0008711700000000 ] - [ 0.0003813000000000, 0.0003626600000000, 0.0003197800000000 ]- atom: 1 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ -0.0002968800000000, -0.0011728400000000, 0.0129841500000000 ] - [ 0.0000542200000000, -0.0000544500000000, -0.0004162900000000 ] - [ 0.0003503500000000, 0.0000508300000000, 0.0002269300000000 ] - [ 0.0002476600000000, 0.0001427000000000, -0.0006049700000000 ] - [ -0.0002337300000000, 0.0002834200000000, 0.0004963000000000 ] - [ 0.0000214000000000, -0.0002278200000000, 0.0009187700000000 ] - [ 0.0000842800000000, 0.0000403300000000, -0.0002548900000000 ] - [ -0.0005671000000000, -0.0002990000000000, 0.0005704600000000 ] - [ -0.0001917200000000, -0.0000326200000000, -0.0005018800000000 ] - [ -0.0001431500000000, 0.0000101800000000, -0.0001735900000000 ] - [ 0.0001189900000000, -0.0000478400000000, -0.0001900500000000 ] - [ -0.0000934600000000, 0.0001644100000000, -0.0003834000000000 ] - [ -0.0004815100000000, -0.0001896300000000, 0.0008453100000000 ] - [ -0.0002324400000000, -0.0006717300000000, -0.0004262300000000 ] - [ 0.0004611800000000, -0.0002832900000000, 0.0000483700000000 ] - [ -0.0003169900000000, 0.0000138900000000, -0.0001374300000000 ] - [ 0.0003661000000000, -0.0001501100000000, -0.0007709000000000 ] - [ -0.0003182500000000, -0.0000615100000000, -0.0004369400000000 ] - [ -0.0002128300000000, 0.0002094500000000, 0.0005202200000000 ] - [ 0.0003306600000000, -0.0000110500000000, -0.0000480300000000 ] - [ 0.0017626400000000, 0.0011192400000000, -0.0038793800000000 ] - [ 0.0008061600000000, 0.0015373400000000, -0.0018298500000000 ] - [ -0.0008565600000000, 0.0000509700000000, -0.0006839100000000 ] - [ 0.0005769400000000, 0.0003427400000000, 0.0001792700000000 ] - [ 0.0000677500000000, 0.0004989200000000, -0.0013322400000000 ] - [ 0.0016978300000000, 0.0009477200000000, -0.0003438500000000 ] - [ -0.0002423800000000, 0.0004980900000000, -0.0011532400000000 ] - [ 0.0002972500000000, -0.0007336200000000, -0.0022242100000000 ] - [ 0.0006737700000000, -0.0004412100000000, 0.0010898400000000 ] - [ -0.0004502500000000, -0.0003982500000000, 0.0002147400000000 ] - [ -0.0024415800000000, 0.0018820400000000, 0.0019231400000000 ] - [ -0.0002670500000000, 0.0003101200000000, -0.0002990800000000 ] - [ -0.0003752500000000, -0.0020551800000000, -0.0022926600000000 ] - [ -0.0003597800000000, -0.0000054200000000, -0.0003818200000000 ] - [ 0.0025499600000000, 0.0019380300000000, 0.0022068800000000 ] - [ 0.0004319300000000, 0.0003915200000000, -0.0004498300000000 ] - [ -0.0000241300000000, 0.0000517800000000, -0.0000133300000000 ] - [ 0.0003933200000000, 0.0008365100000000, -0.0000039700000000 ] - [ 0.0000264600000000, -0.0002015800000000, 0.0008991400000000 ] - [ -0.0015618200000000, 0.0003683200000000, -0.0022762500000000 ] - [ 0.0001536000000000, 0.0002560600000000, 0.0006422300000000 ] - [ 0.0002112800000000, 0.0002309400000000, -0.0000471700000000 ] - [ 0.0002991900000000, 0.0001843000000000, 0.0007305600000000 ] - [ -0.0007568900000000, -0.0003241500000000, -0.0009297500000000 ] - [ -0.0000279100000000, -0.0000385700000000, -0.0003498300000000 ] - [ 0.0002894700000000, -0.0001065600000000, 0.0004010200000000 ] - [ -0.0000077000000000, -0.0001356300000000, 0.0000739700000000 ] - [ 0.0001105100000000, -0.0001676800000000, -0.0000056800000000 ] - [ -0.0004614300000000, 0.0007415100000000, 0.0006840200000000 ] - [ -0.0002586700000000, 0.0004059900000000, 0.0013005100000000 ] - [ 0.0009558800000000, 0.0018439500000000, -0.0010316600000000 ] - [ 0.0001043200000000, -0.0002959800000000, 0.0001630700000000 ] - [ -0.0001174200000000, 0.0000897400000000, -0.0000975100000000 ] - [ 0.0003096600000000, -0.0000610100000000, 0.0004853800000000 ] - [ 0.0002112600000000, 0.0001333400000000, 0.0001325800000000 ] - [ 0.0017505400000000, -0.0017187500000000, -0.0020665700000000 ] - [ -0.0004567000000000, -0.0004848600000000, -0.0000458600000000 ] - [ -0.0003911600000000, 0.0000937900000000, -0.0006785000000000 ] - [ -0.0001564200000000, 0.0000828200000000, 0.0001972800000000 ] - [ -0.0010376300000000, -0.0007827200000000, -0.0002194500000000 ] - [ 0.0000556500000000, -0.0001529400000000, 0.0015566000000000 ] - [ 0.0005516500000000, -0.0003715200000000, 0.0000101900000000 ] - [ -0.0003082300000000, -0.0003378600000000, -0.0016883700000000 ] - [ -0.0001461400000000, 0.0000881400000000, 0.0003837200000000 ] - [ -0.0003637700000000, 0.0000647300000000, 0.0005968900000000 ] - [ 0.0002260500000000, -0.0002956200000000, 0.0004788800000000 ] - [ 0.0007761600000000, -0.0004360200000000, -0.0014415300000000 ] - [ -0.0009280100000000, -0.0000495300000000, -0.0005820300000000 ] - [ -0.0000057100000000, -0.0000848300000000, 0.0000228700000000 ] - [ 0.0000192100000000, -0.0001972000000000, 0.0000850600000000 ] - [ -0.0002969800000000, -0.0002496100000000, 0.0004576500000000 ] - [ -0.0005159500000000, -0.0002927500000000, 0.0005038800000000 ] - [ -0.0003597100000000, -0.0000189700000000, 0.0002589300000000 ] - [ 0.0004978800000000, -0.0006686900000000, 0.0001901400000000 ] - [ 0.0001077600000000, -0.0000659600000000, 0.0005463100000000 ] - [ -0.0004593600000000, -0.0005957500000000, -0.0023883000000000 ] - [ -0.0006391000000000, 0.0001351300000000, -0.0005148100000000 ] - [ 0.0001114000000000, -0.0002794300000000, 0.0006012200000000 ] - [ -0.0003189500000000, 0.0001566900000000, -0.0005159800000000 ] - [ 0.0001531600000000, -0.0002359200000000, -0.0002301800000000 ] - [ 0.0003381100000000, -0.0001000000000000, 0.0006776900000000 ] - [ -0.0003952300000000, -0.0003744000000000, 0.0008148600000000 ] - [ -0.0004716400000000, 0.0000249400000000, -0.0007010800000000 ] - [ -0.0000040200000000, -0.0002605100000000, -0.0000765400000000 ]- atom: 2 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0004083400000000, 0.0000877100000000, -0.0001883300000000 ] - [ -0.0107457800000000, 0.0001642900000000, -0.0034418200000000 ] - [ -0.0003401800000000, 0.0001256000000000, 0.0000305000000000 ] - [ 0.0014137100000000, -0.0005278800000000, 0.0002808400000000 ] - [ -0.0002679400000000, 0.0000302100000000, 0.0004824800000000 ] - [ 0.0002909100000000, -0.0001078800000000, -0.0000964700000000 ] - [ -0.0000033700000000, 0.0002591500000000, 0.0002854100000000 ] - [ -0.0001186100000000, -0.0000431500000000, 0.0003381800000000 ] - [ -0.0003698900000000, 0.0000775400000000, -0.0006495800000000 ] - [ 0.0001066900000000, 0.0000100700000000, -0.0000982300000000 ] - [ -0.0008391500000000, 0.0000218600000000, 0.0001462200000000 ] - [ 0.0005923200000000, 0.0003633000000000, -0.0000165000000000 ] - [ -0.0000741700000000, 0.0000180600000000, 0.0001431000000000 ] - [ 0.0002748600000000, -0.0001910800000000, -0.0000451200000000 ] - [ 0.0001563900000000, -0.0002251300000000, -0.0000620800000000 ] - [ 0.0000230500000000, 0.0000785500000000, -0.0001364900000000 ] - [ 0.0006714000000000, 0.0003399700000000, 0.0001467500000000 ] - [ -0.0001107100000000, -0.0002003300000000, -0.0001639800000000 ] - [ -0.0000646900000000, 0.0000668900000000, -0.0000748700000000 ] - [ -0.0004693900000000, -0.0000195300000000, -0.0003244400000000 ] - [ 0.0007586600000000, -0.0002103100000000, 0.0002563400000000 ] - [ 0.0016282300000000, 0.0002069900000000, -0.0006533100000000 ] - [ 0.0037272800000000, -0.0011860100000000, 0.0019646700000000 ] - [ -0.0003460600000000, 0.0001528200000000, 0.0001046700000000 ] - [ 0.0021393100000000, -0.0001092100000000, 0.0003817700000000 ] - [ -0.0002665300000000, -0.0003796200000000, -0.0011839000000000 ] - [ -0.0025746000000000, -0.0025348600000000, 0.0002144100000000 ] - [ 0.0017288200000000, -0.0014553200000000, -0.0003278600000000 ] - [ -0.0002547100000000, -0.0002516300000000, 0.0001654900000000 ] - [ -0.0002168900000000, -0.0002270100000000, -0.0000356700000000 ] - [ 0.0005796000000000, -0.0004446400000000, 0.0006765300000000 ] - [ 0.0000744400000000, 0.0013229900000000, 0.0023844300000000 ] - [ 0.0004065600000000, 0.0003304600000000, 0.0000312800000000 ] - [ -0.0003965700000000, -0.0030530900000000, -0.0018303800000000 ] - [ 0.0002474600000000, -0.0002264300000000, -0.0001523200000000 ] - [ -0.0000484400000000, 0.0002240800000000, 0.0004180900000000 ] - [ -0.0000284000000000, 0.0000494900000000, 0.0000537300000000 ] - [ -0.0000892100000000, -0.0001274800000000, 0.0000297700000000 ] - [ -0.0004970600000000, -0.0001195400000000, 0.0002327800000000 ] - [ 0.0000017500000000, -0.0000452600000000, -0.0000120700000000 ] - [ 0.0004523500000000, 0.0003379000000000, 0.0005065900000000 ] - [ 0.0000965500000000, 0.0001034300000000, 0.0000493500000000 ] - [ -0.0004286400000000, 0.0003347200000000, 0.0001054700000000 ] - [ 0.0000111800000000, -0.0000025600000000, -0.0002081100000000 ] - [ 0.0001183300000000, -0.0001511400000000, 0.0001739000000000 ] - [ 0.0020352000000000, 0.0014298900000000, -0.0007769900000000 ] - [ 0.0007071000000000, -0.0002029700000000, 0.0007569600000000 ] - [ 0.0005212400000000, -0.0008264800000000, -0.0005710500000000 ] - [ -0.0005747700000000, 0.0009059900000000, 0.0001406700000000 ] - [ -0.0002009700000000, 0.0001601400000000, 0.0000051700000000 ] - [ 0.0001424600000000, -0.0001031100000000, 0.0003406300000000 ] - [ -0.0008883300000000, -0.0000496300000000, 0.0001260300000000 ] - [ -0.0001646100000000, 0.0000778500000000, -0.0000424100000000 ] - [ 0.0013643200000000, -0.0009875000000000, -0.0001658100000000 ] - [ 0.0038823100000000, 0.0025384500000000, -0.0003779000000000 ] - [ 0.0000613900000000, -0.0000871600000000, 0.0000644400000000 ] - [ -0.0000337900000000, -0.0000922900000000, 0.0004625300000000 ] - [ 0.0000036000000000, 0.0002043700000000, -0.0001668400000000 ] - [ 0.0000014000000000, 0.0003154700000000, 0.0003507500000000 ] - [ -0.0001144800000000, -0.0001341500000000, -0.0003132000000000 ] - [ -0.0006187100000000, 0.0001039800000000, 0.0006533100000000 ] - [ -0.0005681100000000, 0.0002329500000000, -0.0003067600000000 ] - [ 0.0000405700000000, 0.0001656800000000, 0.0000625100000000 ] - [ -0.0010468700000000, 0.0009714600000000, 0.0001584600000000 ] - [ -0.0000585100000000, 0.0001487600000000, 0.0002304900000000 ] - [ -0.0014441500000000, -0.0001552800000000, -0.0004355800000000 ] - [ -0.0002682800000000, 0.0002213100000000, -0.0004119900000000 ] - [ 0.0002706700000000, 0.0000583500000000, 0.0001138500000000 ] - [ -0.0008190800000000, -0.0000802000000000, -0.0008479900000000 ] - [ -0.0012752500000000, 0.0000365300000000, -0.0001947400000000 ] - [ -0.0002246900000000, -0.0001198400000000, -0.0002900200000000 ] - [ -0.0001679900000000, -0.0002326400000000, 0.0001057700000000 ] - [ -0.0002146000000000, -0.0000042800000000, 0.0000470700000000 ] - [ -0.0004918000000000, 0.0000160500000000, 0.0002140700000000 ] - [ 0.0002724700000000, 0.0006303600000000, -0.0005605100000000 ] - [ -0.0005504700000000, 0.0002784200000000, 0.0002039900000000 ] - [ -0.0002228600000000, -0.0000527800000000, -0.0000898900000000 ] - [ 0.0026566600000000, 0.0009306000000000, 0.0014851800000000 ] - [ -0.0000798800000000, 0.0000969600000000, -0.0001757400000000 ] - [ 0.0001749800000000, -0.0001918900000000, -0.0000471800000000 ] - [ 0.0005753400000000, 0.0004351000000000, -0.0001368500000000 ] - [ -0.0003244200000000, 0.0001963200000000, 0.0000491000000000 ] - [ 0.0001467100000000, 0.0000813100000000, 0.0000907800000000 ] - [ 0.0001390100000000, 0.0002168900000000, 0.0003484600000000 ]- atom: 2 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0002136900000000, 0.0000750800000000, -0.0001326000000000 ] - [ 0.0109290600000000, -0.0002468300000000, 0.0033849200000000 ] - [ 0.0003388200000000, 0.0000373200000000, 0.0000569500000000 ] - [ -0.0010359300000000, 0.0007386100000000, -0.0005057200000000 ] - [ -0.0003537000000000, 0.0001322700000000, -0.0001630200000000 ] - [ 0.0000793600000000, -0.0001098000000000, -0.0001340600000000 ] - [ -0.0002431500000000, 0.0001666900000000, -0.0001298700000000 ] - [ -0.0002514600000000, -0.0001741200000000, -0.0001087900000000 ] - [ 0.0003989300000000, -0.0000805300000000, 0.0002828600000000 ] - [ -0.0004768400000000, 0.0002085200000000, 0.0003289100000000 ] - [ 0.0008138600000000, -0.0000213000000000, 0.0002176200000000 ] - [ -0.0003456300000000, 0.0000632100000000, -0.0001395700000000 ] - [ 0.0000482300000000, -0.0000154300000000, 0.0002184100000000 ] - [ -0.0005202100000000, -0.0002357500000000, 0.0002003400000000 ] - [ 0.0000886700000000, -0.0002013100000000, -0.0000945300000000 ] - [ -0.0006447600000000, -0.0002428500000000, 0.0004575100000000 ] - [ -0.0000497300000000, -0.0004994500000000, -0.0004643900000000 ] - [ 0.0001109000000000, 0.0000372300000000, 0.0002490400000000 ] - [ 0.0000656800000000, 0.0000966300000000, -0.0000130400000000 ] - [ 0.0004949500000000, 0.0000228400000000, -0.0000362200000000 ] - [ 0.0001611200000000, 0.0000140500000000, -0.0003189300000000 ] - [ -0.0007067900000000, -0.0000060700000000, 0.0005875400000000 ] - [ -0.0046791900000000, 0.0010015200000000, -0.0019269700000000 ] - [ -0.0005766600000000, 0.0000422200000000, -0.0000466300000000 ] - [ -0.0017444000000000, 0.0005994100000000, -0.0011830500000000 ] - [ 0.0003559100000000, -0.0000784000000000, 0.0008136700000000 ] - [ 0.0026539500000000, 0.0029969300000000, -0.0005890200000000 ] - [ -0.0010697200000000, 0.0007841500000000, 0.0003050000000000 ] - [ 0.0001664800000000, -0.0002086200000000, 0.0002003000000000 ] - [ -0.0004353300000000, -0.0004383500000000, 0.0000547800000000 ] - [ -0.0009620600000000, -0.0000463700000000, 0.0001311500000000 ] - [ -0.0007283200000000, -0.0006537500000000, -0.0023676600000000 ] - [ 0.0002448800000000, 0.0003350400000000, -0.0000554600000000 ] - [ 0.0003255600000000, 0.0035445300000000, 0.0022113600000000 ] - [ 0.0001352600000000, -0.0002654700000000, -0.0006575500000000 ] - [ -0.0003373200000000, 0.0002688800000000, 0.0003911100000000 ] - [ 0.0000296100000000, 0.0001117600000000, -0.0000683700000000 ] - [ -0.0001705300000000, -0.0002098700000000, 0.0000603300000000 ] - [ 0.0006073400000000, -0.0002149400000000, 0.0002158200000000 ] - [ -0.0000035800000000, -0.0001140400000000, 0.0000293100000000 ] - [ -0.0003386300000000, -0.0000296400000000, -0.0001133400000000 ] - [ 0.0001622500000000, 0.0002318300000000, -0.0001368100000000 ] - [ 0.0006330000000000, -0.0001282900000000, 0.0000635100000000 ] - [ 0.0001445900000000, 0.0000323300000000, 0.0000565200000000 ] - [ 0.0000211000000000, -0.0001381500000000, 0.0002337700000000 ] - [ -0.0020455700000000, -0.0015678900000000, 0.0006327200000000 ] - [ -0.0007138700000000, 0.0000384300000000, -0.0007904800000000 ] - [ -0.0002633100000000, 0.0004894700000000, 0.0004833800000000 ] - [ 0.0003158000000000, -0.0005747600000000, -0.0000544200000000 ] - [ -0.0002048000000000, 0.0001871300000000, 0.0001564200000000 ] - [ 0.0004262900000000, 0.0000815300000000, -0.0003258000000000 ] - [ 0.0010045900000000, -0.0003926900000000, -0.0003265400000000 ] - [ -0.0000379500000000, 0.0001265700000000, -0.0001237600000000 ] - [ -0.0013468600000000, 0.0008467400000000, 0.0003048700000000 ] - [ -0.0036255500000000, -0.0022930600000000, 0.0001783700000000 ] - [ 0.0001445400000000, -0.0001176100000000, 0.0001051800000000 ] - [ -0.0001056400000000, -0.0001977300000000, -0.0008675100000000 ] - [ 0.0001156700000000, 0.0002397800000000, -0.0000327000000000 ] - [ -0.0003495500000000, -0.0004626300000000, -0.0006080700000000 ] - [ -0.0000130100000000, -0.0000733900000000, -0.0001590500000000 ] - [ 0.0002113900000000, -0.0004489000000000, -0.0004935500000000 ] - [ 0.0004110600000000, -0.0002035900000000, 0.0004590800000000 ] - [ 0.0000718600000000, 0.0001685600000000, 0.0003874300000000 ] - [ 0.0004590500000000, -0.0009569700000000, -0.0001730900000000 ] - [ 0.0001877500000000, 0.0000579200000000, 0.0002433600000000 ] - [ 0.0015907300000000, 0.0001231900000000, 0.0002816700000000 ] - [ 0.0001553300000000, 0.0001134000000000, -0.0000356100000000 ] - [ -0.0002878100000000, 0.0000720100000000, -0.0002641600000000 ] - [ 0.0006157700000000, -0.0001248600000000, 0.0006806000000000 ] - [ 0.0011433100000000, 0.0001683600000000, -0.0002772400000000 ] - [ 0.0001122000000000, -0.0002140500000000, -0.0001595300000000 ] - [ 0.0000501600000000, -0.0002119500000000, 0.0000947800000000 ] - [ 0.0000600200000000, -0.0000250800000000, 0.0001061700000000 ] - [ 0.0006203000000000, -0.0002237300000000, 0.0002586300000000 ] - [ -0.0004122800000000, -0.0003412700000000, 0.0001577400000000 ] - [ 0.0004318700000000, 0.0001642300000000, -0.0000039200000000 ] - [ -0.0003466500000000, 0.0000319800000000, 0.0000783700000000 ] - [ -0.0022857700000000, -0.0010857300000000, -0.0011710900000000 ] - [ -0.0002628400000000, 0.0000502900000000, -0.0000799600000000 ] - [ 0.0002319000000000, -0.0001543900000000, -0.0001122900000000 ] - [ -0.0000032300000000, -0.0004165400000000, 0.0001498400000000 ] - [ 0.0003213300000000, -0.0000335200000000, -0.0000334400000000 ] - [ -0.0001288700000000, 0.0000504800000000, 0.0000610600000000 ] - [ 0.0002033800000000, -0.0000714400000000, -0.0000926300000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003012200000000, 0.0001158100000000, -0.0001872100000000 ] - [ 0.0002859700000000, -0.0143816300000000, -0.0032408100000000 ] - [ 0.0000422700000000, 0.0002385600000000, -0.0001580100000000 ] - [ -0.0005099300000000, 0.0001313900000000, -0.0002738500000000 ] - [ -0.0002989700000000, 0.0000096900000000, 0.0001801500000000 ] - [ 0.0001819300000000, -0.0001465900000000, -0.0001588000000000 ] - [ -0.0001915000000000, 0.0001384400000000, 0.0000186200000000 ] - [ -0.0001615100000000, -0.0000264900000000, 0.0001149200000000 ] - [ 0.0000759400000000, -0.0005428400000000, 0.0002126000000000 ] - [ -0.0003836900000000, 0.0001383400000000, 0.0002952800000000 ] - [ 0.0004264600000000, 0.0026647300000000, 0.0001809200000000 ] - [ -0.0000078800000000, 0.0005723600000000, -0.0002311200000000 ] - [ -0.0000010800000000, 0.0000144300000000, 0.0001773400000000 ] - [ -0.0002408800000000, -0.0003287800000000, 0.0001234200000000 ] - [ 0.0001018500000000, -0.0002016000000000, -0.0000741300000000 ] - [ -0.0002294200000000, -0.0002093200000000, 0.0002049800000000 ] - [ 0.0007777500000000, 0.0003391300000000, 0.0000731900000000 ] - [ 0.0001191700000000, 0.0004039600000000, 0.0002581000000000 ] - [ 0.0000155700000000, 0.0000660700000000, -0.0000686300000000 ] - [ -0.0000351300000000, -0.0000395300000000, 0.0002074300000000 ] - [ 0.0001539800000000, 0.0003809400000000, -0.0002923900000000 ] - [ 0.0005204700000000, 0.0005386400000000, -0.0002714900000000 ] - [ -0.0015852700000000, -0.0024941100000000, -0.0010096100000000 ] - [ -0.0005433600000000, 0.0000701000000000, 0.0000682600000000 ] - [ 0.0002611000000000, 0.0001090800000000, -0.0001843000000000 ] - [ 0.0000280300000000, -0.0002378200000000, -0.0005368500000000 ] - [ -0.0026445200000000, 0.0001493900000000, -0.0020584000000000 ] - [ -0.0000613600000000, 0.0033177400000000, 0.0002973000000000 ] - [ -0.0000195400000000, -0.0001779000000000, 0.0001939300000000 ] - [ -0.0003717500000000, -0.0005752800000000, 0.0000568800000000 ] - [ -0.0005654300000000, -0.0000982600000000, 0.0003365800000000 ] - [ -0.0000591400000000, 0.0001126800000000, 0.0021129800000000 ] - [ 0.0002213200000000, 0.0003138600000000, 0.0001568500000000 ] - [ -0.0042861000000000, 0.0024016500000000, 0.0007399600000000 ] - [ 0.0000344200000000, -0.0002761500000000, -0.0004081800000000 ] - [ -0.0003201900000000, 0.0002771500000000, 0.0005451000000000 ] - [ -0.0000209500000000, 0.0001769100000000, -0.0000217400000000 ] - [ -0.0001494200000000, -0.0001773200000000, 0.0000340900000000 ] - [ 0.0001138500000000, -0.0000742300000000, 0.0001607100000000 ] - [ 0.0000007500000000, -0.0001535900000000, -0.0000110300000000 ] - [ 0.0009507000000000, 0.0009707000000000, 0.0001015100000000 ] - [ 0.0001969500000000, 0.0002972100000000, -0.0001404300000000 ] - [ 0.0002521100000000, -0.0006060700000000, 0.0000371800000000 ] - [ 0.0002070000000000, 0.0000238300000000, -0.0001000500000000 ] - [ 0.0000698800000000, -0.0001577000000000, 0.0001972600000000 ] - [ 0.0015860800000000, 0.0020859600000000, -0.0010869300000000 ] - [ -0.0001513900000000, 0.0007901300000000, -0.0004107200000000 ] - [ -0.0000696500000000, -0.0002710400000000, -0.0004233200000000 ] - [ 0.0004669800000000, -0.0016754300000000, -0.0002900700000000 ] - [ -0.0002022900000000, 0.0001211600000000, -0.0000520700000000 ] - [ 0.0002568100000000, -0.0001239000000000, 0.0000740000000000 ] - [ 0.0002174100000000, 0.0000791000000000, -0.0000457400000000 ] - [ -0.0000889800000000, 0.0001641900000000, -0.0001214000000000 ] - [ -0.0002392900000000, 0.0054111300000000, 0.0045367400000000 ] - [ 0.0021004400000000, 0.0022122900000000, -0.0004049700000000 ] - [ 0.0000832300000000, -0.0001571800000000, 0.0000481700000000 ] - [ -0.0000744500000000, -0.0001287600000000, 0.0000220900000000 ] - [ 0.0001171900000000, 0.0002330800000000, -0.0001044600000000 ] - [ 0.0006539700000000, -0.0010309200000000, -0.0003195300000000 ] - [ 0.0000111600000000, -0.0001148000000000, -0.0002304000000000 ] - [ -0.0000748500000000, -0.0009567700000000, 0.0000174500000000 ] - [ 0.0001949500000000, 0.0000237800000000, 0.0000497800000000 ] - [ 0.0001075300000000, 0.0001764400000000, 0.0003147100000000 ] - [ 0.0008047400000000, 0.0006043400000000, 0.0000807300000000 ] - [ 0.0001791800000000, 0.0000661100000000, 0.0002021400000000 ] - [ -0.0001336200000000, 0.0000204700000000, -0.0001381900000000 ] - [ 0.0000426200000000, 0.0001368000000000, 0.0000156700000000 ] - [ 0.0000310200000000, 0.0000985000000000, -0.0000141300000000 ] - [ -0.0002631300000000, 0.0001787900000000, -0.0005153700000000 ] - [ 0.0000936900000000, 0.0000662200000000, -0.0001995300000000 ] - [ 0.0000376900000000, -0.0002401100000000, -0.0003222200000000 ] - [ 0.0000875000000000, -0.0003160300000000, 0.0000552100000000 ] - [ -0.0000166000000000, -0.0000496000000000, 0.0000383100000000 ] - [ 0.0001854700000000, -0.0000736000000000, 0.0002876400000000 ] - [ 0.0003880400000000, -0.0000187500000000, 0.0004108600000000 ] - [ 0.0000355300000000, 0.0001400100000000, 0.0001038700000000 ] - [ -0.0002767100000000, -0.0000201100000000, -0.0000231500000000 ] - [ 0.0006748500000000, 0.0009004300000000, 0.0003013300000000 ] - [ -0.0001764100000000, 0.0000343200000000, -0.0001156200000000 ] - [ 0.0002186500000000, -0.0001070700000000, -0.0000972400000000 ] - [ 0.0007922700000000, -0.0002757500000000, 0.0003220500000000 ] - [ -0.0003967700000000, -0.0012351200000000, 0.0001055500000000 ] - [ -0.0000003100000000, 0.0000261600000000, 0.0000594100000000 ] - [ 0.0001457800000000, 0.0001579800000000, 0.0002108300000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003209900000000, 0.0000465900000000, -0.0001334500000000 ] - [ -0.0000982600000000, 0.0140870200000000, 0.0029273000000000 ] - [ -0.0000442600000000, -0.0000761300000000, 0.0002435000000000 ] - [ 0.0008795600000000, 0.0000903100000000, 0.0000446500000000 ] - [ -0.0003224800000000, 0.0001524300000000, 0.0001399600000000 ] - [ 0.0001880800000000, -0.0000711000000000, -0.0000713300000000 ] - [ -0.0000543600000000, 0.0002878100000000, 0.0001365500000000 ] - [ -0.0002087500000000, -0.0001907100000000, 0.0001145400000000 ] - [ -0.0000486000000000, 0.0005387200000000, -0.0005775800000000 ] - [ 0.0000129800000000, 0.0000788900000000, -0.0000654300000000 ] - [ -0.0004577800000000, -0.0026848600000000, 0.0001816200000000 ] - [ 0.0002530300000000, -0.0001445900000000, 0.0000746700000000 ] - [ -0.0000248900000000, -0.0000119700000000, 0.0001845000000000 ] - [ -0.0000038700000000, -0.0000962400000000, 0.0000325600000000 ] - [ 0.0001429600000000, -0.0002251400000000, -0.0000823200000000 ] - [ -0.0003923300000000, 0.0000468700000000, 0.0001145400000000 ] - [ -0.0001521100000000, -0.0005017700000000, -0.0003906700000000 ] - [ -0.0001203700000000, -0.0005663600000000, -0.0001709800000000 ] - [ -0.0000137300000000, 0.0000973600000000, -0.0000192900000000 ] - [ 0.0000609800000000, 0.0000446900000000, -0.0005691900000000 ] - [ 0.0007680800000000, -0.0005767500000000, 0.0002313200000000 ] - [ 0.0004063500000000, -0.0003526400000000, 0.0002102900000000 ] - [ 0.0006669000000000, 0.0022880600000000, 0.0010704600000000 ] - [ -0.0003805100000000, 0.0001246000000000, -0.0000102200000000 ] - [ 0.0001216100000000, 0.0003827300000000, -0.0006297100000000 ] - [ 0.0000618800000000, -0.0002173000000000, 0.0001734500000000 ] - [ 0.0027383400000000, 0.0003182300000000, 0.0016946900000000 ] - [ 0.0007233600000000, -0.0039861100000000, -0.0003234800000000 ] - [ -0.0000697200000000, -0.0002818000000000, 0.0001712800000000 ] - [ -0.0002821800000000, -0.0000902200000000, -0.0000370000000000 ] - [ 0.0001792700000000, -0.0003939300000000, 0.0004746400000000 ] - [ -0.0005991200000000, 0.0005700400000000, -0.0020890800000000 ] - [ 0.0004299400000000, 0.0003514300000000, -0.0001805000000000 ] - [ 0.0041646300000000, -0.0019231000000000, -0.0003549300000000 ] - [ 0.0003496700000000, -0.0002157700000000, -0.0004031200000000 ] - [ -0.0000656400000000, 0.0002162200000000, 0.0002646900000000 ] - [ 0.0000236100000000, -0.0000165900000000, 0.0000064800000000 ] - [ -0.0001104300000000, -0.0001603500000000, 0.0000557200000000 ] - [ -0.0000020600000000, -0.0002598200000000, 0.0002917200000000 ] - [ -0.0000030400000000, -0.0000052300000000, 0.0000284400000000 ] - [ -0.0008355600000000, -0.0006376200000000, 0.0002887600000000 ] - [ 0.0000627600000000, 0.0000389400000000, 0.0000527900000000 ] - [ -0.0000530600000000, 0.0008138000000000, 0.0001318900000000 ] - [ -0.0000518200000000, 0.0000055600000000, -0.0000518300000000 ] - [ 0.0000698900000000, -0.0001318800000000, 0.0002105900000000 ] - [ -0.0016315400000000, -0.0022821900000000, 0.0010129800000000 ] - [ 0.0001550100000000, -0.0009530100000000, 0.0004072600000000 ] - [ 0.0003345800000000, -0.0000713500000000, 0.0003357800000000 ] - [ -0.0007220800000000, 0.0020046200000000, 0.0003765800000000 ] - [ -0.0002036500000000, 0.0002257300000000, 0.0002127700000000 ] - [ 0.0003128400000000, 0.0001039500000000, -0.0000615100000000 ] - [ -0.0000978100000000, -0.0005221500000000, -0.0001546700000000 ] - [ -0.0001134500000000, 0.0000404200000000, -0.0000449600000000 ] - [ 0.0002039400000000, -0.0053640100000000, -0.0042326100000000 ] - [ -0.0017483600000000, -0.0018891300000000, 0.0002330400000000 ] - [ 0.0001229700000000, -0.0000477400000000, 0.0001215300000000 ] - [ -0.0000657000000000, -0.0001623700000000, -0.0004311800000000 ] - [ 0.0000020000000000, 0.0002108700000000, -0.0000952000000000 ] - [ -0.0009949400000000, 0.0008852100000000, 0.0000597200000000 ] - [ -0.0001392500000000, -0.0000926600000000, -0.0002420400000000 ] - [ -0.0003356200000000, 0.0006123900000000, 0.0001464700000000 ] - [ -0.0003495100000000, 0.0000067400000000, 0.0001006100000000 ] - [ 0.0000045100000000, 0.0001577100000000, 0.0001359100000000 ] - [ -0.0013717300000000, -0.0005777100000000, -0.0000955700000000 ] - [ -0.0000501200000000, 0.0001400100000000, 0.0002720200000000 ] - [ 0.0002901300000000, -0.0000490600000000, -0.0000145300000000 ] - [ -0.0001542200000000, 0.0001982200000000, -0.0004642900000000 ] - [ -0.0000495800000000, 0.0000318400000000, -0.0001380800000000 ] - [ 0.0000570800000000, -0.0003863300000000, 0.0003459800000000 ] - [ -0.0002210000000000, 0.0001430900000000, -0.0002737600000000 ] - [ -0.0001494500000000, -0.0000947900000000, -0.0001274400000000 ] - [ -0.0002061700000000, -0.0001283200000000, 0.0001456200000000 ] - [ -0.0001377200000000, 0.0000201900000000, 0.0001152000000000 ] - [ -0.0000560100000000, -0.0001321000000000, 0.0001840900000000 ] - [ -0.0005296100000000, 0.0003076600000000, -0.0008138700000000 ] - [ -0.0001532000000000, 0.0003036000000000, 0.0000956300000000 ] - [ -0.0002924900000000, -0.0000009400000000, 0.0000118300000000 ] - [ -0.0003419500000000, -0.0010500300000000, -0.0000516000000000 ] - [ -0.0001661800000000, 0.0001128100000000, -0.0001399200000000 ] - [ 0.0001886400000000, -0.0002389800000000, -0.0000624300000000 ] - [ -0.0002228100000000, 0.0002932100000000, -0.0003111900000000 ] - [ 0.0003867100000000, 0.0013905500000000, -0.0000864200000000 ] - [ 0.0000188200000000, 0.0001054600000000, 0.0000928700000000 ] - [ 0.0001970300000000, -0.0000137900000000, 0.0000439100000000 ]- atom: 2 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0002413200000000, 0.0000229200000000, 0.0002080400000000 ] - [ -0.0011464700000000, -0.0031447000000000, -0.0136248200000000 ] - [ 0.0000491700000000, -0.0001256900000000, 0.0004051000000000 ] - [ 0.0005277800000000, 0.0000053300000000, -0.0008819600000000 ] - [ -0.0001584400000000, 0.0001032900000000, 0.0006073800000000 ] - [ 0.0001025800000000, -0.0000772500000000, 0.0002289800000000 ] - [ 0.0001275100000000, 0.0003138300000000, 0.0004184800000000 ] - [ -0.0001479700000000, -0.0001164000000000, 0.0003837000000000 ] - [ -0.0005216400000000, 0.0003792600000000, 0.0015782300000000 ] - [ -0.0003096900000000, 0.0000810300000000, 0.0000796700000000 ] - [ 0.0001932200000000, 0.0001110500000000, -0.0009415000000000 ] - [ 0.0001019200000000, 0.0003376600000000, -0.0003373000000000 ] - [ -0.0000761000000000, -0.0000247900000000, 0.0004973600000000 ] - [ -0.0002913500000000, -0.0002273100000000, 0.0000958500000000 ] - [ 0.0001700700000000, -0.0002035000000000, 0.0000837200000000 ] - [ -0.0006054100000000, -0.0001052000000000, -0.0000114700000000 ] - [ 0.0006061900000000, -0.0000288400000000, -0.0007075600000000 ] - [ -0.0001870700000000, -0.0002643300000000, 0.0002991900000000 ] - [ -0.0000064000000000, 0.0001057000000000, 0.0003172400000000 ] - [ -0.0001515600000000, 0.0004223500000000, 0.0007317400000000 ] - [ 0.0012778000000000, -0.0004521300000000, 0.0009923400000000 ] - [ -0.0004116500000000, -0.0000236800000000, -0.0002109500000000 ] - [ 0.0008135100000000, -0.0010604900000000, -0.0018127700000000 ] - [ -0.0003131700000000, -0.0000115200000000, 0.0006391700000000 ] - [ -0.0003686600000000, 0.0002813200000000, -0.0018273200000000 ] - [ 0.0003297500000000, 0.0000837100000000, 0.0012779300000000 ] - [ 0.0012011300000000, -0.0020118100000000, 0.0023997300000000 ] - [ -0.0005485300000000, 0.0006034400000000, 0.0006761700000000 ] - [ 0.0001910300000000, -0.0003823500000000, 0.0006775500000000 ] - [ -0.0005883000000000, -0.0003641000000000, 0.0003436600000000 ] - [ -0.0002752000000000, -0.0001641700000000, 0.0010018800000000 ] - [ 0.0020185700000000, 0.0026876400000000, -0.0009991600000000 ] - [ 0.0003876700000000, 0.0002938400000000, 0.0004303300000000 ] - [ -0.0025948100000000, 0.0015545100000000, -0.0029707500000000 ] - [ 0.0004316500000000, -0.0001493900000000, 0.0002789300000000 ] - [ 0.0001771700000000, 0.0002653600000000, 0.0000462700000000 ] - [ 0.0002432900000000, 0.0000539400000000, -0.0002185200000000 ] - [ -0.0000804800000000, -0.0000888200000000, -0.0002757000000000 ] - [ 0.0000662300000000, -0.0001552200000000, 0.0009895800000000 ] - [ 0.0000374900000000, -0.0000572300000000, -0.0002307400000000 ] - [ 0.0000078800000000, 0.0002189600000000, 0.0020448200000000 ] - [ 0.0003298700000000, 0.0002526800000000, -0.0002306600000000 ] - [ 0.0007246900000000, -0.0001083500000000, 0.0002578200000000 ] - [ -0.0001273400000000, -0.0000862300000000, -0.0003570500000000 ] - [ 0.0000300900000000, -0.0000707200000000, -0.0001886500000000 ] - [ -0.0013805800000000, -0.0016600600000000, 0.0015888300000000 ] - [ 0.0001537800000000, -0.0008683100000000, 0.0034773900000000 ] - [ -0.0001790400000000, -0.0007235400000000, 0.0000478400000000 ] - [ 0.0000500600000000, -0.0003659200000000, -0.0000454700000000 ] - [ -0.0002585800000000, 0.0000773300000000, -0.0003792100000000 ] - [ 0.0005343100000000, 0.0002655700000000, -0.0005536400000000 ] - [ 0.0001612300000000, -0.0001697100000000, 0.0002986100000000 ] - [ -0.0000383500000000, 0.0001368200000000, -0.0001955800000000 ] - [ 0.0002038000000000, 0.0041726000000000, 0.0046793200000000 ] - [ -0.0009986300000000, -0.0003834900000000, 0.0008897400000000 ] - [ -0.0000784100000000, -0.0000412500000000, -0.0002139300000000 ] - [ 0.0002325300000000, -0.0000723100000000, -0.0012446200000000 ] - [ -0.0000410300000000, 0.0001844200000000, -0.0003047300000000 ] - [ 0.0003965600000000, -0.0002563600000000, 0.0005963100000000 ] - [ -0.0002044700000000, -0.0001734500000000, -0.0004541900000000 ] - [ 0.0000201100000000, -0.0003483900000000, -0.0001478900000000 ] - [ -0.0001324100000000, 0.0000660100000000, -0.0001582900000000 ] - [ 0.0000360300000000, 0.0001558100000000, -0.0003719300000000 ] - [ 0.0006184300000000, -0.0002973600000000, 0.0014504800000000 ] - [ -0.0001939100000000, 0.0001262900000000, 0.0002259400000000 ] - [ 0.0004391500000000, -0.0001175500000000, 0.0005815900000000 ] - [ 0.0000185900000000, 0.0001492400000000, -0.0004934600000000 ] - [ -0.0001462400000000, 0.0000932900000000, -0.0005007100000000 ] - [ -0.0009866000000000, -0.0004246200000000, 0.0001663000000000 ] - [ 0.0002347400000000, 0.0000510100000000, 0.0001852300000000 ] - [ -0.0001887100000000, -0.0001848500000000, -0.0000073700000000 ] - [ -0.0003080800000000, -0.0001280800000000, 0.0001566300000000 ] - [ -0.0002249700000000, -0.0000522800000000, 0.0000590400000000 ] - [ 0.0001992200000000, -0.0000511500000000, 0.0001403900000000 ] - [ -0.0003695100000000, 0.0007374500000000, -0.0012195700000000 ] - [ 0.0000882300000000, 0.0002330700000000, -0.0000806200000000 ] - [ -0.0003781500000000, 0.0000275000000000, -0.0003595200000000 ] - [ 0.0013697700000000, 0.0003959400000000, 0.0018545300000000 ] - [ -0.0001969900000000, 0.0001599400000000, -0.0003766300000000 ] - [ 0.0002792300000000, -0.0001823200000000, -0.0003921100000000 ] - [ -0.0005292800000000, 0.0010159300000000, -0.0004341100000000 ] - [ 0.0001389200000000, -0.0000384600000000, 0.0000023500000000 ] - [ -0.0001783400000000, 0.0000521600000000, -0.0002861600000000 ] - [ 0.0003602700000000, -0.0002345500000000, -0.0003447800000000 ]- atom: 2 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0003710500000000, 0.0001471000000000, -0.0005251600000000 ] - [ 0.0012058900000000, 0.0029666200000000, 0.0134159900000000 ] - [ -0.0000590800000000, 0.0002879400000000, -0.0003144600000000 ] - [ -0.0001631800000000, 0.0002147500000000, 0.0006508400000000 ] - [ -0.0004538300000000, 0.0000662900000000, -0.0002901800000000 ] - [ 0.0002665100000000, -0.0001403300000000, -0.0004587300000000 ] - [ -0.0003713400000000, 0.0001190500000000, -0.0002666800000000 ] - [ -0.0002205800000000, -0.0001010700000000, -0.0001541600000000 ] - [ 0.0005444600000000, -0.0003769400000000, -0.0019198300000000 ] - [ -0.0000584700000000, 0.0001365300000000, 0.0001489100000000 ] - [ -0.0002202000000000, -0.0001076700000000, 0.0013034200000000 ] - [ 0.0001430600000000, 0.0000954100000000, 0.0001859800000000 ] - [ 0.0000489300000000, 0.0000263700000000, -0.0001370400000000 ] - [ 0.0000483700000000, -0.0002063600000000, 0.0000569400000000 ] - [ 0.0000734200000000, -0.0002297600000000, -0.0002359700000000 ] - [ -0.0000072100000000, -0.0000647500000000, 0.0003273700000000 ] - [ 0.0000043200000000, -0.0001423600000000, 0.0003894900000000 ] - [ 0.0001779500000000, 0.0001036800000000, -0.0002094300000000 ] - [ 0.0000157400000000, 0.0000544400000000, -0.0004096700000000 ] - [ 0.0001796100000000, -0.0004258300000000, -0.0010999500000000 ] - [ -0.0003606800000000, 0.0002547300000000, -0.0010632300000000 ] - [ 0.0013346100000000, 0.0002250300000000, 0.0001471300000000 ] - [ -0.0017237900000000, 0.0008624400000000, 0.0018915400000000 ] - [ -0.0006057500000000, 0.0002081800000000, -0.0005713900000000 ] - [ 0.0007478500000000, 0.0002086200000000, 0.0010160500000000 ] - [ -0.0002434700000000, -0.0005268900000000, -0.0016460200000000 ] - [ -0.0011126400000000, 0.0024476500000000, -0.0027491100000000 ] - [ 0.0012012500000000, -0.0012580300000000, -0.0006901100000000 ] - [ -0.0002792200000000, -0.0000611100000000, -0.0003216400000000 ] - [ -0.0000650500000000, -0.0002882000000000, -0.0003367100000000 ] - [ -0.0001021600000000, -0.0003277600000000, -0.0001919100000000 ] - [ -0.0026816700000000, -0.0020384300000000, 0.0010175700000000 ] - [ 0.0002647300000000, 0.0003605900000000, -0.0004397500000000 ] - [ 0.0025162800000000, -0.0011117300000000, 0.0033275000000000 ] - [ -0.0000539100000000, -0.0003422600000000, -0.0010883000000000 ] - [ -0.0005556500000000, 0.0002265300000000, 0.0007605700000000 ] - [ -0.0002338000000000, 0.0001131700000000, 0.0002040800000000 ] - [ -0.0001830200000000, -0.0002569700000000, 0.0003629800000000 ] - [ 0.0000511500000000, -0.0001798000000000, -0.0005520400000000 ] - [ -0.0000457600000000, -0.0001091500000000, 0.0002460600000000 ] - [ 0.0001359400000000, 0.0000877000000000, -0.0016382200000000 ] - [ -0.0000664200000000, 0.0000904300000000, 0.0001438200000000 ] - [ -0.0005273100000000, 0.0003192000000000, -0.0000905300000000 ] - [ 0.0003079500000000, 0.0001285300000000, 0.0002236200000000 ] - [ 0.0001186100000000, -0.0002340400000000, 0.0006009400000000 ] - [ 0.0013265600000000, 0.0014408500000000, -0.0016712300000000 ] - [ -0.0002105900000000, 0.0006974000000000, -0.0036076000000000 ] - [ 0.0004449600000000, 0.0003803200000000, -0.0001378200000000 ] - [ -0.0003085900000000, 0.0007041700000000, 0.0001352100000000 ] - [ -0.0001542100000000, 0.0002615800000000, 0.0005315700000000 ] - [ 0.0000351800000000, -0.0002932400000000, 0.0005547300000000 ] - [ -0.0000716500000000, -0.0002646700000000, -0.0004883800000000 ] - [ -0.0001592200000000, 0.0000724700000000, 0.0000300500000000 ] - [ -0.0001904200000000, -0.0041892600000000, -0.0044605900000000 ] - [ 0.0014271700000000, 0.0007328800000000, -0.0010489200000000 ] - [ 0.0002783100000000, -0.0001689200000000, 0.0003821300000000 ] - [ -0.0003859100000000, -0.0002349700000000, 0.0008399000000000 ] - [ 0.0001313400000000, 0.0002510100000000, 0.0001150100000000 ] - [ -0.0007599500000000, 0.0001334100000000, -0.0008483500000000 ] - [ 0.0000628400000000, -0.0000174300000000, -0.0000026400000000 ] - [ -0.0004319700000000, 0.0000089200000000, 0.0002974300000000 ] - [ -0.0000491900000000, -0.0000230000000000, 0.0002908600000000 ] - [ 0.0000819900000000, 0.0001793200000000, 0.0008086200000000 ] - [ -0.0011981000000000, 0.0003214700000000, -0.0014433900000000 ] - [ 0.0003363300000000, 0.0000645500000000, 0.0002324900000000 ] - [ -0.0002574000000000, 0.0000767100000000, -0.0007173900000000 ] - [ -0.0001372900000000, 0.0001862600000000, 0.0000564200000000 ] - [ 0.0001102100000000, 0.0000412500000000, 0.0003397700000000 ] - [ 0.0007887100000000, 0.0002147300000000, -0.0003348900000000 ] - [ -0.0003770500000000, 0.0001408000000000, -0.0006421800000000 ] - [ 0.0000704200000000, -0.0001502200000000, -0.0004274000000000 ] - [ 0.0002175800000000, -0.0003071400000000, 0.0000341500000000 ] - [ 0.0000447100000000, 0.0000106400000000, 0.0000760900000000 ] - [ -0.0000576100000000, -0.0001389200000000, 0.0003151000000000 ] - [ 0.0002193900000000, -0.0004314900000000, 0.0008122900000000 ] - [ -0.0001785700000000, 0.0002010500000000, 0.0002700000000000 ] - [ -0.0001941200000000, -0.0000518900000000, 0.0003625400000000 ] - [ -0.0009569500000000, -0.0005373000000000, -0.0015311600000000 ] - [ -0.0001633900000000, -0.0000356100000000, 0.0001265200000000 ] - [ 0.0001339000000000, -0.0001572000000000, 0.0002405000000000 ] - [ 0.0011009800000000, -0.0009898100000000, 0.0004309800000000 ] - [ -0.0001464800000000, 0.0002071400000000, 0.0000129300000000 ] - [ 0.0002153600000000, 0.0000838900000000, 0.0004499500000000 ] - [ -0.0000007500000000, 0.0003587000000000, 0.0005961400000000 ]- atom: 4 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0002654000000000, 0.0000912900000000, -0.0002374300000000 ] - [ 0.0012214700000000, -0.0007720700000000, 0.0005684400000000 ] - [ 0.0000653600000000, 0.0001054000000000, 0.0000923300000000 ] - [ -0.0243620900000000, 0.0039711800000000, -0.0003119700000000 ] - [ -0.0003012100000000, 0.0000669500000000, 0.0001194300000000 ] - [ 0.0001343000000000, -0.0001132700000000, -0.0002211200000000 ] - [ -0.0005157400000000, 0.0001496800000000, -0.0001780700000000 ] - [ -0.0001806100000000, -0.0000945800000000, 0.0000722600000000 ] - [ 0.0004064400000000, -0.0002125100000000, -0.0003380700000000 ] - [ 0.0000700000000000, 0.0000674200000000, 0.0002521800000000 ] - [ 0.0006354700000000, 0.0004534200000000, 0.0005069000000000 ] - [ 0.0003724400000000, 0.0000974200000000, -0.0002415600000000 ] - [ 0.0000929200000000, -0.0000013600000000, 0.0001465100000000 ] - [ -0.0005521600000000, -0.0002518700000000, -0.0004687800000000 ] - [ 0.0000889200000000, -0.0002375600000000, -0.0000071400000000 ] - [ 0.0012528500000000, 0.0001743400000000, 0.0008829800000000 ] - [ -0.0004359700000000, 0.0001808300000000, -0.0001472300000000 ] - [ 0.0002924300000000, 0.0001173100000000, -0.0000241200000000 ] - [ 0.0001060700000000, 0.0000847100000000, -0.0001058800000000 ] - [ 0.0001162600000000, -0.0000484600000000, -0.0000172200000000 ] - [ -0.0014718300000000, 0.0003727800000000, -0.0012775700000000 ] - [ -0.0001525900000000, 0.0003928500000000, -0.0005632700000000 ] - [ 0.0010331400000000, 0.0004725900000000, -0.0005632200000000 ] - [ -0.0004504000000000, 0.0003237900000000, 0.0005268700000000 ] - [ -0.0003257600000000, 0.0041177800000000, -0.0024114100000000 ] - [ 0.0001794300000000, -0.0002355000000000, -0.0001603700000000 ] - [ 0.0032863600000000, 0.0014498400000000, -0.0027289800000000 ] - [ -0.0021333200000000, 0.0024734100000000, 0.0004142600000000 ] - [ -0.0000314100000000, -0.0002372900000000, 0.0003474700000000 ] - [ -0.0000311700000000, -0.0003133400000000, 0.0000882600000000 ] - [ -0.0001463200000000, -0.0000709800000000, 0.0002070400000000 ] - [ -0.0000677000000000, 0.0002013800000000, -0.0000388300000000 ] - [ 0.0001910000000000, 0.0002595300000000, -0.0003435700000000 ] - [ 0.0007030900000000, 0.0004312100000000, 0.0005133800000000 ] - [ -0.0002239200000000, -0.0002383600000000, -0.0005420900000000 ] - [ -0.0007062000000000, -0.0001349500000000, 0.0037705400000000 ] - [ -0.0001833900000000, 0.0000962200000000, -0.0000589600000000 ] - [ -0.0001996700000000, -0.0002450100000000, 0.0002260700000000 ] - [ 0.0016290700000000, 0.0014436200000000, 0.0012713000000000 ] - [ 0.0000256000000000, -0.0001401500000000, 0.0001207500000000 ] - [ -0.0002967400000000, -0.0000652200000000, 0.0000348100000000 ] - [ -0.0000355700000000, 0.0001287900000000, -0.0000611100000000 ] - [ 0.0014164500000000, -0.0002839400000000, 0.0002433300000000 ] - [ 0.0003294400000000, 0.0000858200000000, 0.0000327900000000 ] - [ 0.0000516500000000, -0.0001148600000000, 0.0000287900000000 ] - [ -0.0010202500000000, -0.0003646000000000, 0.0001801800000000 ] - [ -0.0002740200000000, -0.0000809100000000, 0.0000252600000000 ] - [ -0.0000721700000000, -0.0000079800000000, -0.0000287800000000 ] - [ 0.0040070600000000, -0.0000679600000000, 0.0036983200000000 ] - [ -0.0000949700000000, 0.0002552500000000, 0.0004338900000000 ] - [ 0.0003107600000000, -0.0000572900000000, 0.0000520600000000 ] - [ 0.0007965000000000, -0.0013632700000000, -0.0000366000000000 ] - [ -0.0002957300000000, 0.0001085500000000, -0.0002603100000000 ] - [ -0.0006396900000000, -0.0000367700000000, -0.0001958500000000 ] - [ -0.0001092800000000, 0.0003125000000000, -0.0000655400000000 ] - [ 0.0003558000000000, -0.0001435100000000, 0.0001927800000000 ] - [ -0.0000241500000000, -0.0000995700000000, -0.0001687300000000 ] - [ 0.0002461600000000, 0.0001947900000000, -0.0001475100000000 ] - [ -0.0004915300000000, -0.0000502800000000, -0.0001643700000000 ] - [ 0.0002129700000000, -0.0000484300000000, -0.0003160700000000 ] - [ 0.0003943400000000, -0.0007823700000000, -0.0001075600000000 ] - [ -0.0000708800000000, -0.0001229900000000, 0.0002947800000000 ] - [ 0.0001583700000000, 0.0001650100000000, 0.0003648300000000 ] - [ -0.0006507900000000, -0.0002803000000000, -0.0000941600000000 ] - [ 0.0007548200000000, 0.0001186100000000, -0.0005523700000000 ] - [ 0.0008657400000000, -0.0003907700000000, 0.0004561500000000 ] - [ -0.0000727800000000, 0.0001351500000000, -0.0000688700000000 ] - [ -0.0000081300000000, 0.0000780800000000, -0.0000288900000000 ] - [ -0.0003908000000000, 0.0000313200000000, -0.0000113500000000 ] - [ 0.0000745700000000, -0.0004329800000000, 0.0002102000000000 ] - [ 0.0062852000000000, -0.0069592000000000, 0.0020128600000000 ] - [ 0.0008860100000000, -0.0001056400000000, -0.0007903800000000 ] - [ -0.0001420200000000, -0.0000768900000000, -0.0005847100000000 ] - [ 0.0000620200000000, -0.0002377400000000, 0.0003669400000000 ] - [ -0.0002827600000000, -0.0002815600000000, 0.0008947600000000 ] - [ 0.0000027100000000, 0.0001291900000000, 0.0001516900000000 ] - [ -0.0002882500000000, -0.0000056500000000, -0.0000609200000000 ] - [ 0.0053335800000000, -0.0045140700000000, -0.0039577000000000 ] - [ -0.0001998300000000, 0.0000685800000000, -0.0001472100000000 ] - [ 0.0001263900000000, -0.0001870700000000, -0.0001797200000000 ] - [ 0.0024255100000000, 0.0014770600000000, -0.0008123200000000 ] - [ 0.0005751200000000, -0.0004723100000000, -0.0001033500000000 ] - [ -0.0000937300000000, 0.0000506100000000, -0.0000240300000000 ] - [ 0.0001863600000000, 0.0000471300000000, 0.0001538800000000 ]- atom: 4 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0003567600000000, 0.0000719300000000, -0.0000822400000000 ] - [ -0.0012297500000000, 0.0006161900000000, -0.0006596700000000 ] - [ -0.0000662600000000, 0.0000578500000000, -0.0000053100000000 ] - [ 0.0247798900000000, -0.0037127600000000, -0.0001141400000000 ] - [ -0.0003207900000000, 0.0000965900000000, 0.0001997000000000 ] - [ 0.0002357200000000, -0.0001043200000000, -0.0000082100000000 ] - [ 0.0002699000000000, 0.0002769000000000, 0.0003324000000000 ] - [ -0.0001897600000000, -0.0001231800000000, 0.0001568400000000 ] - [ -0.0003792300000000, 0.0002100600000000, -0.0000232800000000 ] - [ -0.0004411800000000, 0.0001503300000000, -0.0000225500000000 ] - [ -0.0006652500000000, -0.0004600900000000, -0.0001483700000000 ] - [ -0.0001263700000000, 0.0003278400000000, 0.0000838500000000 ] - [ -0.0001193000000000, 0.0000035700000000, 0.0002159100000000 ] - [ 0.0003027600000000, -0.0001750600000000, 0.0006275000000000 ] - [ 0.0001561400000000, -0.0001891300000000, -0.0001492200000000 ] - [ -0.0018606600000000, -0.0003340600000000, -0.0005541800000000 ] - [ 0.0010599700000000, -0.0003428000000000, -0.0001740800000000 ] - [ -0.0002927100000000, -0.0002808300000000, 0.0001113100000000 ] - [ -0.0001042700000000, 0.0000786400000000, 0.0000192300000000 ] - [ -0.0000885900000000, 0.0000503100000000, -0.0003441200000000 ] - [ 0.0023949400000000, -0.0005683600000000, 0.0012152800000000 ] - [ 0.0010767700000000, -0.0001990700000000, 0.0005081200000000 ] - [ -0.0019559500000000, -0.0006629600000000, 0.0006218200000000 ] - [ -0.0004761200000000, -0.0001324200000000, -0.0004679200000000 ] - [ 0.0006950100000000, -0.0035917400000000, 0.0016000300000000 ] - [ -0.0000897900000000, -0.0002171900000000, -0.0002038600000000 ] - [ -0.0032140000000000, -0.0009819200000000, 0.0023979500000000 ] - [ 0.0027862800000000, -0.0031332400000000, -0.0004348900000000 ] - [ -0.0000559000000000, -0.0002192200000000, 0.0000172800000000 ] - [ -0.0006233900000000, -0.0003505000000000, -0.0000673600000000 ] - [ -0.0002414000000000, -0.0004212500000000, 0.0006054800000000 ] - [ -0.0005873400000000, 0.0004655400000000, 0.0000584600000000 ] - [ 0.0004619000000000, 0.0004055200000000, 0.0003190300000000 ] - [ -0.0007927800000000, 0.0000250000000000, -0.0001471000000000 ] - [ 0.0006091500000000, -0.0002556200000000, -0.0002699200000000 ] - [ 0.0003271300000000, 0.0006212100000000, -0.0029661400000000 ] - [ 0.0001866200000000, 0.0000651700000000, 0.0000422900000000 ] - [ -0.0000613200000000, -0.0000939900000000, -0.0001358600000000 ] - [ -0.0015034500000000, -0.0017374300000000, -0.0008063500000000 ] - [ -0.0000287600000000, -0.0000200900000000, -0.0001033000000000 ] - [ 0.0004397500000000, 0.0003573300000000, 0.0003711400000000 ] - [ 0.0002961300000000, 0.0002083900000000, -0.0000269500000000 ] - [ -0.0012148000000000, 0.0004848400000000, -0.0000790200000000 ] - [ -0.0001791200000000, -0.0000563200000000, -0.0001859500000000 ] - [ 0.0000890800000000, -0.0001764300000000, 0.0003791200000000 ] - [ 0.0010001700000000, 0.0002344400000000, -0.0003419700000000 ] - [ 0.0002776300000000, -0.0000822900000000, -0.0000399800000000 ] - [ 0.0003326500000000, -0.0003308500000000, -0.0000601600000000 ] - [ -0.0043155600000000, 0.0003744100000000, -0.0037096700000000 ] - [ -0.0003123400000000, 0.0000898400000000, -0.0002721100000000 ] - [ 0.0002562300000000, 0.0000340000000000, -0.0000418600000000 ] - [ -0.0006174900000000, 0.0009315800000000, -0.0001941800000000 ] - [ 0.0000950700000000, 0.0000964800000000, 0.0000929300000000 ] - [ 0.0006605800000000, -0.0000936000000000, 0.0003477500000000 ] - [ 0.0005179800000000, 0.0000315200000000, -0.0000938400000000 ] - [ -0.0001518200000000, -0.0000622500000000, -0.0000237100000000 ] - [ -0.0001188700000000, -0.0001936700000000, -0.0002392700000000 ] - [ -0.0001249500000000, 0.0002537000000000, -0.0000525000000000 ] - [ 0.0001490400000000, -0.0000933100000000, -0.0000906300000000 ] - [ -0.0003402100000000, -0.0001614200000000, -0.0001572100000000 ] - [ -0.0008013600000000, 0.0004382500000000, 0.0002665100000000 ] - [ -0.0000793900000000, 0.0001529000000000, -0.0001420000000000 ] - [ -0.0000477000000000, 0.0001695500000000, 0.0000907400000000 ] - [ 0.0000831600000000, 0.0003009700000000, 0.0000819400000000 ] - [ -0.0006254000000000, 0.0000910600000000, 0.0010276100000000 ] - [ -0.0007114000000000, 0.0003562400000000, -0.0006059800000000 ] - [ -0.0000372900000000, 0.0001994300000000, -0.0003864700000000 ] - [ -0.0000116100000000, 0.0000509400000000, -0.0001241000000000 ] - [ 0.0001900900000000, -0.0002385400000000, -0.0001550900000000 ] - [ -0.0001990500000000, 0.0006388100000000, -0.0006848800000000 ] - [ -0.0062965000000000, 0.0064577800000000, -0.0023637500000000 ] - [ -0.0010070800000000, -0.0003403500000000, 0.0009886300000000 ] - [ -0.0000068100000000, 0.0000511100000000, 0.0007419600000000 ] - [ 0.0000678300000000, 0.0000277900000000, 0.0001052500000000 ] - [ 0.0001428000000000, 0.0005741000000000, -0.0013018400000000 ] - [ -0.0001200700000000, 0.0003176600000000, 0.0000467600000000 ] - [ -0.0002801300000000, -0.0000165400000000, 0.0000511900000000 ] - [ -0.0051217900000000, 0.0044794700000000, 0.0043529200000000 ] - [ -0.0001432800000000, 0.0000765600000000, -0.0001073800000000 ] - [ 0.0002824000000000, -0.0001577700000000, 0.0000180600000000 ] - [ -0.0018900600000000, -0.0015006800000000, 0.0008769300000000 ] - [ -0.0005796000000000, 0.0006342700000000, 0.0001212800000000 ] - [ 0.0001120500000000, 0.0000797100000000, 0.0001761700000000 ] - [ 0.0001563900000000, 0.0000954500000000, 0.0000992100000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002907600000000, 0.0001052100000000, -0.0001990400000000 ] - [ -0.0006336000000000, -0.0000623800000000, -0.0002837300000000 ] - [ 0.0000636300000000, 0.0001635400000000, 0.0000499000000000 ] - [ 0.0039403000000000, -0.0238777600000000, 0.0025454200000000 ] - [ -0.0003039200000000, 0.0000605400000000, 0.0000603300000000 ] - [ 0.0001891800000000, -0.0001224700000000, -0.0001874900000000 ] - [ -0.0001458100000000, 0.0002615600000000, 0.0004832200000000 ] - [ -0.0001711100000000, -0.0000971700000000, 0.0000277100000000 ] - [ -0.0000631500000000, 0.0000290000000000, -0.0000254400000000 ] - [ -0.0001424600000000, 0.0005514300000000, 0.0003018300000000 ] - [ 0.0004142200000000, 0.0000740500000000, 0.0002433500000000 ] - [ -0.0000366000000000, 0.0003082800000000, -0.0000099600000000 ] - [ -0.0000151500000000, 0.0000425500000000, 0.0001495800000000 ] - [ -0.0002118000000000, -0.0007198100000000, -0.0000986300000000 ] - [ 0.0000936400000000, -0.0001332100000000, -0.0001385100000000 ] - [ -0.0001397100000000, -0.0006100400000000, 0.0003899700000000 ] - [ 0.0003487800000000, 0.0022515500000000, -0.0002724000000000 ] - [ 0.0000982800000000, -0.0000512300000000, 0.0000933000000000 ] - [ 0.0000008300000000, 0.0000435000000000, -0.0000770600000000 ] - [ 0.0000809700000000, -0.0001082000000000, -0.0001422900000000 ] - [ 0.0007930800000000, -0.0000920500000000, -0.0010026200000000 ] - [ 0.0001247400000000, 0.0026972000000000, -0.0006996500000000 ] - [ 0.0003551800000000, 0.0001218800000000, -0.0004590300000000 ] - [ -0.0005950300000000, -0.0004151700000000, -0.0002841700000000 ] - [ 0.0043592200000000, 0.0035503500000000, -0.0034511000000000 ] - [ 0.0002497700000000, -0.0003200400000000, -0.0005581200000000 ] - [ 0.0003244700000000, -0.0044720100000000, 0.0005070500000000 ] - [ 0.0024631300000000, 0.0001882100000000, 0.0018434700000000 ] - [ 0.0000951300000000, -0.0001458200000000, 0.0000190600000000 ] - [ -0.0001210000000000, -0.0003181200000000, 0.0000386200000000 ] - [ -0.0002962200000000, 0.0001508300000000, 0.0000932400000000 ] - [ -0.0001733000000000, 0.0001285900000000, -0.0001611700000000 ] - [ 0.0004524200000000, 0.0003641700000000, -0.0000905500000000 ] - [ 0.0000884800000000, 0.0006095600000000, 0.0002826700000000 ] - [ 0.0002272600000000, -0.0003550000000000, -0.0006213800000000 ] - [ -0.0000097600000000, 0.0004136700000000, -0.0027129100000000 ] - [ -0.0000147900000000, 0.0001668800000000, -0.0000368700000000 ] - [ -0.0001791300000000, -0.0002427500000000, 0.0000773300000000 ] - [ 0.0016888000000000, 0.0033274100000000, 0.0023044700000000 ] - [ -0.0000994000000000, -0.0000629600000000, 0.0000402300000000 ] - [ -0.0000719200000000, -0.0000522000000000, 0.0001369100000000 ] - [ 0.0001373800000000, 0.0001769700000000, -0.0000924200000000 ] - [ -0.0007498400000000, -0.0001115600000000, -0.0006681200000000 ] - [ 0.0000514900000000, 0.0001386600000000, 0.0000514900000000 ] - [ 0.0000253700000000, -0.0001632900000000, 0.0003962700000000 ] - [ 0.0001016200000000, 0.0007834900000000, -0.0001492600000000 ] - [ -0.0000926700000000, -0.0000330200000000, 0.0000925900000000 ] - [ -0.0000099900000000, -0.0000024200000000, 0.0000197700000000 ] - [ 0.0004159100000000, 0.0008092600000000, 0.0009333500000000 ] - [ -0.0002761100000000, 0.0000339400000000, 0.0000997400000000 ] - [ 0.0002554400000000, -0.0000812500000000, 0.0001117300000000 ] - [ -0.0004432400000000, -0.0001024300000000, 0.0003572100000000 ] - [ -0.0002307800000000, 0.0001724000000000, -0.0001830100000000 ] - [ -0.0000804500000000, -0.0002110700000000, 0.0000032500000000 ] - [ 0.0000593200000000, 0.0003311400000000, 0.0000365500000000 ] - [ 0.0000140800000000, -0.0002271200000000, 0.0001736900000000 ] - [ -0.0002167800000000, -0.0001603600000000, 0.0001254900000000 ] - [ 0.0000197900000000, 0.0003098100000000, -0.0000226400000000 ] - [ -0.0001571800000000, -0.0003065100000000, -0.0001973700000000 ] - [ -0.0000503400000000, -0.0000446700000000, -0.0001149600000000 ] - [ -0.0003900700000000, -0.0004646300000000, -0.0004444400000000 ] - [ -0.0000680500000000, -0.0001279400000000, 0.0002879900000000 ] - [ 0.0000387400000000, 0.0001852700000000, 0.0003561400000000 ] - [ -0.0004312100000000, -0.0001769200000000, -0.0000393100000000 ] - [ -0.0000249400000000, 0.0005965100000000, 0.0007911000000000 ] - [ -0.0006382300000000, 0.0014853800000000, -0.0011376500000000 ] - [ -0.0000302900000000, 0.0000638800000000, -0.0000925000000000 ] - [ 0.0000780700000000, 0.0000745900000000, 0.0001154900000000 ] - [ -0.0002100000000000, 0.0000361000000000, 0.0000559600000000 ] - [ -0.0008004800000000, -0.0005994700000000, 0.0005109700000000 ] - [ -0.0064812300000000, 0.0060741400000000, -0.0027682100000000 ] - [ -0.0003050900000000, -0.0004642700000000, 0.0006677200000000 ] - [ 0.0001092600000000, 0.0001008000000000, 0.0008056300000000 ] - [ 0.0000783700000000, -0.0003153300000000, 0.0004010200000000 ] - [ -0.0003408100000000, 0.0011822900000000, -0.0004189300000000 ] - [ 0.0000140400000000, -0.0000740400000000, 0.0002057000000000 ] - [ -0.0003039000000000, 0.0000126900000000, 0.0000865800000000 ] - [ -0.0038185200000000, 0.0047014200000000, 0.0032429300000000 ] - [ -0.0002097400000000, 0.0000203500000000, -0.0000682100000000 ] - [ 0.0001918400000000, -0.0001228000000000, -0.0001474800000000 ] - [ 0.0016724900000000, 0.0034664600000000, -0.0016991000000000 ] - [ -0.0003790300000000, -0.0005011800000000, -0.0002324100000000 ] - [ 0.0000188700000000, 0.0000457100000000, 0.0001676900000000 ] - [ 0.0001384800000000, 0.0001374500000000, 0.0002044400000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003311300000000, 0.0000573800000000, -0.0001217500000000 ] - [ 0.0006348400000000, -0.0001033900000000, 0.0001957800000000 ] - [ -0.0000672100000000, -0.0000006000000000, 0.0000380800000000 ] - [ -0.0037683600000000, 0.0240007000000000, -0.0029183300000000 ] - [ -0.0003176800000000, 0.0001016700000000, 0.0002587400000000 ] - [ 0.0001808600000000, -0.0000952300000000, -0.0000429900000000 ] - [ -0.0001009900000000, 0.0001644100000000, -0.0003262600000000 ] - [ -0.0001988600000000, -0.0001200800000000, 0.0002015300000000 ] - [ 0.0000902000000000, -0.0000322600000000, -0.0003368700000000 ] - [ -0.0002269900000000, -0.0003322300000000, -0.0000710400000000 ] - [ -0.0004408100000000, -0.0000751400000000, 0.0001183100000000 ] - [ 0.0002831400000000, 0.0001188600000000, -0.0001466100000000 ] - [ -0.0000111600000000, -0.0000400800000000, 0.0002122000000000 ] - [ -0.0000355900000000, 0.0002922200000000, 0.0002600400000000 ] - [ 0.0001513500000000, -0.0002931000000000, -0.0000186200000000 ] - [ -0.0004838500000000, 0.0004456800000000, -0.0000707800000000 ] - [ 0.0002708200000000, -0.0024278100000000, -0.0000434700000000 ] - [ -0.0001004000000000, -0.0001107600000000, -0.0000051300000000 ] - [ 0.0000027900000000, 0.0001191700000000, -0.0000121200000000 ] - [ -0.0000541400000000, 0.0001102200000000, -0.0002189800000000 ] - [ 0.0001250800000000, -0.0001045900000000, 0.0009369400000000 ] - [ 0.0007962500000000, -0.0024978500000000, 0.0006337700000000 ] - [ -0.0012748700000000, -0.0003199400000000, 0.0005214400000000 ] - [ -0.0003280000000000, 0.0006088300000000, 0.0003414600000000 ] - [ -0.0039143500000000, -0.0030141300000000, 0.0026174500000000 ] - [ -0.0001595200000000, -0.0001379200000000, 0.0001873200000000 ] - [ -0.0002237000000000, 0.0049403900000000, -0.0008842000000000 ] - [ -0.0018299200000000, -0.0008355600000000, -0.0018753700000000 ] - [ -0.0001831400000000, -0.0003147100000000, 0.0003469100000000 ] - [ -0.0005308300000000, -0.0003466300000000, -0.0000198600000000 ] - [ -0.0000871800000000, -0.0006414500000000, 0.0007142400000000 ] - [ -0.0004802100000000, 0.0005390200000000, 0.0001819900000000 ] - [ 0.0001991500000000, 0.0003003600000000, 0.0000667200000000 ] - [ -0.0001778500000000, -0.0001481800000000, 0.0000873500000000 ] - [ 0.0001558400000000, -0.0001364700000000, -0.0001883000000000 ] - [ -0.0003659700000000, 0.0000724300000000, 0.0035141200000000 ] - [ 0.0000164100000000, -0.0000055100000000, 0.0000223500000000 ] - [ -0.0000804500000000, -0.0000938700000000, 0.0000125800000000 ] - [ -0.0014884900000000, -0.0035199700000000, -0.0018097600000000 ] - [ 0.0000972800000000, -0.0000966600000000, -0.0000231700000000 ] - [ 0.0002127800000000, 0.0003422400000000, 0.0002663800000000 ] - [ 0.0001212900000000, 0.0001575500000000, 0.0000056300000000 ] - [ 0.0009701800000000, 0.0002748600000000, 0.0008086300000000 ] - [ 0.0001049800000000, -0.0001086900000000, -0.0002024500000000 ] - [ 0.0001139800000000, -0.0001261300000000, 0.0000113500000000 ] - [ -0.0001215900000000, -0.0009155200000000, -0.0000030100000000 ] - [ 0.0000950900000000, -0.0001287000000000, -0.0001076600000000 ] - [ 0.0002690200000000, -0.0003342100000000, -0.0001085700000000 ] - [ -0.0006680300000000, -0.0004770400000000, -0.0008446000000000 ] - [ -0.0001297400000000, 0.0003125900000000, 0.0000618600000000 ] - [ 0.0003133700000000, 0.0000592900000000, -0.0000975900000000 ] - [ 0.0005640500000000, -0.0003334100000000, -0.0005578100000000 ] - [ 0.0000278100000000, 0.0000324200000000, 0.0000167800000000 ] - [ 0.0001007400000000, 0.0000792100000000, 0.0001477000000000 ] - [ 0.0003474000000000, 0.0000146000000000, -0.0001969100000000 ] - [ 0.0001915500000000, 0.0000218100000000, -0.0000046500000000 ] - [ 0.0000760000000000, -0.0001298600000000, -0.0005284700000000 ] - [ 0.0000981700000000, 0.0001338700000000, -0.0001770500000000 ] - [ -0.0001860800000000, 0.0001598600000000, -0.0000598800000000 ] - [ -0.0000778500000000, -0.0001621100000000, -0.0003560700000000 ] - [ -0.0000118500000000, 0.0001161100000000, 0.0006054600000000 ] - [ -0.0000893900000000, 0.0001583600000000, -0.0001368700000000 ] - [ 0.0000738300000000, 0.0001489700000000, 0.0000923900000000 ] - [ -0.0001386500000000, 0.0001970900000000, 0.0000237500000000 ] - [ 0.0001543800000000, -0.0003912300000000, -0.0003153300000000 ] - [ 0.0007908700000000, -0.0014280500000000, 0.0009095800000000 ] - [ -0.0000826400000000, 0.0002708300000000, -0.0003534800000000 ] - [ -0.0000959100000000, 0.0000563400000000, -0.0002657300000000 ] - [ 0.0000071500000000, -0.0002424300000000, -0.0002227800000000 ] - [ 0.0006649900000000, 0.0008043500000000, -0.0009805400000000 ] - [ 0.0065308000000000, -0.0065255800000000, 0.0024257600000000 ] - [ 0.0001872800000000, 0.0000197100000000, -0.0004683600000000 ] - [ -0.0002642800000000, -0.0001266600000000, -0.0006490700000000 ] - [ 0.0000509300000000, 0.0001089700000000, 0.0000707700000000 ] - [ 0.0002020400000000, -0.0008928500000000, 0.0000130100000000 ] - [ -0.0001307500000000, 0.0005170000000000, -0.0000056400000000 ] - [ -0.0002659600000000, -0.0000335200000000, -0.0000979800000000 ] - [ 0.0040797800000000, -0.0048270200000000, -0.0029219900000000 ] - [ -0.0001335700000000, 0.0001266300000000, -0.0001875400000000 ] - [ 0.0002152200000000, -0.0002229600000000, -0.0000119400000000 ] - [ -0.0011542000000000, -0.0034869200000000, 0.0017797600000000 ] - [ 0.0003786200000000, 0.0006585700000000, 0.0002517600000000 ] - [ -0.0000006700000000, 0.0000864300000000, -0.0000157100000000 ] - [ 0.0002042100000000, 0.0000080500000000, 0.0000513200000000 ]- atom: 4 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0002350300000000, -0.0000109100000000, 0.0003279000000000 ] - [ 0.0001335600000000, -0.0000948400000000, -0.0008558200000000 ] - [ 0.0002034100000000, 0.0000763800000000, 0.0003495900000000 ] - [ 0.0052073800000000, 0.0019746600000000, -0.0180965800000000 ] - [ -0.0002989900000000, 0.0001753200000000, 0.0004589800000000 ] - [ 0.0000932300000000, -0.0000371400000000, 0.0003012700000000 ] - [ -0.0000884700000000, 0.0005027700000000, 0.0006346200000000 ] - [ -0.0002260200000000, -0.0001966700000000, 0.0004086400000000 ] - [ -0.0003007300000000, 0.0002128100000000, -0.0001786900000000 ] - [ -0.0001050100000000, -0.0000647700000000, -0.0001534900000000 ] - [ 0.0002360500000000, -0.0000372300000000, -0.0005181400000000 ] - [ -0.0002003200000000, 0.0002893700000000, -0.0001918900000000 ] - [ -0.0000557700000000, -0.0000377500000000, 0.0004938500000000 ] - [ -0.0005755000000000, -0.0004934600000000, 0.0019306000000000 ] - [ 0.0002039600000000, -0.0002360300000000, 0.0001129400000000 ] - [ -0.0000479400000000, 0.0001378600000000, -0.0003239200000000 ] - [ 0.0004652300000000, -0.0003890500000000, -0.0011940700000000 ] - [ -0.0002717200000000, -0.0002979400000000, -0.0000199800000000 ] - [ 0.0000013800000000, 0.0001230900000000, 0.0003152900000000 ] - [ 0.0002295300000000, -0.0000322400000000, 0.0002245100000000 ] - [ 0.0004961800000000, -0.0008527400000000, 0.0019189200000000 ] - [ -0.0000048400000000, 0.0007203700000000, 0.0015536400000000 ] - [ -0.0016682600000000, -0.0005263800000000, 0.0001717500000000 ] - [ 0.0003681700000000, 0.0002968800000000, 0.0011055300000000 ] - [ -0.0013174500000000, -0.0024894000000000, -0.0039726100000000 ] - [ 0.0003817100000000, -0.0000142800000000, 0.0006014700000000 ] - [ -0.0036240300000000, -0.0000361200000000, 0.0013734800000000 ] - [ 0.0007882900000000, 0.0017769100000000, 0.0019040100000000 ] - [ 0.0002768900000000, -0.0004828400000000, 0.0007568300000000 ] - [ -0.0002225800000000, -0.0002863100000000, 0.0003103300000000 ] - [ -0.0007063300000000, -0.0001462400000000, 0.0011491300000000 ] - [ -0.0002780300000000, 0.0002583800000000, -0.0002134200000000 ] - [ 0.0002739400000000, 0.0003095700000000, 0.0004041300000000 ] - [ -0.0004858800000000, -0.0002128500000000, -0.0004724100000000 ] - [ 0.0002815400000000, -0.0000007500000000, 0.0005459800000000 ] - [ 0.0014907500000000, -0.0015532200000000, 0.0002091700000000 ] - [ 0.0000010500000000, 0.0000290000000000, -0.0000925900000000 ] - [ 0.0000539600000000, 0.0000421600000000, -0.0002649900000000 ] - [ 0.0004556900000000, 0.0010138700000000, 0.0027237900000000 ] - [ 0.0001674000000000, -0.0000002100000000, -0.0002431800000000 ] - [ 0.0002273000000000, 0.0003289200000000, 0.0006938200000000 ] - [ 0.0000995900000000, 0.0001024100000000, -0.0000824600000000 ] - [ -0.0004401500000000, -0.0004895800000000, -0.0002553300000000 ] - [ -0.0000094200000000, -0.0001585400000000, -0.0005349100000000 ] - [ -0.0000460100000000, 0.0000095300000000, -0.0002455100000000 ] - [ 0.0012966700000000, 0.0002079300000000, 0.0004074500000000 ] - [ 0.0000483400000000, -0.0000625500000000, 0.0000169200000000 ] - [ 0.0000395300000000, -0.0001721500000000, -0.0000627900000000 ] - [ 0.0030537400000000, 0.0006813600000000, 0.0038530900000000 ] - [ -0.0001275600000000, 0.0002328300000000, -0.0003400700000000 ] - [ 0.0002155000000000, -0.0001137300000000, -0.0006057500000000 ] - [ -0.0001000700000000, 0.0005739100000000, 0.0007030200000000 ] - [ -0.0002541900000000, 0.0000593800000000, -0.0001912800000000 ] - [ 0.0004473800000000, 0.0000006400000000, 0.0005900400000000 ] - [ 0.0003139900000000, 0.0000899300000000, 0.0000693100000000 ] - [ 0.0000371100000000, 0.0000455900000000, -0.0002231000000000 ] - [ -0.0002571000000000, -0.0002448900000000, -0.0008010200000000 ] - [ 0.0000377900000000, 0.0001405500000000, -0.0004014600000000 ] - [ -0.0001217800000000, 0.0001565500000000, 0.0002411100000000 ] - [ -0.0001143000000000, -0.0001843200000000, -0.0007989700000000 ] - [ -0.0002019300000000, -0.0005455700000000, -0.0006163000000000 ] - [ 0.0001221800000000, 0.0000911200000000, -0.0001409500000000 ] - [ 0.0000962800000000, 0.0001336400000000, -0.0004772900000000 ] - [ -0.0000592000000000, 0.0002042700000000, 0.0004214600000000 ] - [ -0.0006951500000000, 0.0008217000000000, -0.0004163000000000 ] - [ 0.0007348700000000, -0.0012769000000000, 0.0019289700000000 ] - [ 0.0001388500000000, 0.0001086900000000, -0.0008100700000000 ] - [ -0.0003459300000000, 0.0000688600000000, -0.0005017600000000 ] - [ 0.0000384600000000, -0.0001550500000000, -0.0000914500000000 ] - [ 0.0003933700000000, 0.0002200200000000, 0.0002502800000000 ] - [ 0.0015749400000000, -0.0020477600000000, 0.0011300400000000 ] - [ -0.0003609100000000, 0.0001697400000000, 0.0002102900000000 ] - [ -0.0004913500000000, 0.0001824400000000, 0.0001681100000000 ] - [ 0.0004293300000000, 0.0000057900000000, -0.0000184000000000 ] - [ 0.0003096600000000, 0.0001582600000000, -0.0009419400000000 ] - [ 0.0003811200000000, 0.0001807200000000, -0.0002375800000000 ] - [ -0.0004280200000000, 0.0000855100000000, -0.0004350700000000 ] - [ -0.0051643000000000, 0.0041573000000000, 0.0045328600000000 ] - [ -0.0001953400000000, 0.0002135900000000, -0.0004078500000000 ] - [ 0.0001586300000000, -0.0002556500000000, -0.0003360000000000 ] - [ -0.0018221100000000, -0.0024778700000000, 0.0019412000000000 ] - [ -0.0004008300000000, -0.0006841800000000, -0.0000331600000000 ] - [ -0.0002904800000000, 0.0000740000000000, -0.0003120700000000 ] - [ 0.0001650300000000, -0.0000464500000000, -0.0003336600000000 ]- atom: 4 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0003863100000000, 0.0001736300000000, -0.0006481900000000 ] - [ -0.0001289200000000, -0.0000688500000000, 0.0007688100000000 ] - [ -0.0002069800000000, 0.0000865600000000, -0.0002611800000000 ] - [ -0.0045132700000000, -0.0017911800000000, 0.0178769400000000 ] - [ -0.0003220100000000, -0.0000123900000000, -0.0001395900000000 ] - [ 0.0002767500000000, -0.0001802300000000, -0.0005311500000000 ] - [ -0.0001589500000000, -0.0000736500000000, -0.0004755300000000 ] - [ -0.0001437900000000, -0.0000208900000000, -0.0001790600000000 ] - [ 0.0003271800000000, -0.0002158100000000, -0.0001838200000000 ] - [ -0.0002664300000000, 0.0002827700000000, 0.0003820800000000 ] - [ -0.0002613600000000, 0.0000356800000000, 0.0008805000000000 ] - [ 0.0004467800000000, 0.0001366000000000, 0.0000363700000000 ] - [ 0.0000294700000000, 0.0000398100000000, -0.0001319400000000 ] - [ 0.0003340600000000, 0.0000698700000000, -0.0017954900000000 ] - [ 0.0000409400000000, -0.0001904000000000, -0.0002699200000000 ] - [ -0.0005774400000000, -0.0003019500000000, 0.0006404400000000 ] - [ 0.0001577300000000, 0.0002285600000000, 0.0008740100000000 ] - [ 0.0002693600000000, 0.0001356700000000, 0.0001078100000000 ] - [ 0.0000019500000000, 0.0000396900000000, -0.0004044200000000 ] - [ -0.0002035700000000, 0.0000339200000000, -0.0005864500000000 ] - [ 0.0004190200000000, 0.0006498300000000, -0.0019826500000000 ] - [ 0.0009275900000000, -0.0005247000000000, -0.0016151700000000 ] - [ 0.0007470900000000, 0.0003295100000000, -0.0001077800000000 ] - [ -0.0012847900000000, -0.0001011000000000, -0.0010439000000000 ] - [ 0.0017005100000000, 0.0029832200000000, 0.0031925300000000 ] - [ -0.0002944600000000, -0.0004401600000000, -0.0009676900000000 ] - [ 0.0036881600000000, 0.0005059900000000, -0.0017279600000000 ] - [ -0.0001490200000000, -0.0024479300000000, -0.0019330000000000 ] - [ -0.0003637600000000, 0.0000232400000000, -0.0003927000000000 ] - [ -0.0004284400000000, -0.0003782100000000, -0.0002938600000000 ] - [ 0.0003239200000000, -0.0003441800000000, -0.0003420900000000 ] - [ -0.0003745100000000, 0.0004092100000000, 0.0002333000000000 ] - [ 0.0003772100000000, 0.0003554300000000, -0.0004251600000000 ] - [ 0.0003963900000000, 0.0006719300000000, 0.0008399500000000 ] - [ 0.0001002800000000, -0.0004897200000000, -0.0013529200000000 ] - [ -0.0018563900000000, 0.0020250000000000, 0.0005658700000000 ] - [ 0.0000006700000000, 0.0001316100000000, 0.0000790200000000 ] - [ -0.0003136100000000, -0.0003792500000000, 0.0003541600000000 ] - [ -0.0003425900000000, -0.0013469800000000, -0.0022863900000000 ] - [ -0.0001695000000000, -0.0001583500000000, 0.0002595900000000 ] - [ -0.0000863600000000, -0.0000379800000000, -0.0002881700000000 ] - [ 0.0001592100000000, 0.0002322400000000, -0.0000037200000000 ] - [ 0.0006526600000000, 0.0006745400000000, 0.0004058000000000 ] - [ 0.0001664800000000, 0.0001882200000000, 0.0003826400000000 ] - [ 0.0001841800000000, -0.0002985900000000, 0.0006555100000000 ] - [ -0.0013151500000000, -0.0003402100000000, -0.0005619000000000 ] - [ -0.0000453200000000, -0.0000993300000000, -0.0000320600000000 ] - [ 0.0002204000000000, -0.0001653300000000, -0.0000260400000000 ] - [ -0.0034047800000000, -0.0003841800000000, -0.0038534700000000 ] - [ -0.0002777300000000, 0.0001139900000000, 0.0004983600000000 ] - [ 0.0003529800000000, 0.0000911200000000, 0.0006194400000000 ] - [ 0.0002486300000000, -0.0010052400000000, -0.0009214300000000 ] - [ 0.0000506800000000, 0.0001445700000000, 0.0000263400000000 ] - [ -0.0004261000000000, -0.0001318900000000, -0.0004374500000000 ] - [ 0.0000930500000000, 0.0002556100000000, -0.0002275900000000 ] - [ 0.0001682100000000, -0.0002506500000000, 0.0003917000000000 ] - [ 0.0001175000000000, -0.0000471500000000, 0.0003932800000000 ] - [ 0.0000805500000000, 0.0003023800000000, 0.0002009600000000 ] - [ -0.0002219000000000, -0.0003008800000000, -0.0004969500000000 ] - [ -0.0000130500000000, -0.0000213600000000, 0.0003253400000000 ] - [ -0.0002026400000000, 0.0002016900000000, 0.0007724700000000 ] - [ -0.0002800500000000, -0.0000609200000000, 0.0002918400000000 ] - [ 0.0000165100000000, 0.0002003900000000, 0.0009261700000000 ] - [ -0.0005098200000000, -0.0001832000000000, -0.0004369500000000 ] - [ 0.0008158600000000, -0.0006081700000000, 0.0008968200000000 ] - [ -0.0005828700000000, 0.0013020100000000, -0.0021180100000000 ] - [ -0.0002518100000000, 0.0002260300000000, 0.0003615900000000 ] - [ 0.0003275200000000, 0.0000610100000000, 0.0003492900000000 ] - [ -0.0002424300000000, -0.0000515700000000, -0.0000759600000000 ] - [ -0.0005233300000000, -0.0000141100000000, -0.0007250100000000 ] - [ -0.0016934800000000, 0.0017172900000000, -0.0015793400000000 ] - [ 0.0002396300000000, -0.0006108700000000, -0.0000038800000000 ] - [ 0.0003337800000000, -0.0002072200000000, -0.0000070600000000 ] - [ -0.0003006700000000, -0.0002119900000000, 0.0004897000000000 ] - [ -0.0004471100000000, 0.0001326100000000, 0.0005357300000000 ] - [ -0.0004979800000000, 0.0002619300000000, 0.0004369900000000 ] - [ -0.0001417900000000, -0.0001068200000000, 0.0004226100000000 ] - [ 0.0053488400000000, -0.0042011200000000, -0.0041877500000000 ] - [ -0.0001488000000000, -0.0000683300000000, 0.0001531000000000 ] - [ 0.0002478600000000, -0.0000914000000000, 0.0001796900000000 ] - [ 0.0023079100000000, 0.0024184200000000, -0.0018503600000000 ] - [ 0.0003996000000000, 0.0008471200000000, 0.0000502000000000 ] - [ 0.0003093900000000, 0.0000577000000000, 0.0004652800000000 ] - [ 0.0001801600000000, 0.0001878500000000, 0.0005888900000000 ]- atom: 7 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0002288600000000, -0.0000073300000000, -0.0003891300000000 ] - [ 0.0001209600000000, -0.0001503000000000, 0.0002345000000000 ] - [ 0.0000335600000000, 0.0000610500000000, 0.0001001600000000 ] - [ -0.0002077700000000, 0.0000851600000000, -0.0001632500000000 ] - [ -0.0003057200000000, 0.0001174300000000, 0.0003791500000000 ] - [ -0.0002415000000000, -0.0000214200000000, -0.0006797100000000 ] - [ -0.0115660300000000, 0.0048707600000000, -0.0029094700000000 ] - [ -0.0002188200000000, -0.0001372600000000, 0.0001904100000000 ] - [ 0.0019162200000000, -0.0001170400000000, 0.0003694600000000 ] - [ 0.0000639800000000, 0.0002699000000000, -0.0001640000000000 ] - [ 0.0000243300000000, 0.0000613000000000, 0.0003544100000000 ] - [ 0.0001718500000000, 0.0002104500000000, -0.0000856700000000 ] - [ 0.0004912200000000, -0.0000654000000000, 0.0000732300000000 ] - [ -0.0001598500000000, -0.0002222700000000, 0.0000703500000000 ] - [ 0.0005145900000000, 0.0004218300000000, 0.0003562000000000 ] - [ -0.0000512200000000, -0.0001564400000000, -0.0001335600000000 ] - [ -0.0000498000000000, -0.0000215700000000, -0.0001227900000000 ] - [ 0.0004695900000000, 0.0000486900000000, 0.0001226600000000 ] - [ 0.0003986700000000, 0.0002003300000000, -0.0001344400000000 ] - [ 0.0000470000000000, 0.0000214500000000, -0.0001238900000000 ] - [ -0.0031805600000000, -0.0001007400000000, -0.0002413600000000 ] - [ 0.0003281200000000, 0.0001589400000000, -0.0001660700000000 ] - [ -0.0001877500000000, -0.0000424400000000, 0.0000443300000000 ] - [ 0.0006109600000000, -0.0014637500000000, 0.0009716000000000 ] - [ 0.0001462900000000, 0.0002200400000000, -0.0013520200000000 ] - [ 0.0002383200000000, -0.0002449500000000, -0.0002272500000000 ] - [ 0.0009213300000000, 0.0014930700000000, 0.0015049700000000 ] - [ 0.0001663100000000, -0.0002221100000000, 0.0000170300000000 ] - [ 0.0002625800000000, -0.0004140100000000, 0.0004282900000000 ] - [ 0.0021492300000000, 0.0004440600000000, 0.0014258200000000 ] - [ -0.0001432200000000, -0.0002608000000000, 0.0004096700000000 ] - [ -0.0003150500000000, 0.0003520100000000, 0.0001121300000000 ] - [ -0.0002297000000000, -0.0042890900000000, -0.0015532400000000 ] - [ 0.0005174000000000, 0.0002611700000000, 0.0004463900000000 ] - [ -0.0025536000000000, -0.0020482200000000, -0.0003106500000000 ] - [ 0.0009507300000000, -0.0008762700000000, -0.0004972200000000 ] - [ -0.0012081800000000, 0.0006211900000000, -0.0001242600000000 ] - [ 0.0019836100000000, 0.0005023200000000, -0.0006275000000000 ] - [ 0.0001584600000000, -0.0001580900000000, 0.0009052500000000 ] - [ 0.0003625300000000, 0.0006015600000000, 0.0003146400000000 ] - [ -0.0000694600000000, 0.0000800800000000, 0.0000839400000000 ] - [ -0.0007977800000000, -0.0004783000000000, -0.0000183200000000 ] - [ 0.0001961300000000, 0.0000854600000000, 0.0000839400000000 ] - [ 0.0016824000000000, 0.0011508300000000, -0.0004841600000000 ] - [ -0.0001914900000000, 0.0000339800000000, -0.0000009300000000 ] - [ -0.0005118600000000, -0.0002613000000000, -0.0005484100000000 ] - [ -0.0000366500000000, -0.0000868100000000, -0.0000654100000000 ] - [ 0.0001157300000000, -0.0001738200000000, -0.0000960300000000 ] - [ -0.0000473700000000, 0.0000829800000000, -0.0000188400000000 ] - [ 0.0014860800000000, -0.0004218600000000, 0.0010490900000000 ] - [ 0.0002380400000000, -0.0000310400000000, 0.0001312600000000 ] - [ -0.0000580900000000, -0.0001817200000000, 0.0001312800000000 ] - [ -0.0011263500000000, 0.0000097000000000, -0.0012820100000000 ] - [ -0.0003896800000000, -0.0000071400000000, -0.0001899900000000 ] - [ 0.0001627500000000, 0.0002006900000000, -0.0001695500000000 ] - [ 0.0013651600000000, 0.0002767200000000, 0.0004917000000000 ] - [ -0.0001066900000000, -0.0001423800000000, -0.0001444600000000 ] - [ 0.0021118100000000, 0.0006037600000000, 0.0015132000000000 ] - [ -0.0004070200000000, -0.0000302300000000, -0.0001346200000000 ] - [ 0.0008132900000000, 0.0003691900000000, -0.0003167100000000 ] - [ -0.0001523200000000, -0.0001981400000000, 0.0000542300000000 ] - [ -0.0000859800000000, 0.0000145900000000, 0.0000971000000000 ] - [ 0.0006987200000000, 0.0005118700000000, 0.0000592300000000 ] - [ -0.0004970100000000, -0.0000894200000000, -0.0000376800000000 ] - [ 0.0010377500000000, -0.0017396200000000, -0.0003238800000000 ] - [ 0.0002164900000000, -0.0000355700000000, 0.0001049500000000 ] - [ -0.0000306500000000, 0.0001860600000000, -0.0002515800000000 ] - [ -0.0001401400000000, 0.0000647800000000, -0.0000262700000000 ] - [ -0.0001665800000000, -0.0000934800000000, -0.0001400800000000 ] - [ -0.0001441700000000, 0.0000197300000000, -0.0000098800000000 ] - [ -0.0001476700000000, 0.0000362800000000, 0.0002742400000000 ] - [ 0.0003022900000000, -0.0000857000000000, -0.0000314900000000 ] - [ -0.0002121800000000, 0.0002730400000000, 0.0002626000000000 ] - [ 0.0000694700000000, -0.0000990200000000, 0.0002603500000000 ] - [ 0.0010269500000000, -0.0002652400000000, -0.0005944300000000 ] - [ -0.0000292700000000, 0.0002116900000000, 0.0000980000000000 ] - [ -0.0003992500000000, 0.0002056800000000, -0.0002169100000000 ] - [ 0.0012656800000000, 0.0003505700000000, 0.0025420800000000 ] - [ -0.0002613300000000, 0.0001263700000000, -0.0002521700000000 ] - [ -0.0002140700000000, -0.0001945400000000, -0.0005477900000000 ] - [ 0.0009261300000000, -0.0005112200000000, -0.0002885400000000 ] - [ 0.0000652600000000, 0.0000673100000000, -0.0000272700000000 ] - [ -0.0003119200000000, 0.0000981400000000, -0.0000434700000000 ] - [ 0.0000969200000000, 0.0000638500000000, 0.0001985500000000 ]- atom: 7 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0003933500000000, 0.0001698600000000, 0.0000676500000000 ] - [ -0.0001183200000000, -0.0000135200000000, -0.0003213400000000 ] - [ -0.0000356400000000, 0.0001018600000000, -0.0000119900000000 ] - [ 0.0005760400000000, 0.0001336400000000, -0.0000655100000000 ] - [ -0.0003163900000000, 0.0000447800000000, -0.0000592500000000 ] - [ 0.0006136900000000, -0.0001960100000000, 0.0004464100000000 ] - [ 0.0113964100000000, -0.0044193700000000, 0.0030200600000000 ] - [ -0.0001517000000000, -0.0000801300000000, 0.0000389900000000 ] - [ -0.0019046400000000, 0.0001153400000000, -0.0007403500000000 ] - [ -0.0004340200000000, -0.0000505000000000, 0.0003914100000000 ] - [ -0.0000502000000000, -0.0000635000000000, 0.0000078800000000 ] - [ 0.0000735700000000, 0.0002157900000000, -0.0000708100000000 ] - [ -0.0005159400000000, 0.0000684300000000, 0.0002892500000000 ] - [ -0.0000860600000000, -0.0002038500000000, 0.0000862200000000 ] - [ -0.0002681000000000, -0.0008428900000000, -0.0005097900000000 ] - [ -0.0005698700000000, -0.0000074400000000, 0.0004509700000000 ] - [ 0.0006707600000000, -0.0001427700000000, -0.0001949100000000 ] - [ -0.0004696500000000, -0.0002104500000000, -0.0000352400000000 ] - [ -0.0003952400000000, -0.0000375400000000, 0.0000471900000000 ] - [ -0.0000202400000000, -0.0000188500000000, -0.0002377400000000 ] - [ 0.0041009000000000, -0.0000946000000000, 0.0001838700000000 ] - [ 0.0005938600000000, 0.0000369600000000, 0.0001077400000000 ] - [ -0.0007346100000000, -0.0001536000000000, 0.0000159100000000 ] - [ -0.0015302800000000, 0.0016444200000000, -0.0009030700000000 ] - [ 0.0002392300000000, 0.0002703000000000, 0.0005421600000000 ] - [ -0.0001478300000000, -0.0002129200000000, -0.0001407200000000 ] - [ -0.0008240000000000, -0.0010229900000000, -0.0018835400000000 ] - [ 0.0004870300000000, -0.0004464600000000, -0.0000392700000000 ] - [ -0.0003490000000000, -0.0000471400000000, -0.0000600200000000 ] - [ -0.0027851900000000, -0.0011094200000000, -0.0013970200000000 ] - [ -0.0002409000000000, -0.0002301400000000, 0.0003985400000000 ] - [ -0.0003391000000000, 0.0003165800000000, -0.0000903700000000 ] - [ 0.0008841400000000, 0.0049854600000000, 0.0015369200000000 ] - [ -0.0006067800000000, 0.0001999600000000, -0.0000766400000000 ] - [ 0.0029270500000000, 0.0015566900000000, -0.0005029000000000 ] - [ -0.0013344700000000, 0.0013679700000000, 0.0013082300000000 ] - [ 0.0012074600000000, -0.0004567100000000, 0.0001077700000000 ] - [ -0.0023380500000000, -0.0008056800000000, 0.0007741100000000 ] - [ -0.0000461500000000, -0.0001760100000000, -0.0004561300000000 ] - [ -0.0003674600000000, -0.0007639200000000, -0.0002961200000000 ] - [ 0.0002105800000000, 0.0002099900000000, 0.0003199300000000 ] - [ 0.0010523700000000, 0.0008091600000000, -0.0000703300000000 ] - [ 0.0000074600000000, 0.0001215000000000, 0.0000844100000000 ] - [ -0.0015209100000000, -0.0011304600000000, 0.0003359600000000 ] - [ 0.0003300100000000, -0.0003228000000000, 0.0004068800000000 ] - [ 0.0004868000000000, 0.0001282800000000, 0.0003974700000000 ] - [ 0.0000393500000000, -0.0000750300000000, 0.0000497000000000 ] - [ 0.0001443100000000, -0.0001637600000000, 0.0000067000000000 ] - [ -0.0002128800000000, 0.0002551400000000, 0.0001081500000000 ] - [ -0.0019080400000000, 0.0008082000000000, -0.0008958100000000 ] - [ 0.0003305000000000, 0.0000095800000000, -0.0001178700000000 ] - [ 0.0001754000000000, -0.0002611900000000, -0.0003319100000000 ] - [ 0.0009535000000000, 0.0001997800000000, 0.0011106600000000 ] - [ 0.0004086400000000, -0.0001251200000000, 0.0003419000000000 ] - [ 0.0002447000000000, 0.0001445300000000, 0.0000086900000000 ] - [ -0.0011624700000000, -0.0004809300000000, -0.0003237200000000 ] - [ -0.0000346200000000, -0.0001484600000000, -0.0002614700000000 ] - [ -0.0019606800000000, -0.0001791700000000, -0.0016678100000000 ] - [ 0.0000639800000000, -0.0001169300000000, -0.0001221200000000 ] - [ -0.0009393100000000, -0.0005751800000000, -0.0001562100000000 ] - [ -0.0002547100000000, -0.0001464500000000, 0.0001049400000000 ] - [ -0.0000707200000000, 0.0000156800000000, 0.0000537500000000 ] - [ -0.0005840400000000, -0.0001760700000000, 0.0003878300000000 ] - [ -0.0000728400000000, 0.0001089900000000, 0.0000237400000000 ] - [ -0.0008982700000000, 0.0019003000000000, 0.0007810100000000 ] - [ -0.0000604300000000, 0.0000058400000000, -0.0002570700000000 ] - [ -0.0000819100000000, 0.0001485100000000, -0.0001951800000000 ] - [ 0.0001214600000000, 0.0000658900000000, -0.0001252400000000 ] - [ -0.0000360300000000, -0.0001131300000000, -0.0000275100000000 ] - [ 0.0000155600000000, 0.0001875200000000, -0.0004623600000000 ] - [ 0.0000355100000000, -0.0003699900000000, -0.0007204700000000 ] - [ -0.0004192100000000, -0.0003591800000000, 0.0002324700000000 ] - [ 0.0000606400000000, -0.0003024100000000, -0.0001074400000000 ] - [ 0.0000600800000000, -0.0001073200000000, 0.0002111000000000 ] - [ -0.0012091300000000, 0.0005133400000000, 0.0001857400000000 ] - [ -0.0000871000000000, 0.0002309700000000, 0.0001014100000000 ] - [ -0.0001711400000000, -0.0002257500000000, 0.0002031700000000 ] - [ -0.0009257000000000, -0.0005165000000000, -0.0023172300000000 ] - [ -0.0000816300000000, 0.0000217300000000, -0.0000049600000000 ] - [ 0.0006186300000000, -0.0001505300000000, 0.0003824600000000 ] - [ -0.0003570200000000, 0.0005302500000000, 0.0003035500000000 ] - [ -0.0000680700000000, 0.0000939300000000, 0.0000432400000000 ] - [ 0.0003286300000000, 0.0000340100000000, 0.0001944500000000 ] - [ 0.0002450900000000, 0.0000816300000000, 0.0000568400000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003610900000000, 0.0004169000000000, 0.0000392800000000 ] - [ 0.0000536800000000, -0.0001536600000000, 0.0000594700000000 ] - [ -0.0000186200000000, 0.0000904500000000, 0.0000611100000000 ] - [ 0.0001210300000000, 0.0001579800000000, 0.0001658200000000 ] - [ -0.0003451700000000, 0.0000019800000000, 0.0000909300000000 ] - [ 0.0002243300000000, -0.0006149400000000, 0.0001790100000000 ] - [ 0.0045690000000000, -0.0150224800000000, -0.0014155200000000 ] - [ -0.0002083900000000, -0.0000283000000000, 0.0000865100000000 ] - [ -0.0001615700000000, -0.0005028500000000, -0.0003771500000000 ] - [ -0.0000687300000000, 0.0002021800000000, 0.0000612000000000 ] - [ -0.0000094600000000, 0.0000675100000000, 0.0002280400000000 ] - [ 0.0001242700000000, 0.0002356900000000, -0.0000586700000000 ] - [ -0.0002504000000000, 0.0000430700000000, 0.0002929500000000 ] - [ -0.0001124000000000, -0.0002317000000000, 0.0000723700000000 ] - [ 0.0007567400000000, 0.0001286500000000, 0.0001876000000000 ] - [ -0.0003642400000000, -0.0001562400000000, 0.0002083400000000 ] - [ 0.0003484800000000, 0.0001784700000000, -0.0006122000000000 ] - [ -0.0001574400000000, 0.0002798900000000, -0.0001053200000000 ] - [ -0.0000158300000000, -0.0000373000000000, -0.0000443200000000 ] - [ -0.0000053900000000, -0.0000092000000000, -0.0001679700000000 ] - [ 0.0012810000000000, 0.0066700200000000, -0.0005766600000000 ] - [ 0.0004605900000000, 0.0001411200000000, 0.0000465900000000 ] - [ -0.0004029100000000, -0.0002008000000000, 0.0000402600000000 ] - [ -0.0015759300000000, 0.0000785800000000, -0.0003531100000000 ] - [ 0.0001532600000000, 0.0003395000000000, -0.0006264700000000 ] - [ 0.0000415600000000, -0.0003057400000000, -0.0001176300000000 ] - [ 0.0002808200000000, 0.0008516200000000, 0.0021135900000000 ] - [ 0.0003013100000000, -0.0002331900000000, 0.0000368900000000 ] - [ -0.0001419200000000, -0.0000182400000000, 0.0000709100000000 ] - [ -0.0003034700000000, -0.0003265100000000, 0.0001168200000000 ] - [ -0.0002535400000000, -0.0002312500000000, 0.0006251400000000 ] - [ -0.0003780700000000, 0.0003440400000000, 0.0000411900000000 ] - [ -0.0039793700000000, 0.0032130700000000, 0.0026795600000000 ] - [ -0.0002314400000000, 0.0003080600000000, 0.0001510700000000 ] - [ -0.0015392800000000, 0.0001469500000000, -0.0015873400000000 ] - [ -0.0000407200000000, 0.0036955900000000, 0.0010388500000000 ] - [ -0.0000855600000000, 0.0002153400000000, -0.0000508300000000 ] - [ 0.0002721000000000, 0.0003870200000000, -0.0002350500000000 ] - [ 0.0000602000000000, -0.0002088900000000, 0.0003990100000000 ] - [ 0.0006542500000000, -0.0011675000000000, -0.0003829400000000 ] - [ 0.0001169200000000, 0.0001637100000000, 0.0002405700000000 ] - [ 0.0002924500000000, 0.0003611100000000, -0.0000375000000000 ] - [ 0.0000876500000000, 0.0000620500000000, 0.0000784700000000 ] - [ 0.0011911400000000, 0.0011473900000000, -0.0013122300000000 ] - [ 0.0001815100000000, -0.0003201500000000, 0.0002831600000000 ] - [ -0.0002447100000000, -0.0001461200000000, -0.0005652800000000 ] - [ 0.0000143100000000, -0.0000710300000000, -0.0000180400000000 ] - [ 0.0001391600000000, -0.0001815800000000, -0.0000484500000000 ] - [ -0.0001054300000000, 0.0001125000000000, -0.0000053700000000 ] - [ -0.0018243300000000, 0.0018974500000000, -0.0015060200000000 ] - [ 0.0003045500000000, 0.0000180600000000, -0.0001083000000000 ] - [ -0.0000181700000000, -0.0001575500000000, 0.0000042600000000 ] - [ -0.0003184700000000, 0.0002786900000000, -0.0001669400000000 ] - [ 0.0001478900000000, -0.0000934700000000, 0.0001282800000000 ] - [ 0.0002051000000000, 0.0001803100000000, -0.0000956700000000 ] - [ 0.0006727000000000, -0.0005336000000000, 0.0006653900000000 ] - [ -0.0000782700000000, -0.0001403500000000, -0.0002401800000000 ] - [ -0.0000787800000000, 0.0005658500000000, -0.0006750400000000 ] - [ -0.0001516900000000, -0.0001188200000000, -0.0001176100000000 ] - [ 0.0002102800000000, -0.0005267500000000, -0.0001636200000000 ] - [ -0.0002022600000000, -0.0001881900000000, 0.0000341200000000 ] - [ -0.0001297000000000, 0.0000460400000000, -0.0000315800000000 ] - [ 0.0002964600000000, 0.0001609500000000, 0.0008033500000000 ] - [ -0.0002573900000000, 0.0000334800000000, 0.0000202400000000 ] - [ -0.0016206700000000, 0.0014395800000000, 0.0007672500000000 ] - [ 0.0001183800000000, -0.0000097800000000, -0.0000339000000000 ] - [ -0.0000252600000000, 0.0001765900000000, -0.0003557900000000 ] - [ -0.0000112700000000, 0.0001022300000000, -0.0001439600000000 ] - [ -0.0000949400000000, -0.0000874500000000, -0.0000678600000000 ] - [ -0.0000818400000000, 0.0000769400000000, -0.0002249000000000 ] - [ -0.0000515600000000, -0.0007947400000000, -0.0003764000000000 ] - [ -0.0004445500000000, -0.0017934600000000, 0.0002058800000000 ] - [ 0.0002478300000000, -0.0007568400000000, -0.0000577200000000 ] - [ 0.0000875600000000, -0.0000562900000000, 0.0001707400000000 ] - [ 0.0003538100000000, 0.0001120300000000, -0.0006270200000000 ] - [ -0.0000179300000000, 0.0001936800000000, 0.0000433600000000 ] - [ -0.0002083200000000, -0.0001230700000000, 0.0000781300000000 ] - [ 0.0009159500000000, 0.0006586000000000, 0.0013220100000000 ] - [ -0.0001709700000000, -0.0000579100000000, -0.0001469800000000 ] - [ 0.0003050600000000, -0.0000003100000000, -0.0001190700000000 ] - [ 0.0004798700000000, -0.0005807100000000, -0.0002003300000000 ] - [ 0.0000036600000000, 0.0000555500000000, 0.0000147900000000 ] - [ 0.0001583800000000, 0.0000203500000000, 0.0001197100000000 ] - [ 0.0001920500000000, 0.0001301300000000, 0.0000846700000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002514800000000, -0.0002470600000000, -0.0003556900000000 ] - [ -0.0000457600000000, -0.0000072600000000, -0.0001492500000000 ] - [ 0.0000110900000000, 0.0000698400000000, 0.0000294600000000 ] - [ 0.0002464600000000, 0.0000612400000000, -0.0003966300000000 ] - [ -0.0002672100000000, 0.0001670000000000, 0.0002252400000000 ] - [ 0.0001455700000000, 0.0003966700000000, -0.0004128900000000 ] - [ -0.0047101400000000, 0.0155122000000000, 0.0015221800000000 ] - [ -0.0001605000000000, -0.0001885700000000, 0.0001432300000000 ] - [ 0.0001925400000000, 0.0004992900000000, 0.0000171600000000 ] - [ -0.0002996000000000, 0.0000131300000000, 0.0001686700000000 ] - [ -0.0000176300000000, -0.0000693800000000, 0.0001325300000000 ] - [ 0.0001201500000000, 0.0001971800000000, -0.0000944300000000 ] - [ 0.0002232600000000, -0.0000414800000000, 0.0000677600000000 ] - [ -0.0001321800000000, -0.0002011300000000, 0.0000805100000000 ] - [ -0.0005093600000000, -0.0005629300000000, -0.0003387500000000 ] - [ -0.0002471100000000, -0.0000115600000000, 0.0001085700000000 ] - [ 0.0002637100000000, -0.0003487400000000, 0.0002924500000000 ] - [ 0.0001501600000000, -0.0004397900000000, 0.0001953800000000 ] - [ 0.0000229400000000, 0.0001982000000000, -0.0000465400000000 ] - [ 0.0000326200000000, 0.0000113800000000, -0.0001926200000000 ] - [ -0.0003882800000000, -0.0069091900000000, 0.0005167500000000 ] - [ 0.0004561600000000, 0.0000548700000000, -0.0001147300000000 ] - [ -0.0005139400000000, 0.0000034900000000, 0.0000300200000000 ] - [ 0.0006629500000000, 0.0001271700000000, 0.0004294500000000 ] - [ 0.0002259200000000, 0.0001499200000000, -0.0001802600000000 ] - [ 0.0000456500000000, -0.0001396500000000, -0.0002414800000000 ] - [ -0.0001950400000000, -0.0003874200000000, -0.0024884000000000 ] - [ 0.0003500500000000, -0.0004230500000000, -0.0000479300000000 ] - [ 0.0000546100000000, -0.0004283100000000, 0.0002885100000000 ] - [ -0.0003555100000000, -0.0003321000000000, -0.0001133600000000 ] - [ -0.0001255300000000, -0.0002582200000000, 0.0001865600000000 ] - [ -0.0002744300000000, 0.0003124600000000, -0.0000308400000000 ] - [ 0.0045716000000000, -0.0025329600000000, -0.0026595700000000 ] - [ 0.0001432600000000, 0.0001386800000000, 0.0002088700000000 ] - [ 0.0019228500000000, -0.0006275500000000, 0.0007809500000000 ] - [ -0.0003240300000000, -0.0032084400000000, -0.0002260100000000 ] - [ 0.0001010900000000, -0.0000512500000000, 0.0000350800000000 ] - [ -0.0005310500000000, -0.0007218000000000, 0.0003205100000000 ] - [ 0.0000560800000000, -0.0001254500000000, 0.0000358600000000 ] - [ -0.0006598300000000, 0.0009989100000000, 0.0003983800000000 ] - [ 0.0000366900000000, 0.0001427800000000, 0.0001679100000000 ] - [ -0.0000301800000000, -0.0000156800000000, -0.0000483200000000 ] - [ 0.0001137500000000, 0.0001526100000000, 0.0000926600000000 ] - [ -0.0010354900000000, -0.0011712700000000, 0.0012380200000000 ] - [ -0.0000284200000000, 0.0000139300000000, 0.0001264400000000 ] - [ 0.0002029200000000, 0.0000059100000000, 0.0004061600000000 ] - [ -0.0000022500000000, -0.0000968200000000, 0.0000011200000000 ] - [ 0.0001229100000000, -0.0001637500000000, -0.0000391200000000 ] - [ -0.0001567000000000, 0.0002331900000000, 0.0000932700000000 ] - [ 0.0013356800000000, -0.0014431300000000, 0.0016233700000000 ] - [ 0.0002676900000000, -0.0000412300000000, 0.0001049800000000 ] - [ 0.0001041900000000, -0.0002798800000000, -0.0001932100000000 ] - [ 0.0001210300000000, -0.0000622000000000, 0.0000030000000000 ] - [ -0.0001090600000000, -0.0000428400000000, 0.0000330600000000 ] - [ 0.0002090800000000, 0.0001537500000000, -0.0000571000000000 ] - [ -0.0004708000000000, 0.0003737700000000, -0.0004616900000000 ] - [ -0.0000749200000000, -0.0001662800000000, -0.0001699300000000 ] - [ 0.0001674200000000, -0.0001345600000000, 0.0004892700000000 ] - [ -0.0002086100000000, -0.0000055000000000, -0.0001332300000000 ] - [ -0.0003522900000000, 0.0003320600000000, -0.0002944700000000 ] - [ -0.0002113100000000, -0.0001462500000000, 0.0001180200000000 ] - [ -0.0000508400000000, -0.0000005800000000, 0.0001590000000000 ] - [ -0.0001819300000000, 0.0001721000000000, -0.0003679300000000 ] - [ -0.0003152400000000, -0.0000108500000000, -0.0000176500000000 ] - [ 0.0018428000000000, -0.0013593200000000, -0.0003596000000000 ] - [ 0.0000610800000000, -0.0000347900000000, -0.0000959300000000 ] - [ -0.0000917100000000, 0.0001580900000000, -0.0000809300000000 ] - [ -0.0000258700000000, 0.0000336500000000, -0.0000174500000000 ] - [ -0.0001051800000000, -0.0001271000000000, -0.0001018000000000 ] - [ -0.0000611300000000, 0.0001149000000000, -0.0002321100000000 ] - [ -0.0000692600000000, 0.0004608600000000, -0.0000541900000000 ] - [ 0.0003560400000000, 0.0013514600000000, -0.0000181200000000 ] - [ -0.0004296300000000, 0.0007107300000000, 0.0001856200000000 ] - [ 0.0000564500000000, -0.0001335100000000, 0.0002838100000000 ] - [ -0.0005380000000000, 0.0001501300000000, 0.0002184800000000 ] - [ -0.0000670600000000, 0.0002432300000000, 0.0001437700000000 ] - [ -0.0003646700000000, 0.0000993500000000, -0.0000747000000000 ] - [ -0.0005592900000000, -0.0007844000000000, -0.0010676700000000 ] - [ -0.0001891300000000, 0.0001831700000000, -0.0001041700000000 ] - [ 0.0001092600000000, -0.0003349600000000, -0.0000314600000000 ] - [ 0.0000974800000000, 0.0005992800000000, 0.0001988000000000 ] - [ -0.0000157800000000, 0.0001120200000000, 0.0000026700000000 ] - [ -0.0001207400000000, 0.0001161400000000, 0.0000414100000000 ] - [ 0.0001679700000000, -0.0000065500000000, 0.0001652400000000 ]- atom: 7 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0001997300000000, -0.0000340900000000, 0.0001878400000000 ] - [ 0.0001827100000000, -0.0001250900000000, 0.0002854100000000 ] - [ 0.0000067000000000, 0.0000893000000000, 0.0001943500000000 ] - [ 0.0000173800000000, 0.0005075400000000, 0.0003958700000000 ] - [ -0.0001645200000000, 0.0001455000000000, 0.0004542300000000 ] - [ -0.0002582500000000, 0.0000495900000000, 0.0017610700000000 ] - [ -0.0006665100000000, -0.0021198300000000, -0.0142243600000000 ] - [ -0.0001074900000000, -0.0001610500000000, 0.0003049500000000 ] - [ 0.0004237100000000, -0.0001754300000000, -0.0007630800000000 ] - [ -0.0003952600000000, 0.0000095300000000, 0.0000253900000000 ] - [ -0.0000036400000000, 0.0000371600000000, 0.0003135600000000 ] - [ 0.0001062000000000, 0.0001979600000000, 0.0000341800000000 ] - [ -0.0002239600000000, 0.0000487600000000, 0.0002803900000000 ] - [ -0.0001222500000000, -0.0002090100000000, 0.0002950300000000 ] - [ 0.0004640100000000, -0.0000881900000000, -0.0003412800000000 ] - [ -0.0004256000000000, -0.0000361800000000, 0.0000856000000000 ] - [ 0.0003286600000000, -0.0005900600000000, 0.0003203700000000 ] - [ -0.0000395600000000, 0.0000421300000000, -0.0002216900000000 ] - [ -0.0001990000000000, 0.0000121800000000, -0.0000307700000000 ] - [ -0.0000057900000000, -0.0000131100000000, -0.0000280400000000 ] - [ 0.0009664600000000, -0.0000612100000000, -0.0035822500000000 ] - [ 0.0004980500000000, 0.0000353500000000, 0.0007795900000000 ] - [ -0.0007026600000000, -0.0001490600000000, 0.0006222100000000 ] - [ 0.0007221900000000, -0.0003362600000000, -0.0019404100000000 ] - [ 0.0002956000000000, 0.0002378300000000, 0.0013680700000000 ] - [ -0.0001319300000000, 0.0000228200000000, 0.0002397500000000 ] - [ 0.0020406700000000, 0.0039543400000000, -0.0022959900000000 ] - [ 0.0002625200000000, -0.0002272100000000, 0.0002710400000000 ] - [ 0.0000809300000000, -0.0003769600000000, -0.0000221500000000 ] - [ -0.0009745800000000, -0.0006247400000000, -0.0006381400000000 ] - [ -0.0002476800000000, -0.0003389100000000, 0.0011831900000000 ] - [ -0.0002989100000000, 0.0003760700000000, 0.0002350500000000 ] - [ -0.0009400800000000, 0.0040007500000000, -0.0024456100000000 ] - [ 0.0000227000000000, 0.0002694700000000, 0.0004479900000000 ] - [ 0.0007797500000000, -0.0016640000000000, 0.0012092400000000 ] - [ -0.0010342900000000, 0.0006815900000000, 0.0010751900000000 ] - [ 0.0001471200000000, -0.0000190100000000, 0.0002429600000000 ] - [ -0.0014297300000000, -0.0008198400000000, 0.0016190800000000 ] - [ 0.0000811200000000, -0.0001410600000000, -0.0011546100000000 ] - [ 0.0000872300000000, -0.0005430000000000, 0.0007896500000000 ] - [ 0.0000721400000000, 0.0001401700000000, 0.0000321200000000 ] - [ 0.0002987000000000, 0.0002447800000000, 0.0001709300000000 ] - [ 0.0000809900000000, 0.0000444800000000, -0.0001211600000000 ] - [ -0.0010215600000000, -0.0007111000000000, 0.0015290600000000 ] - [ -0.0000089300000000, -0.0001151900000000, 0.0003388300000000 ] - [ -0.0008072700000000, -0.0008073000000000, 0.0001761600000000 ] - [ 0.0000190700000000, -0.0000817300000000, -0.0001553000000000 ] - [ 0.0001469400000000, -0.0002312800000000, -0.0001695200000000 ] - [ -0.0000897200000000, 0.0000397700000000, -0.0001188700000000 ] - [ 0.0001089700000000, -0.0005425100000000, 0.0020397700000000 ] - [ 0.0003512000000000, -0.0000652500000000, -0.0003751600000000 ] - [ 0.0003244500000000, -0.0003572200000000, -0.0005720200000000 ] - [ -0.0001273600000000, 0.0001122500000000, 0.0006330100000000 ] - [ -0.0001284300000000, -0.0000632600000000, -0.0000301400000000 ] - [ 0.0002164500000000, 0.0001531100000000, -0.0003080000000000 ] - [ 0.0005451300000000, -0.0007058000000000, 0.0016192000000000 ] - [ -0.0000472700000000, -0.0002214800000000, -0.0005914800000000 ] - [ 0.0007825600000000, 0.0005822600000000, 0.0018746800000000 ] - [ -0.0002051500000000, -0.0000747200000000, -0.0001840700000000 ] - [ -0.0007103700000000, 0.0003869800000000, 0.0003390000000000 ] - [ -0.0001698600000000, -0.0001841300000000, -0.0001950100000000 ] - [ -0.0001354200000000, 0.0001093000000000, -0.0002181800000000 ] - [ 0.0000274700000000, 0.0003885300000000, -0.0003767300000000 ] - [ -0.0002795300000000, 0.0000220100000000, -0.0001280400000000 ] - [ -0.0005719800000000, 0.0014062100000000, 0.0002891800000000 ] - [ 0.0000387900000000, 0.0001212400000000, -0.0004814000000000 ] - [ -0.0000547400000000, 0.0001229000000000, -0.0008209900000000 ] - [ 0.0000027300000000, 0.0000277700000000, -0.0002655900000000 ] - [ -0.0001557400000000, -0.0001717400000000, -0.0002997800000000 ] - [ 0.0001044300000000, 0.0003372500000000, -0.0007514900000000 ] - [ 0.0000243300000000, -0.0002257800000000, 0.0000300200000000 ] - [ -0.0001512200000000, -0.0002544100000000, 0.0002290200000000 ] - [ 0.0003539100000000, 0.0000252800000000, 0.0004236500000000 ] - [ 0.0001074600000000, -0.0000354800000000, -0.0000397600000000 ] - [ -0.0004902000000000, -0.0007068300000000, 0.0014194900000000 ] - [ 0.0000345800000000, 0.0002605000000000, -0.0001690500000000 ] - [ -0.0003998000000000, 0.0001382600000000, 0.0001380600000000 ] - [ 0.0019148400000000, -0.0001447200000000, 0.0067977200000000 ] - [ -0.0001906600000000, 0.0001073700000000, -0.0001458300000000 ] - [ 0.0001556500000000, -0.0002187300000000, 0.0004697300000000 ] - [ 0.0003443700000000, -0.0008559600000000, 0.0009054900000000 ] - [ 0.0000381900000000, 0.0000906600000000, -0.0001436600000000 ] - [ -0.0000718700000000, 0.0000990800000000, 0.0000387100000000 ] - [ 0.0003819700000000, -0.0000501400000000, -0.0001654900000000 ]- atom: 7 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0004222200000000, 0.0001966400000000, -0.0005098600000000 ] - [ -0.0001776100000000, -0.0000377900000000, -0.0003743100000000 ] - [ -0.0000126100000000, 0.0000727600000000, -0.0001052600000000 ] - [ 0.0003517100000000, -0.0002937500000000, -0.0006292500000000 ] - [ -0.0004567900000000, 0.0000160600000000, -0.0001353800000000 ] - [ 0.0006229100000000, -0.0002654800000000, -0.0019709300000000 ] - [ 0.0005602200000000, 0.0026554400000000, 0.0144044700000000 ] - [ -0.0002622600000000, -0.0000559600000000, -0.0000763500000000 ] - [ -0.0003944900000000, 0.0001725600000000, 0.0004041600000000 ] - [ 0.0000258400000000, 0.0002089700000000, 0.0002062600000000 ] - [ -0.0000227500000000, -0.0000395600000000, 0.0000488900000000 ] - [ 0.0001399000000000, 0.0002283200000000, -0.0001905300000000 ] - [ 0.0001980900000000, -0.0000461100000000, 0.0000806100000000 ] - [ -0.0001238000000000, -0.0002172500000000, -0.0001388100000000 ] - [ -0.0002206300000000, -0.0003399300000000, 0.0001818500000000 ] - [ -0.0001949300000000, -0.0001271200000000, 0.0002360300000000 ] - [ 0.0002927200000000, 0.0004327200000000, -0.0006426300000000 ] - [ 0.0000348200000000, -0.0002036700000000, 0.0003123800000000 ] - [ 0.0002042200000000, 0.0001496600000000, -0.0000604600000000 ] - [ 0.0000321800000000, 0.0000154300000000, -0.0003343300000000 ] - [ -0.0000460700000000, -0.0001358200000000, 0.0035171400000000 ] - [ 0.0004220500000000, 0.0001617700000000, -0.0008411200000000 ] - [ -0.0002151200000000, -0.0000471700000000, -0.0005608300000000 ] - [ -0.0016447300000000, 0.0005350600000000, 0.0019950400000000 ] - [ 0.0000868700000000, 0.0002512200000000, -0.0021908300000000 ] - [ 0.0002188500000000, -0.0004807600000000, -0.0006093300000000 ] - [ -0.0019555200000000, -0.0035000600000000, 0.0019276700000000 ] - [ 0.0003905100000000, -0.0004411500000000, -0.0002934700000000 ] - [ -0.0001691400000000, -0.0000838800000000, 0.0003880600000000 ] - [ 0.0003183900000000, -0.0000426900000000, 0.0006496000000000 ] - [ -0.0001357000000000, -0.0001516000000000, -0.0003751400000000 ] - [ -0.0003544700000000, 0.0002921200000000, -0.0002134500000000 ] - [ 0.0015873600000000, -0.0033262300000000, 0.0024086700000000 ] - [ -0.0001115500000000, 0.0001929700000000, -0.0000770300000000 ] - [ -0.0003939600000000, 0.0011684500000000, -0.0020142200000000 ] - [ 0.0006461000000000, -0.0001882600000000, -0.0002640800000000 ] - [ -0.0001429100000000, 0.0001789500000000, -0.0002559300000000 ] - [ 0.0011148000000000, 0.0005029800000000, -0.0015001400000000 ] - [ 0.0000304800000000, -0.0001928900000000, 0.0016150100000000 ] - [ -0.0000898600000000, 0.0003827800000000, -0.0007713300000000 ] - [ 0.0000686000000000, 0.0001494600000000, 0.0003704900000000 ] - [ -0.0000390400000000, 0.0000903600000000, -0.0002574100000000 ] - [ 0.0001225900000000, 0.0001626200000000, 0.0002902500000000 ] - [ 0.0011612800000000, 0.0006791800000000, -0.0016319000000000 ] - [ 0.0001484600000000, -0.0001740400000000, 0.0000692700000000 ] - [ 0.0007847300000000, 0.0006760800000000, -0.0003271000000000 ] - [ -0.0000166900000000, -0.0000801800000000, 0.0001400700000000 ] - [ 0.0001126000000000, -0.0001054700000000, 0.0000806800000000 ] - [ -0.0001698400000000, 0.0002975800000000, 0.0002085000000000 ] - [ -0.0005152800000000, 0.0008902900000000, -0.0018726500000000 ] - [ 0.0002193800000000, 0.0000435200000000, 0.0003885400000000 ] - [ -0.0002094800000000, -0.0000839600000000, 0.0003745900000000 ] - [ -0.0000690100000000, 0.0000935200000000, -0.0007916900000000 ] - [ 0.0001477000000000, -0.0000690100000000, 0.0001806700000000 ] - [ 0.0001905900000000, 0.0001924100000000, 0.0001473900000000 ] - [ -0.0003413900000000, 0.0005272500000000, -0.0014303700000000 ] - [ -0.0000933700000000, -0.0000690000000000, 0.0001864400000000 ] - [ -0.0006214900000000, -0.0001644200000000, -0.0020258800000000 ] - [ -0.0001379400000000, -0.0000728600000000, -0.0000736500000000 ] - [ 0.0005800600000000, -0.0005914200000000, -0.0008104100000000 ] - [ -0.0002370800000000, -0.0001606900000000, 0.0003545800000000 ] - [ -0.0000226300000000, -0.0000787700000000, 0.0003687400000000 ] - [ 0.0000842900000000, -0.0000529500000000, 0.0008260900000000 ] - [ -0.0002913100000000, -0.0000025800000000, 0.0001125000000000 ] - [ 0.0007056700000000, -0.0012098800000000, 0.0001861500000000 ] - [ 0.0001177500000000, -0.0001516900000000, 0.0003312500000000 ] - [ -0.0000589000000000, 0.0002109100000000, 0.0003746300000000 ] - [ -0.0000193600000000, 0.0001031500000000, 0.0001158100000000 ] - [ -0.0000475700000000, -0.0000347000000000, 0.0001327800000000 ] - [ -0.0002347600000000, -0.0001319400000000, 0.0002829900000000 ] - [ -0.0001360600000000, -0.0001085100000000, -0.0004794900000000 ] - [ 0.0000341200000000, -0.0001911000000000, -0.0000282000000000 ] - [ -0.0005077100000000, -0.0000558700000000, -0.0002704600000000 ] - [ 0.0000218500000000, -0.0001707600000000, 0.0005110400000000 ] - [ 0.0003534600000000, 0.0009993200000000, -0.0018273100000000 ] - [ -0.0001505700000000, 0.0001815100000000, 0.0003686500000000 ] - [ -0.0001702100000000, -0.0001596300000000, -0.0001491700000000 ] - [ -0.0016763000000000, -0.0000676300000000, -0.0067280700000000 ] - [ -0.0001527500000000, 0.0000403000000000, -0.0001096800000000 ] - [ 0.0002509100000000, -0.0001275500000000, -0.0006281300000000 ] - [ 0.0002267800000000, 0.0008794200000000, -0.0008951700000000 ] - [ -0.0000404500000000, 0.0000705000000000, 0.0001595300000000 ] - [ 0.0000901500000000, 0.0000333800000000, 0.0001135800000000 ] - [ -0.0000371600000000, 0.0001961300000000, 0.0004206500000000 ]- atom: 9 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0003212400000000, 0.0001200500000000, 0.0000505900000000 ] - [ -0.0003860200000000, -0.0000210700000000, -0.0006755700000000 ] - [ -0.0000618800000000, 0.0000936100000000, -0.0000339100000000 ] - [ 0.0005775000000000, 0.0000314700000000, -0.0003537200000000 ] - [ -0.0001951500000000, 0.0000867000000000, 0.0000462500000000 ] - [ 0.0002877100000000, -0.0001759000000000, 0.0001260200000000 ] - [ 0.0017969900000000, 0.0000356800000000, 0.0009037600000000 ] - [ -0.0000792200000000, -0.0001108100000000, 0.0000924100000000 ] - [ -0.0172452500000000, 0.0046743800000000, 0.0048712800000000 ] - [ 0.0004633400000000, -0.0003166400000000, 0.0005075200000000 ] - [ -0.0001193200000000, -0.0001174900000000, -0.0000157400000000 ] - [ 0.0001595000000000, 0.0002087600000000, -0.0000613100000000 ] - [ -0.0005310200000000, -0.0001306900000000, -0.0000889600000000 ] - [ -0.0000896100000000, -0.0001937800000000, 0.0000651300000000 ] - [ 0.0006259500000000, -0.0004500800000000, -0.0001887000000000 ] - [ 0.0005515400000000, 0.0005577600000000, 0.0008200600000000 ] - [ 0.0005773900000000, -0.0000388100000000, -0.0004278500000000 ] - [ -0.0008254100000000, -0.0005258100000000, 0.0000865000000000 ] - [ -0.0004814700000000, 0.0001318400000000, -0.0003188400000000 ] - [ -0.0000373300000000, -0.0000099100000000, -0.0002634200000000 ] - [ 0.0024717000000000, 0.0003058200000000, 0.0007519400000000 ] - [ 0.0005672600000000, 0.0000208300000000, -0.0000551300000000 ] - [ -0.0002774800000000, 0.0000783700000000, 0.0007046600000000 ] - [ 0.0016369900000000, 0.0014153400000000, -0.0006665500000000 ] - [ 0.0003953400000000, 0.0002382800000000, -0.0004244200000000 ] - [ -0.0002447300000000, -0.0002297800000000, -0.0002925700000000 ] - [ -0.0004939400000000, -0.0052860400000000, -0.0020309700000000 ] - [ 0.0004464700000000, -0.0004889400000000, -0.0000941500000000 ] - [ -0.0003455100000000, -0.0002182900000000, -0.0003082600000000 ] - [ 0.0036052100000000, 0.0004087400000000, -0.0021157600000000 ] - [ -0.0001502600000000, -0.0002841400000000, 0.0005456500000000 ] - [ -0.0003198600000000, 0.0002828600000000, 0.0000529400000000 ] - [ 0.0007363300000000, 0.0010359300000000, 0.0018128600000000 ] - [ -0.0017107100000000, -0.0010197400000000, 0.0002532200000000 ] - [ 0.0010687200000000, 0.0000596500000000, -0.0001890200000000 ] - [ 0.0007898300000000, 0.0004862100000000, 0.0005008700000000 ] - [ 0.0012400100000000, 0.0018254700000000, -0.0007414100000000 ] - [ 0.0007873200000000, 0.0002327400000000, 0.0013521400000000 ] - [ -0.0001430800000000, -0.0001795100000000, 0.0002613100000000 ] - [ 0.0002567200000000, -0.0004525700000000, -0.0004493000000000 ] - [ 0.0004447500000000, 0.0003704500000000, 0.0001709100000000 ] - [ 0.0030929300000000, -0.0027261800000000, -0.0015067800000000 ] - [ 0.0000533500000000, 0.0001481600000000, 0.0001557600000000 ] - [ -0.0004142700000000, -0.0001516200000000, -0.0004698700000000 ] - [ 0.0001449500000000, -0.0002356400000000, 0.0005666800000000 ] - [ 0.0016639400000000, 0.0006283800000000, 0.0004652900000000 ] - [ 0.0000643500000000, -0.0000771800000000, 0.0000074600000000 ] - [ 0.0001638300000000, -0.0001921100000000, -0.0000444800000000 ] - [ -0.0001909900000000, 0.0002938900000000, 0.0001561400000000 ] - [ -0.0001080900000000, -0.0003529300000000, -0.0010284300000000 ] - [ 0.0003626000000000, 0.0000367700000000, -0.0000341300000000 ] - [ -0.0001124100000000, -0.0002104600000000, -0.0001029900000000 ] - [ -0.0013360400000000, -0.0002183400000000, 0.0000025300000000 ] - [ 0.0010638000000000, 0.0010263500000000, -0.0008021300000000 ] - [ 0.0002497800000000, 0.0001308200000000, -0.0001010800000000 ] - [ -0.0003151800000000, -0.0002174500000000, -0.0004510000000000 ] - [ -0.0000101400000000, -0.0001235400000000, -0.0001509200000000 ] - [ -0.0005213700000000, 0.0001434000000000, 0.0000201900000000 ] - [ 0.0002904400000000, 0.0000684500000000, -0.0002053200000000 ] - [ -0.0007234400000000, -0.0003231700000000, -0.0002359200000000 ] - [ -0.0002394600000000, -0.0001388800000000, 0.0001649100000000 ] - [ -0.0001209200000000, 0.0000792500000000, -0.0000230800000000 ] - [ -0.0001760200000000, 0.0000931200000000, 0.0000641100000000 ] - [ -0.0000869400000000, 0.0005714000000000, -0.0012181400000000 ] - [ -0.0006947100000000, -0.0000367900000000, 0.0002863000000000 ] - [ -0.0000914200000000, -0.0000410700000000, -0.0000862800000000 ] - [ -0.0000833200000000, 0.0001664200000000, -0.0003043200000000 ] - [ 0.0001944000000000, 0.0000490500000000, 0.0000125200000000 ] - [ -0.0001111600000000, -0.0001652100000000, -0.0000950900000000 ] - [ -0.0002665300000000, 0.0001138800000000, -0.0002680800000000 ] - [ -0.0004114000000000, -0.0002488100000000, -0.0002479400000000 ] - [ -0.0007529900000000, -0.0002836200000000, 0.0003159900000000 ] - [ -0.0007624300000000, -0.0001792100000000, -0.0002879100000000 ] - [ -0.0000058800000000, -0.0000722800000000, 0.0001769300000000 ] - [ 0.0009424100000000, -0.0008180900000000, 0.0005191500000000 ] - [ -0.0001046200000000, 0.0002507800000000, 0.0000837900000000 ] - [ -0.0002993000000000, -0.0001265300000000, 0.0002688600000000 ] - [ 0.0038212300000000, 0.0001105600000000, -0.0013932900000000 ] - [ -0.0001838900000000, -0.0000063900000000, 0.0000730200000000 ] - [ -0.0006396500000000, -0.0004411300000000, 0.0008828000000000 ] - [ 0.0001057600000000, 0.0007707700000000, 0.0002403300000000 ] - [ -0.0000270800000000, 0.0001170200000000, 0.0000726800000000 ] - [ 0.0002241800000000, 0.0000674500000000, 0.0002154200000000 ] - [ 0.0002811000000000, 0.0000698200000000, 0.0001257900000000 ]- atom: 9 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0003009200000000, 0.0000419000000000, -0.0003707800000000 ] - [ 0.0003855700000000, -0.0001415100000000, 0.0005915500000000 ] - [ 0.0000596400000000, 0.0000693200000000, 0.0001221500000000 ] - [ -0.0002076200000000, 0.0001862600000000, 0.0001233000000000 ] - [ -0.0004269400000000, 0.0000757300000000, 0.0002739600000000 ] - [ 0.0000819400000000, -0.0000411600000000, -0.0003559400000000 ] - [ -0.0020263000000000, 0.0003884400000000, -0.0007386200000000 ] - [ -0.0002914000000000, -0.0001069400000000, 0.0001377500000000 ] - [ 0.0173297800000000, -0.0045836000000000, -0.0053619600000000 ] - [ -0.0008379400000000, 0.0005378000000000, -0.0002798700000000 ] - [ 0.0000928600000000, 0.0001144300000000, 0.0003788200000000 ] - [ 0.0000863300000000, 0.0002173600000000, -0.0000950200000000 ] - [ 0.0005060600000000, 0.0001328900000000, 0.0004508600000000 ] - [ -0.0001562800000000, -0.0002324100000000, 0.0000914100000000 ] - [ -0.0003811800000000, 0.0000237400000000, 0.0000323600000000 ] - [ -0.0011795100000000, -0.0007259800000000, -0.0005055100000000 ] - [ 0.0000443500000000, -0.0001233400000000, 0.0001067900000000 ] - [ 0.0008256100000000, 0.0003589300000000, -0.0000004600000000 ] - [ 0.0004854100000000, 0.0000318000000000, 0.0002301800000000 ] - [ 0.0000640200000000, 0.0000124600000000, -0.0000980500000000 ] - [ -0.0015492800000000, -0.0005027700000000, -0.0008132100000000 ] - [ 0.0003542400000000, 0.0001750700000000, -0.0000041900000000 ] - [ -0.0006437300000000, -0.0002735100000000, -0.0006442300000000 ] - [ -0.0025605700000000, -0.0012207200000000, 0.0007260300000000 ] - [ -0.0000105700000000, 0.0002526400000000, -0.0003862300000000 ] - [ 0.0003345300000000, -0.0002275200000000, -0.0000747800000000 ] - [ 0.0005758300000000, 0.0057064400000000, 0.0016442000000000 ] - [ 0.0002064000000000, -0.0001793800000000, 0.0000723400000000 ] - [ 0.0002579300000000, -0.0002425000000000, 0.0006767400000000 ] - [ -0.0042902600000000, -0.0010638000000000, 0.0021595600000000 ] - [ -0.0002334600000000, -0.0002071000000000, 0.0002631700000000 ] - [ -0.0003341600000000, 0.0003855400000000, -0.0000311400000000 ] - [ -0.0000917000000000, -0.0003788500000000, -0.0018248600000000 ] - [ 0.0016429500000000, 0.0014833200000000, 0.0001226500000000 ] - [ -0.0006865900000000, -0.0005527400000000, -0.0006185400000000 ] - [ -0.0011754200000000, 0.0000052100000000, 0.0003039200000000 ] - [ -0.0013182600000000, -0.0017330400000000, 0.0007821900000000 ] - [ -0.0010449600000000, -0.0005571700000000, -0.0012441000000000 ] - [ 0.0002552500000000, -0.0001545900000000, 0.0001903200000000 ] - [ -0.0002578100000000, 0.0002938500000000, 0.0004635600000000 ] - [ -0.0003074500000000, -0.0000825900000000, 0.0002304100000000 ] - [ -0.0029582300000000, 0.0031403400000000, 0.0015007100000000 ] - [ 0.0001502000000000, 0.0000586500000000, 0.0000127100000000 ] - [ 0.0005701500000000, 0.0001824600000000, 0.0003173900000000 ] - [ -0.0000048200000000, -0.0000531400000000, -0.0001612100000000 ] - [ -0.0016749200000000, -0.0007532800000000, -0.0006113500000000 ] - [ -0.0000615600000000, -0.0000846800000000, -0.0000231600000000 ] - [ 0.0000961600000000, -0.0001455400000000, -0.0000450200000000 ] - [ -0.0000688800000000, 0.0000440000000000, -0.0000671300000000 ] - [ -0.0002769900000000, 0.0007220700000000, 0.0011892300000000 ] - [ 0.0002061500000000, -0.0000584700000000, 0.0000472700000000 ] - [ 0.0002303600000000, -0.0002334800000000, -0.0000970600000000 ] - [ 0.0011364500000000, 0.0004223600000000, -0.0001720600000000 ] - [ -0.0010629900000000, -0.0011697400000000, 0.0009649800000000 ] - [ 0.0001575900000000, 0.0002145800000000, -0.0000598000000000 ] - [ 0.0005227300000000, 0.0000126400000000, 0.0006190200000000 ] - [ -0.0001310500000000, -0.0001674400000000, -0.0002557600000000 ] - [ 0.0006406400000000, 0.0003025900000000, -0.0002210700000000 ] - [ -0.0006374400000000, -0.0002145200000000, -0.0000505500000000 ] - [ 0.0005955000000000, 0.0001153800000000, -0.0002361500000000 ] - [ -0.0001675800000000, -0.0002055900000000, -0.0000059600000000 ] - [ -0.0000358200000000, -0.0000490400000000, 0.0001740600000000 ] - [ 0.0002890300000000, 0.0002412100000000, 0.0003837000000000 ] - [ -0.0004894200000000, -0.0005536800000000, 0.0012051400000000 ] - [ 0.0008236600000000, 0.0002447900000000, 0.0001883200000000 ] - [ 0.0002461900000000, 0.0000113400000000, -0.0000661400000000 ] - [ -0.0000292500000000, 0.0001682000000000, -0.0001439700000000 ] - [ -0.0002129400000000, 0.0000816500000000, -0.0001642300000000 ] - [ -0.0000917400000000, -0.0000413800000000, -0.0000727400000000 ] - [ 0.0001380500000000, 0.0000939000000000, -0.0002042700000000 ] - [ 0.0002997800000000, -0.0000852100000000, -0.0001985300000000 ] - [ 0.0006358700000000, -0.0001608900000000, -0.0001153700000000 ] - [ 0.0006090500000000, 0.0001504200000000, 0.0004420600000000 ] - [ 0.0001350900000000, -0.0001346800000000, 0.0002945300000000 ] - [ -0.0010665700000000, 0.0010693900000000, -0.0009074600000000 ] - [ -0.0000124400000000, 0.0001925100000000, 0.0001153000000000 ] - [ -0.0002704400000000, 0.0001057000000000, -0.0002808000000000 ] - [ -0.0033447700000000, -0.0003107300000000, 0.0015689100000000 ] - [ -0.0001587100000000, 0.0001545100000000, -0.0003299200000000 ] - [ 0.0010512100000000, 0.0000940200000000, -0.0010443500000000 ] - [ 0.0004652100000000, -0.0007473800000000, -0.0002240800000000 ] - [ 0.0000246900000000, 0.0000443900000000, -0.0000567900000000 ] - [ -0.0002069100000000, 0.0000645000000000, -0.0000645000000000 ] - [ 0.0000614200000000, 0.0000753900000000, 0.0001292900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003303100000000, 0.0001676600000000, -0.0001226700000000 ] - [ 0.0000819600000000, -0.0006211100000000, 0.0003600600000000 ] - [ 0.0000148100000000, 0.0000944400000000, 0.0000219400000000 ] - [ -0.0000252800000000, 0.0001398700000000, 0.0000595400000000 ] - [ -0.0003073200000000, 0.0000493300000000, 0.0001117500000000 ] - [ 0.0002344300000000, -0.0002177800000000, -0.0000709900000000 ] - [ -0.0002423000000000, -0.0002875200000000, -0.0001248200000000 ] - [ -0.0001877000000000, -0.0000676100000000, 0.0000747400000000 ] - [ 0.0046136300000000, -0.0193468700000000, 0.0012203400000000 ] - [ -0.0006428500000000, 0.0001827300000000, 0.0000564500000000 ] - [ 0.0001035700000000, 0.0004078300000000, 0.0003333500000000 ] - [ 0.0000600800000000, 0.0002813600000000, -0.0001307200000000 ] - [ -0.0001435300000000, 0.0001009500000000, 0.0005083600000000 ] - [ -0.0001430900000000, -0.0002231700000000, 0.0000886300000000 ] - [ 0.0000563100000000, -0.0001710100000000, -0.0000439900000000 ] - [ 0.0002754900000000, -0.0000503600000000, 0.0004773800000000 ] - [ 0.0004014600000000, 0.0000253500000000, -0.0001535800000000 ] - [ -0.0000244200000000, 0.0026024500000000, -0.0000733300000000 ] - [ 0.0000208200000000, 0.0000398900000000, -0.0004738000000000 ] - [ 0.0000244200000000, -0.0000085200000000, -0.0001851100000000 ] - [ -0.0002128300000000, 0.0025324500000000, -0.0007811800000000 ] - [ 0.0003809600000000, 0.0001103100000000, 0.0000437800000000 ] - [ -0.0007943400000000, -0.0005851200000000, -0.0002270900000000 ] - [ 0.0000014200000000, 0.0003116400000000, -0.0003752500000000 ] - [ 0.0000393600000000, 0.0002177300000000, -0.0001999000000000 ] - [ 0.0000272500000000, -0.0002860500000000, -0.0001638200000000 ] - [ -0.0051848500000000, 0.0037367900000000, 0.0020290400000000 ] - [ 0.0002751600000000, -0.0000961100000000, 0.0000428600000000 ] - [ -0.0000395000000000, -0.0001829600000000, 0.0000525100000000 ] - [ -0.0004060000000000, -0.0049394500000000, 0.0001671300000000 ] - [ -0.0003655100000000, -0.0002086000000000, 0.0004285800000000 ] - [ -0.0004325600000000, 0.0003531000000000, 0.0001741000000000 ] - [ 0.0007020600000000, 0.0010852500000000, 0.0023459500000000 ] - [ -0.0024136800000000, 0.0005035200000000, -0.0014028300000000 ] - [ -0.0001168400000000, -0.0002963800000000, -0.0004869300000000 ] - [ -0.0002767500000000, 0.0004542000000000, 0.0004287000000000 ] - [ 0.0014617000000000, 0.0030470800000000, -0.0009369800000000 ] - [ 0.0000155500000000, 0.0002188200000000, 0.0004305200000000 ] - [ 0.0001633500000000, -0.0001037100000000, 0.0000791500000000 ] - [ -0.0000445400000000, -0.0007029600000000, -0.0003457300000000 ] - [ 0.0004960000000000, 0.0003187600000000, 0.0008587600000000 ] - [ -0.0020692500000000, 0.0039051700000000, 0.0011129700000000 ] - [ 0.0001145400000000, 0.0000393300000000, 0.0000439900000000 ] - [ 0.0003233500000000, -0.0000374700000000, -0.0001823800000000 ] - [ 0.0001041800000000, -0.0002718000000000, 0.0002859500000000 ] - [ 0.0006926000000000, 0.0016577600000000, 0.0012863900000000 ] - [ -0.0000017500000000, -0.0000096000000000, -0.0000288900000000 ] - [ 0.0001146000000000, -0.0001613800000000, -0.0000527700000000 ] - [ -0.0000673800000000, 0.0000354900000000, -0.0000496900000000 ] - [ -0.0005550100000000, -0.0002871200000000, -0.0008873000000000 ] - [ 0.0003053000000000, 0.0000061700000000, -0.0000376300000000 ] - [ 0.0002187200000000, -0.0001286100000000, -0.0001646900000000 ] - [ -0.0002842300000000, 0.0009352500000000, -0.0001700100000000 ] - [ 0.0016198800000000, 0.0037372700000000, -0.0040147900000000 ] - [ 0.0002098300000000, 0.0002266400000000, -0.0001977700000000 ] - [ -0.0002217400000000, -0.0004647500000000, -0.0003092300000000 ] - [ -0.0000624100000000, -0.0001289600000000, -0.0002161400000000 ] - [ 0.0001111800000000, 0.0002849500000000, -0.0000728800000000 ] - [ 0.0003728200000000, -0.0005973900000000, 0.0001357900000000 ] - [ -0.0000308700000000, -0.0002128400000000, -0.0001720000000000 ] - [ -0.0001866600000000, -0.0002359500000000, 0.0000537000000000 ] - [ 0.0000508800000000, 0.0000025000000000, 0.0000459500000000 ] - [ 0.0001297600000000, 0.0001814900000000, 0.0004643500000000 ] - [ 0.0001686200000000, 0.0005161000000000, 0.0003801500000000 ] - [ 0.0002040800000000, 0.0000306100000000, 0.0002402400000000 ] - [ 0.0001448500000000, 0.0000302900000000, -0.0001384300000000 ] - [ -0.0000064700000000, 0.0001540800000000, -0.0001559100000000 ] - [ 0.0000073400000000, 0.0001094000000000, -0.0000876800000000 ] - [ -0.0001180700000000, -0.0000433700000000, -0.0001195000000000 ] - [ 0.0000624300000000, 0.0001488100000000, -0.0002907100000000 ] - [ 0.0000094500000000, -0.0002709600000000, -0.0002429200000000 ] - [ 0.0001641300000000, -0.0005370500000000, 0.0001610300000000 ] - [ -0.0001193300000000, -0.0001921000000000, 0.0000056500000000 ] - [ 0.0001467200000000, -0.0000910100000000, 0.0002327600000000 ] - [ -0.0007925000000000, 0.0020280300000000, -0.0015267000000000 ] - [ 0.0000029700000000, 0.0002070100000000, 0.0000849200000000 ] - [ -0.0002725800000000, 0.0000068900000000, 0.0000582100000000 ] - [ 0.0002977100000000, 0.0008439600000000, 0.0002094000000000 ] - [ -0.0001745200000000, 0.0000244300000000, -0.0000932700000000 ] - [ 0.0001749500000000, 0.0007004000000000, 0.0001147400000000 ] - [ 0.0012235000000000, -0.0008431900000000, -0.0000449300000000 ] - [ -0.0000224200000000, -0.0000110900000000, -0.0000059100000000 ] - [ 0.0000481900000000, 0.0000086800000000, 0.0001146300000000 ] - [ 0.0001864400000000, 0.0001176900000000, 0.0001363900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002913400000000, -0.0000054000000000, -0.0001970000000000 ] - [ -0.0000797500000000, 0.0004605200000000, -0.0004456500000000 ] - [ -0.0000184500000000, 0.0000680100000000, 0.0000665400000000 ] - [ 0.0003955900000000, 0.0000785400000000, -0.0002902700000000 ] - [ -0.0003139200000000, 0.0001133400000000, 0.0002076200000000 ] - [ 0.0001351600000000, 0.0000006400000000, -0.0001594300000000 ] - [ -0.0000077400000000, 0.0007151600000000, 0.0002799100000000 ] - [ -0.0001825400000000, -0.0001502200000000, 0.0001552200000000 ] - [ -0.0046561500000000, 0.0194915600000000, -0.0014658500000000 ] - [ 0.0002712600000000, 0.0000335100000000, 0.0001736000000000 ] - [ -0.0001297500000000, -0.0004120000000000, 0.0000277100000000 ] - [ 0.0001855300000000, 0.0001449100000000, -0.0000261400000000 ] - [ 0.0001171400000000, -0.0000994300000000, -0.0001457900000000 ] - [ -0.0001028400000000, -0.0002029600000000, 0.0000679400000000 ] - [ 0.0001897800000000, -0.0002559900000000, -0.0001129700000000 ] - [ -0.0008987200000000, -0.0001103400000000, -0.0001581800000000 ] - [ 0.0002203600000000, -0.0001889500000000, -0.0001673000000000 ] - [ 0.0000198200000000, -0.0027471500000000, 0.0001587100000000 ] - [ -0.0000176500000000, 0.0001241300000000, 0.0003854800000000 ] - [ 0.0000021100000000, 0.0000111600000000, -0.0001769100000000 ] - [ 0.0011403200000000, -0.0027347800000000, 0.0007236600000000 ] - [ 0.0005402500000000, 0.0000850200000000, -0.0001035300000000 ] - [ -0.0001268600000000, 0.0003907500000000, 0.0002901100000000 ] - [ -0.0009186500000000, -0.0001141300000000, 0.0004326000000000 ] - [ 0.0003460700000000, 0.0002730000000000, -0.0006100900000000 ] - [ 0.0000618700000000, -0.0001711500000000, -0.0002045400000000 ] - [ 0.0053478700000000, -0.0033192700000000, -0.0024423600000000 ] - [ 0.0003786700000000, -0.0005734800000000, -0.0000654400000000 ] - [ -0.0000488600000000, -0.0002781600000000, 0.0003139000000000 ] - [ -0.0002353700000000, 0.0042833500000000, -0.0001549700000000 ] - [ -0.0000188500000000, -0.0002824700000000, 0.0003807000000000 ] - [ -0.0002213000000000, 0.0003151900000000, -0.0001534400000000 ] - [ -0.0000520400000000, -0.0004373700000000, -0.0023505800000000 ] - [ 0.0023349800000000, -0.0000437500000000, 0.0017681400000000 ] - [ 0.0005037900000000, -0.0001945900000000, -0.0003222700000000 ] - [ -0.0001066700000000, 0.0000382500000000, 0.0003781000000000 ] - [ -0.0015241000000000, -0.0029215800000000, 0.0009606500000000 ] - [ -0.0002706600000000, -0.0005476900000000, -0.0003435900000000 ] - [ -0.0000518600000000, -0.0002306300000000, 0.0003713200000000 ] - [ 0.0000402900000000, 0.0005474000000000, 0.0003587300000000 ] - [ -0.0003568200000000, -0.0000299500000000, -0.0004572300000000 ] - [ 0.0022640400000000, -0.0035533700000000, -0.0011650500000000 ] - [ 0.0000890200000000, 0.0001677000000000, 0.0001249400000000 ] - [ -0.0001703100000000, 0.0000671400000000, 0.0000299300000000 ] - [ 0.0000358400000000, -0.0000170100000000, 0.0001207800000000 ] - [ -0.0007050000000000, -0.0018885300000000, -0.0015091100000000 ] - [ 0.0000043800000000, -0.0001519900000000, 0.0000137200000000 ] - [ 0.0001455200000000, -0.0001764700000000, -0.0000364500000000 ] - [ -0.0001933200000000, 0.0003037100000000, 0.0001396100000000 ] - [ 0.0001719500000000, 0.0006642300000000, 0.0010468800000000 ] - [ 0.0002638500000000, -0.0000271700000000, 0.0000514600000000 ] - [ -0.0001015200000000, -0.0003148100000000, -0.0000355300000000 ] - [ 0.0000832300000000, -0.0007323800000000, 0.0000036800000000 ] - [ -0.0015885800000000, -0.0037963200000000, 0.0040379400000000 ] - [ 0.0001977200000000, 0.0001184600000000, 0.0000379600000000 ] - [ 0.0004284900000000, 0.0002630800000000, 0.0004743700000000 ] - [ -0.0000784700000000, -0.0001615400000000, -0.0001892400000000 ] - [ 0.0000058300000000, 0.0001589000000000, -0.0001263200000000 ] - [ -0.0007165500000000, 0.0004535600000000, -0.0003878400000000 ] - [ -0.0000991900000000, 0.0000055700000000, -0.0002994200000000 ] - [ -0.0002205200000000, -0.0001087000000000, 0.0001057100000000 ] - [ -0.0002075100000000, 0.0000277400000000, 0.0001049600000000 ] - [ -0.0000180800000000, 0.0001524500000000, -0.0000171900000000 ] - [ -0.0007390400000000, -0.0004940000000000, -0.0003982200000000 ] - [ -0.0000762900000000, 0.0001752700000000, 0.0002333800000000 ] - [ 0.0000101300000000, -0.0000599800000000, -0.0000141700000000 ] - [ -0.0001060000000000, 0.0001806500000000, -0.0002920700000000 ] - [ -0.0000256700000000, 0.0000209900000000, -0.0000636200000000 ] - [ -0.0000844000000000, -0.0001635300000000, -0.0000478100000000 ] - [ -0.0001917800000000, 0.0000584300000000, -0.0001815900000000 ] - [ -0.0001225900000000, -0.0000635500000000, -0.0002042300000000 ] - [ -0.0002830400000000, 0.0000930400000000, 0.0000396400000000 ] - [ -0.0000364800000000, 0.0001624500000000, 0.0001468600000000 ] - [ -0.0000171800000000, -0.0001152000000000, 0.0002383200000000 ] - [ 0.0007257400000000, -0.0018438800000000, 0.0011755700000000 ] - [ -0.0001196500000000, 0.0002360900000000, 0.0001142700000000 ] - [ -0.0002974000000000, -0.0000274500000000, -0.0000694300000000 ] - [ 0.0000406800000000, -0.0009997700000000, 0.0000464400000000 ] - [ -0.0001685400000000, 0.0001227200000000, -0.0001623300000000 ] - [ 0.0002331500000000, -0.0010484600000000, -0.0002753700000000 ] - [ -0.0006614700000000, 0.0008665600000000, 0.0000634800000000 ] - [ 0.0000198200000000, 0.0001720900000000, 0.0000220100000000 ] - [ -0.0000298100000000, 0.0001234100000000, 0.0000372200000000 ] - [ 0.0001563900000000, 0.0000268300000000, 0.0001187800000000 ]- atom: 9 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0003665400000000, 0.0000766000000000, 0.0001319200000000 ] - [ -0.0003654400000000, 0.0002903800000000, 0.0017279300000000 ] - [ -0.0000250200000000, 0.0000752000000000, 0.0003705400000000 ] - [ -0.0000496700000000, 0.0002764700000000, -0.0000957800000000 ] - [ -0.0003669800000000, 0.0001258100000000, 0.0005440800000000 ] - [ 0.0003258200000000, -0.0001319800000000, 0.0002743800000000 ] - [ 0.0000241900000000, 0.0000558500000000, -0.0005614000000000 ] - [ -0.0002394500000000, -0.0001387000000000, 0.0004253200000000 ] - [ 0.0084629700000000, 0.0003019700000000, -0.0183113500000000 ] - [ -0.0000004200000000, 0.0001345000000000, -0.0005970300000000 ] - [ -0.0001828800000000, -0.0001271400000000, 0.0005080000000000 ] - [ 0.0002849100000000, 0.0001665800000000, 0.0000861400000000 ] - [ -0.0001685800000000, 0.0003500600000000, 0.0008734200000000 ] - [ -0.0000728000000000, -0.0002284200000000, 0.0002457000000000 ] - [ -0.0000863900000000, -0.0000540100000000, 0.0000219100000000 ] - [ 0.0000907200000000, 0.0000685600000000, -0.0005190200000000 ] - [ 0.0000201500000000, -0.0002298400000000, -0.0002852200000000 ] - [ 0.0001276800000000, 0.0000085200000000, -0.0010934100000000 ] - [ -0.0000363400000000, -0.0003111000000000, 0.0009010500000000 ] - [ -0.0000557600000000, 0.0000075300000000, 0.0001210200000000 ] - [ 0.0003679900000000, 0.0004508400000000, -0.0012332300000000 ] - [ 0.0006401300000000, 0.0002008200000000, 0.0006066000000000 ] - [ 0.0002857900000000, 0.0003216300000000, 0.0013410200000000 ] - [ -0.0016715400000000, -0.0008617300000000, 0.0005222100000000 ] - [ 0.0005505300000000, 0.0002092800000000, -0.0006983400000000 ] - [ 0.0003086900000000, -0.0000198800000000, 0.0003930100000000 ] - [ -0.0023831400000000, 0.0046617600000000, -0.0033831400000000 ] - [ 0.0000890100000000, -0.0002579700000000, 0.0002800400000000 ] - [ 0.0001005500000000, -0.0003367100000000, 0.0006398300000000 ] - [ -0.0034334100000000, -0.0006460800000000, 0.0013938700000000 ] - [ 0.0000573700000000, -0.0003510900000000, 0.0010724000000000 ] - [ -0.0003206000000000, 0.0004390300000000, 0.0004809700000000 ] - [ 0.0024451500000000, 0.0038130100000000, -0.0018611500000000 ] - [ 0.0022650200000000, -0.0007236900000000, 0.0022501500000000 ] - [ -0.0000503400000000, -0.0003404500000000, 0.0001909100000000 ] - [ -0.0005146600000000, 0.0002582600000000, -0.0005643300000000 ] - [ -0.0009370200000000, -0.0013683800000000, 0.0008546800000000 ] - [ 0.0003401600000000, -0.0009676100000000, 0.0046787900000000 ] - [ -0.0000341200000000, -0.0001224100000000, 0.0004021600000000 ] - [ -0.0003389300000000, -0.0008588400000000, 0.0003675000000000 ] - [ -0.0002553800000000, 0.0000625900000000, -0.0006503100000000 ] - [ -0.0019502500000000, 0.0021824100000000, 0.0014376000000000 ] - [ 0.0001623300000000, 0.0000617100000000, -0.0000259000000000 ] - [ 0.0001390800000000, 0.0000555800000000, -0.0001881200000000 ] - [ 0.0000810300000000, -0.0000877700000000, -0.0001473600000000 ] - [ 0.0006093300000000, 0.0005438900000000, 0.0019974700000000 ] - [ 0.0000213000000000, -0.0001249700000000, -0.0002732000000000 ] - [ 0.0002067000000000, -0.0003087700000000, -0.0003111400000000 ] - [ 0.0000261700000000, 0.0000239900000000, -0.0001177000000000 ] - [ -0.0007881200000000, -0.0003217200000000, 0.0012415400000000 ] - [ 0.0001808500000000, -0.0000889300000000, -0.0004077200000000 ] - [ -0.0002075700000000, -0.0003216400000000, -0.0000391600000000 ] - [ 0.0009906100000000, 0.0002595400000000, 0.0000507900000000 ] - [ -0.0019762400000000, -0.0046593900000000, 0.0048065800000000 ] - [ 0.0001696800000000, 0.0001556100000000, -0.0005155200000000 ] - [ -0.0004961500000000, -0.0008617800000000, 0.0004927900000000 ] - [ -0.0001283600000000, -0.0002481300000000, -0.0006382200000000 ] - [ 0.0002515400000000, 0.0002470500000000, -0.0002989700000000 ] - [ -0.0011662300000000, 0.0006720500000000, -0.0001144600000000 ] - [ 0.0001104200000000, -0.0000994000000000, -0.0003347700000000 ] - [ -0.0001335500000000, -0.0001647000000000, -0.0002185100000000 ] - [ -0.0003137300000000, 0.0001650500000000, -0.0002280800000000 ] - [ 0.0001545400000000, 0.0002305000000000, -0.0000808200000000 ] - [ -0.0011549000000000, 0.0001292300000000, -0.0011242200000000 ] - [ 0.0003046900000000, 0.0002301000000000, 0.0005318500000000 ] - [ 0.0000283100000000, 0.0000355200000000, -0.0000858800000000 ] - [ -0.0000997700000000, 0.0001577700000000, -0.0008005200000000 ] - [ -0.0002120500000000, 0.0000535800000000, -0.0004861300000000 ] - [ -0.0002799300000000, -0.0002196300000000, -0.0004010100000000 ] - [ -0.0003762100000000, 0.0001582300000000, -0.0003185700000000 ] - [ -0.0000524200000000, -0.0002028900000000, 0.0004090200000000 ] - [ 0.0000800400000000, -0.0003003700000000, 0.0004323800000000 ] - [ 0.0001957600000000, 0.0001272000000000, 0.0005614300000000 ] - [ -0.0000763400000000, -0.0000163500000000, -0.0000003200000000 ] - [ 0.0004576300000000, -0.0011427900000000, 0.0018149400000000 ] - [ -0.0001140100000000, 0.0002489200000000, -0.0000918600000000 ] - [ -0.0002767800000000, 0.0000571700000000, -0.0003426100000000 ] - [ -0.0017304100000000, -0.0004976300000000, 0.0022437000000000 ] - [ -0.0000694000000000, 0.0001944700000000, -0.0004309900000000 ] - [ 0.0007622900000000, -0.0000218700000000, -0.0005550100000000 ] - [ 0.0008416300000000, -0.0007754200000000, 0.0012702300000000 ] - [ 0.0001785800000000, 0.0001311700000000, -0.0001552400000000 ] - [ -0.0000827700000000, 0.0001033000000000, -0.0002158400000000 ] - [ 0.0001681700000000, -0.0000390900000000, -0.0001942900000000 ]- atom: 9 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0002528600000000, 0.0000875800000000, -0.0004515700000000 ] - [ 0.0003717300000000, -0.0004581500000000, -0.0018365700000000 ] - [ 0.0000221200000000, 0.0000876500000000, -0.0002825200000000 ] - [ 0.0004194700000000, -0.0000592500000000, -0.0001338100000000 ] - [ -0.0002522800000000, 0.0000381900000000, -0.0002262100000000 ] - [ 0.0000445000000000, -0.0000850600000000, -0.0005043600000000 ] - [ -0.0002731600000000, 0.0003706100000000, 0.0007147800000000 ] - [ -0.0001308600000000, -0.0000786900000000, -0.0001960200000000 ] - [ -0.0084759800000000, -0.0004264800000000, 0.0179819100000000 ] - [ -0.0003686700000000, 0.0000820700000000, 0.0008283000000000 ] - [ 0.0001569300000000, 0.0001243800000000, -0.0001455800000000 ] - [ -0.0000399700000000, 0.0002596000000000, -0.0002424600000000 ] - [ 0.0001409400000000, -0.0003438000000000, -0.0005071800000000 ] - [ -0.0001724500000000, -0.0001978700000000, -0.0000895000000000 ] - [ 0.0003309900000000, -0.0003728400000000, -0.0001786500000000 ] - [ -0.0007069100000000, -0.0002315200000000, 0.0008401900000000 ] - [ 0.0005996500000000, 0.0000662300000000, -0.0000330600000000 ] - [ -0.0001291500000000, -0.0001741500000000, 0.0011818600000000 ] - [ 0.0000376300000000, 0.0004692600000000, -0.0009821000000000 ] - [ 0.0000824500000000, -0.0000052300000000, -0.0004830100000000 ] - [ 0.0005517300000000, -0.0006479400000000, 0.0011685500000000 ] - [ 0.0002824000000000, -0.0000035800000000, -0.0006668800000000 ] - [ -0.0012104300000000, -0.0005189300000000, -0.0012828900000000 ] - [ 0.0007494700000000, 0.0010606800000000, -0.0004652400000000 ] - [ -0.0001667800000000, 0.0002802100000000, -0.0001091600000000 ] - [ -0.0002193300000000, -0.0004375400000000, -0.0007604900000000 ] - [ 0.0024689900000000, -0.0042134400000000, 0.0030307400000000 ] - [ 0.0005646300000000, -0.0004122000000000, -0.0003020300000000 ] - [ -0.0001894300000000, -0.0001238600000000, -0.0002747200000000 ] - [ 0.0027636400000000, -0.0000163900000000, -0.0013732600000000 ] - [ -0.0004417800000000, -0.0001389500000000, -0.0002647400000000 ] - [ -0.0003331900000000, 0.0002298000000000, -0.0004614100000000 ] - [ -0.0017899900000000, -0.0031399000000000, 0.0018358200000000 ] - [ -0.0023444400000000, 0.0011979500000000, -0.0018892400000000 ] - [ 0.0004329500000000, -0.0001504400000000, -0.0010005600000000 ] - [ 0.0001293700000000, 0.0002324300000000, 0.0013715800000000 ] - [ 0.0008847400000000, 0.0014909700000000, -0.0008456100000000 ] - [ -0.0005335200000000, 0.0006719400000000, -0.0044512800000000 ] - [ 0.0001469800000000, -0.0002113700000000, 0.0000440800000000 ] - [ 0.0003336300000000, 0.0006953200000000, -0.0003488700000000 ] - [ 0.0003949900000000, 0.0002245600000000, 0.0010537100000000 ] - [ 0.0021416300000000, -0.0018103700000000, -0.0014992800000000 ] - [ 0.0000413500000000, 0.0001465800000000, 0.0001946400000000 ] - [ 0.0000182200000000, -0.0000243900000000, 0.0000377200000000 ] - [ 0.0000596200000000, -0.0002018600000000, 0.0005558500000000 ] - [ -0.0006211600000000, -0.0007217400000000, -0.0021767300000000 ] - [ -0.0000168700000000, -0.0000374800000000, 0.0002582400000000 ] - [ 0.0000526500000000, -0.0000282100000000, 0.0002225000000000 ] - [ -0.0002862600000000, 0.0003147400000000, 0.0002067700000000 ] - [ 0.0003814200000000, 0.0006677000000000, -0.0010785400000000 ] - [ 0.0003887100000000, 0.0000674700000000, 0.0004202700000000 ] - [ 0.0003242700000000, -0.0001207800000000, -0.0001614400000000 ] - [ -0.0011919800000000, -0.0000540500000000, -0.0002186600000000 ] - [ 0.0020076100000000, 0.0046928300000000, -0.0048151800000000 ] - [ 0.0002381000000000, 0.0001889700000000, 0.0003572000000000 ] - [ 0.0007025800000000, 0.0006530000000000, -0.0003226100000000 ] - [ -0.0000129600000000, -0.0000429700000000, 0.0002317500000000 ] - [ -0.0001347400000000, 0.0001967700000000, 0.0000998600000000 ] - [ 0.0008242400000000, -0.0008219200000000, -0.0001407700000000 ] - [ -0.0002392300000000, -0.0001077000000000, -0.0001358000000000 ] - [ -0.0002736100000000, -0.0001788800000000, 0.0003768400000000 ] - [ 0.0001563900000000, -0.0001343600000000, 0.0003790500000000 ] - [ -0.0000412600000000, 0.0001034900000000, 0.0005277600000000 ] - [ 0.0005875900000000, -0.0001116300000000, 0.0011121900000000 ] - [ -0.0001750000000000, -0.0000237500000000, -0.0000588500000000 ] - [ 0.0001281100000000, -0.0000659200000000, -0.0000663600000000 ] - [ -0.0000132400000000, 0.0001765900000000, 0.0003562300000000 ] - [ 0.0001933500000000, 0.0000775100000000, 0.0003340400000000 ] - [ 0.0000774600000000, 0.0000117700000000, 0.0002337600000000 ] - [ 0.0002485700000000, 0.0000485800000000, -0.0001529500000000 ] - [ -0.0000601700000000, -0.0001313900000000, -0.0008542300000000 ] - [ -0.0001953100000000, -0.0001431800000000, -0.0002325700000000 ] - [ -0.0003514300000000, -0.0001571700000000, -0.0004088700000000 ] - [ 0.0002059500000000, -0.0001898600000000, 0.0004713100000000 ] - [ -0.0005924000000000, 0.0014268400000000, -0.0022251100000000 ] - [ -0.0000010400000000, 0.0001936000000000, 0.0002912300000000 ] - [ -0.0002932400000000, -0.0000781400000000, 0.0003331600000000 ] - [ 0.0021416300000000, 0.0003289600000000, -0.0020184000000000 ] - [ -0.0002743000000000, -0.0000477500000000, 0.0001754800000000 ] - [ -0.0003539800000000, -0.0003236900000000, 0.0003989500000000 ] - [ -0.0002704400000000, 0.0007961000000000, -0.0012592200000000 ] - [ -0.0001825600000000, 0.0000306100000000, 0.0001716000000000 ] - [ 0.0001016900000000, 0.0000298500000000, 0.0003675600000000 ] - [ 0.0001755700000000, 0.0001833900000000, 0.0004490700000000 ]- atom: 21 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ -0.0008593500000000, -0.0001685200000000, -0.0017526600000000 ] - [ 0.0003080600000000, -0.0003845000000000, 0.0008510600000000 ] - [ 0.0001087000000000, -0.0000034500000000, 0.0002152400000000 ] - [ -0.0017482900000000, 0.0004452700000000, -0.0004910600000000 ] - [ -0.0002879300000000, 0.0002270600000000, 0.0005669400000000 ] - [ -0.0004277500000000, 0.0002228700000000, -0.0007324600000000 ] - [ -0.0037667400000000, 0.0010598000000000, -0.0001481600000000 ] - [ -0.0001716800000000, -0.0002399000000000, 0.0009572300000000 ] - [ 0.0020248900000000, -0.0006726400000000, 0.0001518700000000 ] - [ 0.0013093400000000, -0.0007103000000000, -0.0008079000000000 ] - [ 0.0001730200000000, 0.0003323700000000, 0.0009781600000000 ] - [ 0.0003946900000000, 0.0001672000000000, -0.0002713200000000 ] - [ 0.0020835400000000, 0.0004604600000000, -0.0006185800000000 ] - [ -0.0002540900000000, -0.0002246100000000, 0.0000815400000000 ] - [ 0.0011985900000000, -0.0013446400000000, 0.0013739800000000 ] - [ 0.0011247500000000, 0.0006396200000000, -0.0005978500000000 ] - [ -0.0017027500000000, -0.0002642100000000, -0.0009432300000000 ] - [ 0.0041829700000000, 0.0010378400000000, 0.0022159200000000 ] - [ 0.0011757100000000, 0.0000215300000000, -0.0006898900000000 ] - [ 0.0001211900000000, 0.0000810200000000, 0.0000229900000000 ] - [ -0.0971418200000000, 0.0098636600000000, 0.0143520700000000 ] - [ 0.0000603500000000, 0.0000256000000000, -0.0004831500000000 ] - [ 0.0004272700000000, -0.0000092200000000, 0.0001976800000000 ] - [ 0.0057419900000000, 0.0043033900000000, 0.0050759100000000 ] - [ 0.0000303400000000, 0.0003037000000000, -0.0019146900000000 ] - [ 0.0003827300000000, -0.0000209700000000, -0.0002037600000000 ] - [ -0.0003461500000000, -0.0002360900000000, 0.0149122000000000 ] - [ -0.0005907600000000, 0.0002636900000000, 0.0000533500000000 ] - [ 0.0013851700000000, -0.0009625400000000, 0.0015577700000000 ] - [ 0.0020761300000000, -0.0002571000000000, 0.0005573100000000 ] - [ -0.0000552900000000, -0.0001510000000000, 0.0006506000000000 ] - [ -0.0003611100000000, 0.0004681800000000, 0.0004638100000000 ] - [ -0.0096652200000000, 0.0197504100000000, -0.0076835200000000 ] - [ 0.0019085900000000, -0.0000391500000000, 0.0010428200000000 ] - [ -0.0120082800000000, 0.0097972800000000, 0.0027209000000000 ] - [ 0.0143499600000000, 0.0012227900000000, -0.0094892200000000 ] - [ -0.0017782000000000, -0.0000570000000000, 0.0004143100000000 ] - [ 0.0015653900000000, -0.0029768200000000, 0.0016409700000000 ] - [ 0.0002617000000000, -0.0000196900000000, 0.0014511300000000 ] - [ 0.0120265600000000, -0.0045561000000000, -0.0019778200000000 ] - [ -0.0003930600000000, -0.0000019500000000, -0.0001936100000000 ] - [ -0.0016896500000000, -0.0009093000000000, 0.0001687600000000 ] - [ 0.0006764500000000, 0.0000733000000000, 0.0002646200000000 ] - [ 0.0107449200000000, -0.0073834900000000, -0.0042745300000000 ] - [ -0.0010887000000000, 0.0006167300000000, -0.0008649700000000 ] - [ -0.0012303100000000, -0.0002799400000000, -0.0034376600000000 ] - [ -0.0001060700000000, -0.0001192600000000, -0.0001870700000000 ] - [ 0.0000712600000000, -0.0002440400000000, -0.0002846600000000 ] - [ 0.0002554600000000, -0.0001521900000000, -0.0002398400000000 ] - [ 0.0090094000000000, 0.0037988900000000, 0.0037385800000000 ] - [ 0.0001965100000000, -0.0001890300000000, 0.0003435500000000 ] - [ -0.0001875800000000, -0.0004052900000000, 0.0003724700000000 ] - [ -0.0022356000000000, 0.0001073200000000, -0.0008460600000000 ] - [ -0.0014328000000000, 0.0000666300000000, -0.0008912900000000 ] - [ 0.0000640600000000, 0.0002731400000000, -0.0005194200000000 ] - [ 0.0114111900000000, -0.0011175300000000, 0.0024109700000000 ] - [ -0.0001323600000000, -0.0001720900000000, -0.0000504000000000 ] - [ 0.0029124400000000, -0.0016855000000000, -0.0009839700000000 ] - [ -0.0011822700000000, 0.0002304200000000, -0.0002172800000000 ] - [ 0.0076603700000000, -0.0052208600000000, 0.0001269500000000 ] - [ 0.0000169200000000, -0.0002480500000000, 0.0001371000000000 ] - [ -0.0001423800000000, 0.0000660200000000, 0.0000524500000000 ] - [ 0.0027417600000000, -0.0012912500000000, -0.0004007900000000 ] - [ -0.0010477400000000, -0.0002460400000000, -0.0000666900000000 ] - [ 0.0077037600000000, 0.0066598000000000, -0.0029003300000000 ] - [ 0.0004640200000000, -0.0000182700000000, 0.0002530100000000 ] - [ -0.0000223900000000, 0.0001445900000000, -0.0004463200000000 ] - [ -0.0002392800000000, -0.0000241700000000, 0.0001350600000000 ] - [ -0.0003596100000000, -0.0001153800000000, -0.0003660900000000 ] - [ -0.0002023100000000, 0.0000681900000000, 0.0001400100000000 ] - [ -0.0024184300000000, -0.0007447900000000, 0.0044248300000000 ] - [ 0.0182130400000000, -0.0149764300000000, -0.0086941200000000 ] - [ -0.0040811900000000, -0.0007390100000000, -0.0001430900000000 ] - [ 0.0001031500000000, -0.0001095700000000, 0.0002017900000000 ] - [ 0.0182520400000000, -0.0141872600000000, -0.0027848900000000 ] - [ 0.0000888100000000, 0.0001623700000000, 0.0001163500000000 ] - [ -0.0015564800000000, 0.0003129400000000, -0.0013882400000000 ] - [ 0.0023766400000000, 0.0027826000000000, -0.0038724800000000 ] - [ -0.0008103000000000, 0.0002396400000000, -0.0006352100000000 ] - [ -0.0005362700000000, -0.0006351300000000, -0.0006554000000000 ] - [ 0.0060694800000000, -0.0019559600000000, -0.0008886100000000 ] - [ 0.0003400200000000, 0.0000255000000000, -0.0000358500000000 ] - [ -0.0016709400000000, 0.0002219500000000, -0.0005450800000000 ] - [ 0.0001377600000000, -0.0000735100000000, 0.0002269100000000 ]- atom: 21 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0014804900000000, 0.0003411400000000, 0.0014305700000000 ] - [ -0.0003003500000000, 0.0002236400000000, -0.0009422200000000 ] - [ -0.0001163300000000, 0.0001627800000000, -0.0001238200000000 ] - [ 0.0021087600000000, -0.0002310100000000, 0.0002574100000000 ] - [ -0.0003262000000000, -0.0000589700000000, -0.0002506900000000 ] - [ 0.0008003300000000, -0.0004421000000000, 0.0004940700000000 ] - [ 0.0035130200000000, -0.0006274600000000, 0.0003125600000000 ] - [ -0.0001988900000000, 0.0000241100000000, -0.0007285300000000 ] - [ -0.0019921600000000, 0.0006731000000000, -0.0005151200000000 ] - [ -0.0016747800000000, 0.0009241300000000, 0.0010346700000000 ] - [ -0.0001947100000000, -0.0003335300000000, -0.0006139900000000 ] - [ -0.0001488900000000, 0.0002651100000000, 0.0001153800000000 ] - [ -0.0021130300000000, -0.0004624500000000, 0.0009819300000000 ] - [ 0.0000093000000000, -0.0002083200000000, 0.0000699000000000 ] - [ -0.0009460300000000, 0.0009029800000000, -0.0015144800000000 ] - [ -0.0017353600000000, -0.0008049200000000, 0.0009136600000000 ] - [ 0.0023054600000000, 0.0000982700000000, 0.0006218900000000 ] - [ -0.0042199000000000, -0.0012080900000000, -0.0021529900000000 ] - [ -0.0011646400000000, 0.0001410000000000, 0.0006011500000000 ] - [ -0.0000933900000000, -0.0000784200000000, -0.0003833700000000 ] - [ 0.0976438900000000, -0.0100232800000000, -0.0140634700000000 ] - [ 0.0008557500000000, 0.0001721000000000, 0.0004084300000000 ] - [ -0.0013411700000000, -0.0001880300000000, -0.0001316100000000 ] - [ -0.0066608300000000, -0.0040894600000000, -0.0049638100000000 ] - [ 0.0003468400000000, 0.0001847000000000, 0.0010994400000000 ] - [ -0.0002920500000000, -0.0004294500000000, -0.0001579400000000 ] - [ 0.0005105800000000, 0.0006143600000000, -0.0153647300000000 ] - [ 0.0012379100000000, -0.0009180900000000, -0.0000627500000000 ] - [ -0.0014811700000000, 0.0005161900000000, -0.0011850700000000 ] - [ -0.0027279300000000, -0.0003957200000000, -0.0005394400000000 ] - [ -0.0003197300000000, -0.0003372300000000, 0.0001490300000000 ] - [ -0.0002918500000000, 0.0001888200000000, -0.0004572400000000 ] - [ 0.0105068700000000, -0.0192360800000000, 0.0076458700000000 ] - [ -0.0019869700000000, 0.0004810900000000, -0.0006829600000000 ] - [ 0.0122623800000000, -0.0102414300000000, -0.0035471500000000 ] - [ -0.0146166600000000, -0.0007051700000000, 0.0102087100000000 ] - [ 0.0017926800000000, 0.0002193900000000, -0.0004327500000000 ] - [ -0.0018564900000000, 0.0026501500000000, -0.0015515900000000 ] - [ -0.0001445800000000, -0.0003141200000000, -0.0010077700000000 ] - [ -0.0125869500000000, 0.0042702200000000, 0.0022740200000000 ] - [ 0.0005451100000000, 0.0003092300000000, 0.0006028600000000 ] - [ 0.0019521900000000, 0.0012557300000000, -0.0002564900000000 ] - [ -0.0004725100000000, 0.0001416800000000, -0.0000935400000000 ] - [ -0.0104692900000000, 0.0074365200000000, 0.0041680700000000 ] - [ 0.0012476900000000, -0.0009222300000000, 0.0012592200000000 ] - [ 0.0011691400000000, 0.0001507300000000, 0.0032866700000000 ] - [ 0.0001194700000000, -0.0000496300000000, 0.0001713200000000 ] - [ 0.0001911500000000, -0.0001006700000000, 0.0001979800000000 ] - [ -0.0005160000000000, 0.0004966700000000, 0.0003244900000000 ] - [ -0.0094953800000000, -0.0036320400000000, -0.0036514600000000 ] - [ 0.0003748700000000, 0.0001659800000000, -0.0003455300000000 ] - [ 0.0002727700000000, -0.0000327100000000, -0.0005585000000000 ] - [ 0.0020324700000000, 0.0001070800000000, 0.0006715400000000 ] - [ 0.0014663700000000, -0.0002021300000000, 0.0010527000000000 ] - [ 0.0003508800000000, 0.0000596100000000, 0.0003713100000000 ] - [ -0.0112210500000000, 0.0008589400000000, -0.0022019300000000 ] - [ -0.0000213600000000, -0.0001345800000000, -0.0003578900000000 ] - [ -0.0027977300000000, 0.0021156700000000, 0.0007860600000000 ] - [ 0.0008183100000000, -0.0003498400000000, -0.0000294200000000 ] - [ -0.0074893500000000, 0.0050421500000000, -0.0003771300000000 ] - [ -0.0004300400000000, -0.0000857600000000, 0.0000145600000000 ] - [ -0.0000370000000000, -0.0000211200000000, 0.0000789500000000 ] - [ -0.0026019700000000, 0.0016135600000000, 0.0008568400000000 ] - [ 0.0004724900000000, 0.0002682600000000, 0.0000703000000000 ] - [ -0.0071336000000000, -0.0061212200000000, 0.0031730700000000 ] - [ -0.0002830600000000, -0.0000277800000000, -0.0003791800000000 ] - [ -0.0000962200000000, 0.0001902600000000, 0.0000169100000000 ] - [ 0.0002006900000000, 0.0001613000000000, -0.0002969800000000 ] - [ 0.0001609900000000, -0.0000990400000000, 0.0001991900000000 ] - [ 0.0000591700000000, 0.0001226000000000, -0.0005939600000000 ] - [ 0.0022798200000000, 0.0004092900000000, -0.0048535500000000 ] - [ -0.0177940100000000, 0.0140038400000000, 0.0085127400000000 ] - [ 0.0038878000000000, 0.0006779600000000, 0.0002835400000000 ] - [ 0.0000393800000000, -0.0000814800000000, 0.0002551000000000 ] - [ -0.0188990200000000, 0.0150755600000000, 0.0022771100000000 ] - [ -0.0001745700000000, 0.0002740200000000, 0.0000725100000000 ] - [ 0.0009944700000000, -0.0003351100000000, 0.0013895000000000 ] - [ -0.0020141500000000, -0.0028987900000000, 0.0041456900000000 ] - [ 0.0004515400000000, -0.0001142300000000, 0.0003797200000000 ] - [ 0.0009524200000000, 0.0002984500000000, 0.0004986200000000 ] - [ -0.0055141200000000, 0.0019975700000000, 0.0008557700000000 ] - [ -0.0003514600000000, 0.0001426600000000, 0.0000520800000000 ] - [ 0.0017088800000000, -0.0000858400000000, 0.0007007700000000 ] - [ 0.0002206100000000, 0.0001989100000000, 0.0000251200000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000922100000000, -0.0021605700000000, -0.0014807500000000 ] - [ -0.0001045400000000, 0.0003993100000000, -0.0004329400000000 ] - [ 0.0000459100000000, 0.0000513500000000, -0.0000539600000000 ] - [ 0.0006479800000000, 0.0001117100000000, -0.0007832800000000 ] - [ -0.0000857800000000, 0.0005463400000000, 0.0003552600000000 ] - [ -0.0001130400000000, 0.0024860800000000, -0.0008106900000000 ] - [ -0.0001186400000000, 0.0070251900000000, 0.0001086400000000 ] - [ 0.0000457800000000, -0.0006203800000000, 0.0003639500000000 ] - [ 0.0004195000000000, 0.0026303300000000, 0.0004642800000000 ] - [ -0.0007521200000000, 0.0003299700000000, 0.0004347400000000 ] - [ -0.0001892700000000, -0.0004871600000000, -0.0002854100000000 ] - [ 0.0000657300000000, 0.0001188800000000, -0.0000342400000000 ] - [ 0.0012996100000000, 0.0002164600000000, -0.0005272500000000 ] - [ -0.0001821900000000, -0.0001787500000000, 0.0001263500000000 ] - [ -0.0014335100000000, -0.0002428000000000, -0.0008458700000000 ] - [ -0.0002542100000000, -0.0001236800000000, -0.0000797400000000 ] - [ 0.0004718000000000, -0.0003938900000000, 0.0013530800000000 ] - [ 0.0010923400000000, -0.0024665100000000, 0.0012598600000000 ] - [ -0.0000992400000000, 0.0005210700000000, 0.0000591900000000 ] - [ 0.0000908200000000, 0.0000122200000000, -0.0002676000000000 ] - [ 0.0106701100000000, -0.1202682700000000, -0.0070002800000000 ] - [ 0.0005256300000000, 0.0000400100000000, -0.0004874600000000 ] - [ -0.0005446900000000, 0.0007711500000000, 0.0000525100000000 ] - [ 0.0037367300000000, -0.0005679200000000, 0.0010281700000000 ] - [ 0.0002784300000000, 0.0001597500000000, -0.0003489900000000 ] - [ -0.0000076800000000, 0.0004967800000000, -0.0004327800000000 ] - [ 0.0033238500000000, 0.0008206000000000, -0.0171021500000000 ] - [ 0.0006401100000000, -0.0007861300000000, -0.0002343800000000 ] - [ 0.0008667500000000, -0.0009160300000000, 0.0003332400000000 ] - [ 0.0006809900000000, 0.0008620500000000, -0.0005026400000000 ] - [ 0.0004062500000000, -0.0003477700000000, -0.0009069600000000 ] - [ 0.0002015100000000, 0.0002039000000000, -0.0002685600000000 ] - [ 0.0218236700000000, 0.0164787500000000, -0.0139470400000000 ] - [ 0.0011199500000000, -0.0000293800000000, 0.0003378100000000 ] - [ 0.0159295500000000, -0.0015372500000000, 0.0060427300000000 ] - [ -0.0026838800000000, -0.0236380700000000, -0.0018151400000000 ] - [ -0.0001014100000000, -0.0001713100000000, 0.0000686100000000 ] - [ -0.0039886500000000, -0.0045471900000000, 0.0026523100000000 ] - [ -0.0000178700000000, -0.0003153800000000, 0.0001347600000000 ] - [ -0.0024523000000000, 0.0066350900000000, 0.0014708300000000 ] - [ -0.0001823000000000, 0.0000807100000000, -0.0001364300000000 ] - [ -0.0005992300000000, -0.0007801400000000, 0.0000988000000000 ] - [ -0.0000032300000000, 0.0002926200000000, 0.0001113100000000 ] - [ -0.0103115600000000, 0.0216043300000000, 0.0127280900000000 ] - [ -0.0007583800000000, 0.0005741200000000, 0.0002045800000000 ] - [ 0.0011876700000000, -0.0000359500000000, 0.0039065900000000 ] - [ -0.0000696100000000, -0.0002344900000000, 0.0000410000000000 ] - [ 0.0000683500000000, -0.0001429400000000, -0.0000025700000000 ] - [ -0.0003325100000000, 0.0004577300000000, 0.0003122600000000 ] - [ 0.0026485100000000, 0.0117493400000000, 0.0081646800000000 ] - [ 0.0001870900000000, -0.0002760700000000, 0.0004729100000000 ] - [ 0.0000352000000000, -0.0002689600000000, -0.0001893500000000 ] - [ -0.0004472000000000, -0.0007054500000000, 0.0000388300000000 ] - [ -0.0007352400000000, 0.0000606000000000, -0.0001462900000000 ] - [ 0.0001927300000000, 0.0000181100000000, 0.0000931600000000 ] - [ -0.0043687000000000, 0.0106253200000000, -0.0060970000000000 ] - [ -0.0001216900000000, -0.0003350800000000, -0.0000548000000000 ] - [ -0.0033264500000000, -0.0002826600000000, -0.0002066900000000 ] - [ -0.0003487300000000, 0.0002009300000000, -0.0002584600000000 ] - [ -0.0036072900000000, 0.0059619600000000, -0.0004884100000000 ] - [ -0.0002906400000000, -0.0000383900000000, 0.0002341700000000 ] - [ 0.0000378400000000, -0.0000745300000000, 0.0006449600000000 ] - [ -0.0026984200000000, 0.0002454600000000, -0.0036012300000000 ] - [ -0.0004880800000000, -0.0002091700000000, -0.0000878300000000 ] - [ 0.0036328200000000, 0.0158441600000000, -0.0011345500000000 ] - [ 0.0000406800000000, -0.0001513800000000, 0.0000003200000000 ] - [ -0.0004419800000000, 0.0001191000000000, 0.0006589600000000 ] - [ -0.0000390800000000, -0.0001553600000000, 0.0002285400000000 ] - [ -0.0002706100000000, -0.0002820400000000, -0.0001836700000000 ] - [ -0.0001042000000000, 0.0000411600000000, -0.0001461400000000 ] - [ 0.0008778000000000, 0.0041022800000000, -0.0013907600000000 ] - [ -0.0109096000000000, 0.0217920100000000, 0.0073160800000000 ] - [ 0.0004825000000000, 0.0049468900000000, 0.0015300700000000 ] - [ -0.0000240700000000, -0.0002955800000000, 0.0005027600000000 ] - [ -0.0140596000000000, 0.0178797700000000, 0.0033049600000000 ] - [ -0.0001137500000000, 0.0003313900000000, 0.0003558400000000 ] - [ -0.0008018300000000, 0.0004683000000000, -0.0002197600000000 ] - [ -0.0013452900000000, -0.0017273700000000, 0.0029677300000000 ] - [ -0.0005022200000000, 0.0004145400000000, 0.0000122500000000 ] - [ -0.0005227100000000, -0.0009018400000000, 0.0001581500000000 ] - [ -0.0022002800000000, 0.0079192900000000, 0.0018563100000000 ] - [ -0.0001605100000000, 0.0002181100000000, 0.0000492300000000 ] - [ -0.0006605000000000, 0.0003163400000000, 0.0001363900000000 ] - [ 0.0002925200000000, -0.0004857400000000, 0.0002167800000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007021100000000, 0.0023321300000000, 0.0011621400000000 ] - [ 0.0001152200000000, -0.0005603200000000, 0.0003402600000000 ] - [ -0.0000566500000000, 0.0001091400000000, 0.0001459100000000 ] - [ -0.0002868700000000, 0.0000997500000000, 0.0005560000000000 ] - [ -0.0005249700000000, -0.0003779500000000, -0.0000393000000000 ] - [ 0.0004850500000000, -0.0027082800000000, 0.0005864600000000 ] - [ -0.0001143100000000, -0.0065614100000000, 0.0000372600000000 ] - [ -0.0004124300000000, 0.0004029900000000, -0.0001383900000000 ] - [ -0.0003957800000000, -0.0026379600000000, -0.0008311600000000 ] - [ 0.0003800200000000, -0.0001117400000000, -0.0002023500000000 ] - [ 0.0001677500000000, 0.0004869100000000, 0.0006500400000000 ] - [ 0.0001781200000000, 0.0003141600000000, -0.0001183600000000 ] - [ -0.0013291100000000, -0.0002081000000000, 0.0008883200000000 ] - [ -0.0000621600000000, -0.0002548100000000, 0.0000262300000000 ] - [ 0.0016823300000000, -0.0001860200000000, 0.0006936100000000 ] - [ -0.0003588800000000, -0.0000449600000000, 0.0003979000000000 ] - [ 0.0001395100000000, 0.0002330500000000, -0.0016721700000000 ] - [ -0.0010988300000000, 0.0023131900000000, -0.0011676000000000 ] - [ 0.0001056000000000, -0.0003674300000000, -0.0001489800000000 ] - [ -0.0000636600000000, -0.0000114800000000, -0.0000934800000000 ] - [ -0.0091353700000000, 0.1203916600000000, 0.0064489000000000 ] - [ 0.0003883300000000, 0.0001600900000000, 0.0004214500000000 ] - [ -0.0003718900000000, -0.0009706100000000, 0.0000182300000000 ] - [ -0.0046706200000000, 0.0007454100000000, -0.0009446800000000 ] - [ 0.0000983800000000, 0.0003299300000000, -0.0004595500000000 ] - [ 0.0000942800000000, -0.0009410600000000, 0.0000762300000000 ] - [ -0.0031615000000000, -0.0004757900000000, 0.0166354400000000 ] - [ 0.0000088700000000, 0.0001356900000000, 0.0002281900000000 ] - [ -0.0009612900000000, 0.0004781300000000, 0.0000252200000000 ] - [ -0.0013391500000000, -0.0015156000000000, 0.0005090500000000 ] - [ -0.0007879100000000, -0.0001417800000000, 0.0017229100000000 ] - [ -0.0008511400000000, 0.0004483100000000, 0.0002759700000000 ] - [ -0.0215132200000000, -0.0159338200000000, 0.0141658300000000 ] - [ -0.0012152100000000, 0.0004749900000000, 0.0000194800000000 ] - [ -0.0154534100000000, 0.0009907600000000, -0.0068509000000000 ] - [ 0.0022826300000000, 0.0241053600000000, 0.0026234100000000 ] - [ 0.0001142300000000, 0.0003388400000000, -0.0000831400000000 ] - [ 0.0037757700000000, 0.0041961700000000, -0.0025982400000000 ] - [ 0.0001351500000000, -0.0000196200000000, 0.0003046500000000 ] - [ 0.0023447700000000, -0.0068970500000000, -0.0014009800000000 ] - [ 0.0003338300000000, 0.0002243200000000, 0.0005457300000000 ] - [ 0.0008684500000000, 0.0011281200000000, -0.0001846200000000 ] - [ 0.0002046300000000, -0.0000829800000000, 0.0000558100000000 ] - [ 0.0102820100000000, -0.0210200300000000, -0.0122508600000000 ] - [ 0.0009114800000000, -0.0008794600000000, 0.0002025700000000 ] - [ -0.0012523800000000, -0.0000901400000000, -0.0040593400000000 ] - [ 0.0000783600000000, 0.0000687200000000, -0.0000554200000000 ] - [ 0.0001935600000000, -0.0002017400000000, -0.0000850000000000 ] - [ 0.0000711600000000, -0.0001132600000000, -0.0002283100000000 ] - [ -0.0033877300000000, -0.0120388200000000, -0.0083682300000000 ] - [ 0.0003862300000000, 0.0002529600000000, -0.0004775300000000 ] - [ 0.0000555400000000, -0.0001674900000000, -0.0000008600000000 ] - [ 0.0002499600000000, 0.0009168900000000, -0.0002041900000000 ] - [ 0.0007813000000000, -0.0001979000000000, 0.0003143600000000 ] - [ 0.0002198100000000, 0.0003195300000000, -0.0002435700000000 ] - [ 0.0046748500000000, -0.0113412200000000, 0.0067130000000000 ] - [ -0.0000285700000000, 0.0000298100000000, -0.0003568200000000 ] - [ 0.0034012500000000, 0.0007370300000000, 0.0000147200000000 ] - [ -0.0000115500000000, -0.0003232400000000, 0.0000096100000000 ] - [ 0.0035269800000000, -0.0060913700000000, 0.0000860500000000 ] - [ -0.0001209200000000, -0.0003006900000000, -0.0000845800000000 ] - [ -0.0002163900000000, 0.0001175800000000, -0.0005138800000000 ] - [ 0.0028023500000000, 0.0000858900000000, 0.0040451500000000 ] - [ -0.0000837400000000, 0.0002326000000000, 0.0000886000000000 ] - [ -0.0032134000000000, -0.0154348100000000, 0.0014865900000000 ] - [ 0.0001383000000000, 0.0001087400000000, -0.0001335500000000 ] - [ 0.0003245800000000, 0.0002160100000000, -0.0011061800000000 ] - [ 0.0000029100000000, 0.0002901300000000, -0.0003926700000000 ] - [ 0.0000694400000000, 0.0000707800000000, 0.0000151100000000 ] - [ -0.0000369900000000, 0.0001504500000000, -0.0003106300000000 ] - [ -0.0010017000000000, -0.0044326900000000, 0.0009600300000000 ] - [ 0.0112158000000000, -0.0224541000000000, -0.0073594200000000 ] - [ -0.0006752000000000, -0.0049883600000000, -0.0013926200000000 ] - [ 0.0001672500000000, 0.0001050700000000, -0.0000484600000000 ] - [ 0.0133238900000000, -0.0171151500000000, -0.0037742500000000 ] - [ 0.0000254600000000, 0.0001048800000000, -0.0001686900000000 ] - [ 0.0002407100000000, -0.0004882000000000, 0.0002282700000000 ] - [ 0.0017049600000000, 0.0016327100000000, -0.0026986500000000 ] - [ 0.0001428300000000, -0.0002941100000000, -0.0002614400000000 ] - [ 0.0009346200000000, 0.0005640900000000, -0.0003070600000000 ] - [ 0.0027409900000000, -0.0078341700000000, -0.0019286300000000 ] - [ 0.0001524000000000, -0.0000535200000000, -0.0000360800000000 ] - [ 0.0007005200000000, -0.0001816900000000, 0.0000260900000000 ] - [ 0.0000684300000000, 0.0006079400000000, 0.0000300200000000 ]- atom: 21 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ -0.0004480100000000, -0.0008869300000000, 0.0037957300000000 ] - [ 0.0002241600000000, -0.0002745700000000, 0.0008612300000000 ] - [ 0.0000527300000000, 0.0001362800000000, 0.0006245800000000 ] - [ -0.0006274200000000, -0.0009058400000000, 0.0016524000000000 ] - [ 0.0001728100000000, 0.0003585100000000, 0.0008989400000000 ] - [ -0.0002044100000000, 0.0004767900000000, 0.0014841200000000 ] - [ 0.0003960800000000, -0.0004905600000000, -0.0034694600000000 ] - [ 0.0003044000000000, -0.0003876100000000, 0.0011163400000000 ] - [ 0.0003645000000000, -0.0005992600000000, -0.0012856100000000 ] - [ -0.0010708200000000, 0.0007563200000000, 0.0003241900000000 ] - [ 0.0006150500000000, 0.0001837300000000, 0.0014657700000000 ] - [ 0.0000836800000000, 0.0002237300000000, 0.0005564500000000 ] - [ -0.0011226300000000, -0.0004887700000000, 0.0006951900000000 ] - [ -0.0002259000000000, -0.0002965000000000, 0.0008577800000000 ] - [ 0.0008106400000000, -0.0003713500000000, -0.0021491400000000 ] - [ -0.0006017800000000, -0.0006373500000000, 0.0001782800000000 ] - [ 0.0000235400000000, 0.0012973000000000, 0.0016407300000000 ] - [ 0.0010352300000000, 0.0007058500000000, -0.0018550900000000 ] - [ -0.0008482000000000, 0.0003290300000000, -0.0002152200000000 ] - [ -0.0000312100000000, -0.0000873700000000, 0.0004083000000000 ] - [ 0.0338401800000000, -0.0087641700000000, -0.0976067700000000 ] - [ 0.0001252300000000, 0.0005488500000000, 0.0026348100000000 ] - [ -0.0004763900000000, -0.0001257700000000, 0.0022465700000000 ] - [ 0.0031231000000000, 0.0001900100000000, -0.0111726100000000 ] - [ 0.0001040400000000, -0.0000724200000000, 0.0014371900000000 ] - [ -0.0005024000000000, 0.0005848800000000, 0.0010188000000000 ] - [ 0.0132956600000000, -0.0162087200000000, -0.0075401500000000 ] - [ 0.0001416000000000, 0.0001581900000000, 0.0013822800000000 ] - [ 0.0006937800000000, -0.0007743000000000, -0.0011473400000000 ] - [ -0.0010611700000000, -0.0003737200000000, -0.0020838100000000 ] - [ -0.0003168500000000, -0.0004289600000000, 0.0030377800000000 ] - [ 0.0000097600000000, 0.0003495600000000, 0.0010321800000000 ] - [ -0.0053270000000000, -0.0158894000000000, -0.0175543600000000 ] - [ 0.0003716100000000, 0.0006712200000000, 0.0015489600000000 ] - [ 0.0106790400000000, 0.0038128000000000, 0.0094662900000000 ] - [ -0.0121054700000000, -0.0042362300000000, 0.0047338100000000 ] - [ -0.0004152300000000, 0.0004506100000000, 0.0010949700000000 ] - [ 0.0008171400000000, 0.0017727500000000, 0.0036682400000000 ] - [ 0.0003339500000000, -0.0001764700000000, -0.0011933500000000 ] - [ -0.0051047000000000, 0.0031675100000000, 0.0085622700000000 ] - [ -0.0000316600000000, -0.0000906100000000, -0.0007040900000000 ] - [ 0.0006766800000000, 0.0003359700000000, 0.0006990200000000 ] - [ -0.0000168200000000, -0.0002608500000000, -0.0009014700000000 ] - [ -0.0085140600000000, 0.0170699400000000, 0.0147791000000000 ] - [ -0.0001154200000000, -0.0003393800000000, 0.0013930500000000 ] - [ -0.0037754000000000, 0.0025995700000000, 0.0009562400000000 ] - [ 0.0000214900000000, -0.0000671800000000, -0.0005271400000000 ] - [ 0.0000878500000000, -0.0003118600000000, -0.0005973800000000 ] - [ 0.0001134500000000, -0.0002849000000000, -0.0009202900000000 ] - [ -0.0007947100000000, 0.0040909200000000, 0.0151057700000000 ] - [ 0.0004940600000000, 0.0000072300000000, -0.0011687000000000 ] - [ 0.0004358300000000, -0.0000605300000000, -0.0008180600000000 ] - [ 0.0008341600000000, -0.0004242800000000, 0.0016789900000000 ] - [ -0.0007096800000000, -0.0002608200000000, -0.0005546000000000 ] - [ 0.0001768400000000, 0.0002182700000000, -0.0011474300000000 ] - [ 0.0027829400000000, -0.0035307500000000, 0.0126145700000000 ] - [ 0.0000138100000000, -0.0004149100000000, -0.0014785300000000 ] - [ -0.0049477600000000, -0.0012691900000000, 0.0008005700000000 ] - [ -0.0001617700000000, -0.0003988300000000, -0.0005233800000000 ] - [ -0.0055025200000000, -0.0024096800000000, 0.0034270800000000 ] - [ -0.0000246900000000, -0.0003044600000000, -0.0011636100000000 ] - [ -0.0003860300000000, 0.0003431500000000, -0.0009616100000000 ] - [ -0.0014384500000000, -0.0004719300000000, -0.0026130800000000 ] - [ -0.0005171100000000, -0.0001300600000000, -0.0007434000000000 ] - [ -0.0028102500000000, -0.0024226000000000, 0.0076239300000000 ] - [ 0.0000636400000000, 0.0003214900000000, -0.0008777700000000 ] - [ 0.0000058800000000, 0.0001989500000000, -0.0022769100000000 ] - [ 0.0000364600000000, -0.0000462800000000, -0.0006464900000000 ] - [ -0.0006295000000000, -0.0003259700000000, -0.0009603100000000 ] - [ 0.0001008000000000, 0.0003290800000000, -0.0010022400000000 ] - [ 0.0021991600000000, 0.0006908600000000, -0.0011854600000000 ] - [ -0.0117073800000000, 0.0119694800000000, 0.0108212600000000 ] - [ 0.0036645800000000, 0.0018214900000000, 0.0023500900000000 ] - [ 0.0002301800000000, 0.0001516200000000, -0.0006868400000000 ] - [ -0.0036312500000000, 0.0020895000000000, 0.0111390000000000 ] - [ 0.0002214000000000, 0.0004203100000000, -0.0008573300000000 ] - [ -0.0013284400000000, -0.0002310100000000, 0.0005226900000000 ] - [ -0.0010577000000000, 0.0039620900000000, 0.0015006300000000 ] - [ -0.0003862600000000, 0.0003044000000000, 0.0000105300000000 ] - [ -0.0004218900000000, -0.0004002700000000, 0.0016427700000000 ] - [ -0.0017429300000000, 0.0043299000000000, 0.0263950800000000 ] - [ 0.0002546500000000, -0.0000261400000000, -0.0008330300000000 ] - [ 0.0003384100000000, 0.0001326000000000, 0.0002299000000000 ] - [ 0.0007710600000000, -0.0006019900000000, -0.0006924400000000 ]- atom: 21 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0010672300000000, 0.0010368200000000, -0.0040769500000000 ] - [ -0.0002243100000000, 0.0001118900000000, -0.0009503200000000 ] - [ -0.0000539700000000, 0.0000268000000000, -0.0005398700000000 ] - [ 0.0010037100000000, 0.0011295000000000, -0.0018904900000000 ] - [ -0.0007983000000000, -0.0001987600000000, -0.0005793500000000 ] - [ 0.0005780500000000, -0.0006900800000000, -0.0017158000000000 ] - [ -0.0006487900000000, 0.0009127000000000, 0.0036240300000000 ] - [ -0.0006736800000000, 0.0001701900000000, -0.0008922300000000 ] - [ -0.0003323600000000, 0.0005957500000000, 0.0009302700000000 ] - [ 0.0006995100000000, -0.0005375200000000, -0.0000909700000000 ] - [ -0.0006425500000000, -0.0001858200000000, -0.0011070300000000 ] - [ 0.0001629800000000, 0.0002023600000000, -0.0007126000000000 ] - [ 0.0010956800000000, 0.0004905300000000, -0.0003337500000000 ] - [ -0.0000200700000000, -0.0001292900000000, -0.0007030000000000 ] - [ -0.0005651500000000, -0.0000541700000000, 0.0019928300000000 ] - [ -0.0000279900000000, 0.0004774200000000, 0.0001464900000000 ] - [ 0.0006076800000000, -0.0014684700000000, -0.0019715400000000 ] - [ -0.0010326200000000, -0.0008686900000000, 0.0019532400000000 ] - [ 0.0008470100000000, -0.0001651000000000, 0.0001257400000000 ] - [ 0.0000575100000000, 0.0000896200000000, -0.0007722800000000 ] - [ -0.0330281700000000, 0.0084469900000000, 0.0979277500000000 ] - [ 0.0008013700000000, -0.0003574200000000, -0.0026969400000000 ] - [ -0.0004481300000000, -0.0000664200000000, -0.0021869800000000 ] - [ -0.0040485300000000, -0.0000051700000000, 0.0112294000000000 ] - [ 0.0002827300000000, 0.0005670900000000, -0.0022485100000000 ] - [ 0.0005886200000000, -0.0010369100000000, -0.0013863500000000 ] - [ -0.0133467700000000, 0.0168411300000000, 0.0073348400000000 ] - [ 0.0005136200000000, -0.0008258900000000, -0.0014064200000000 ] - [ -0.0007889700000000, 0.0003241400000000, 0.0015095200000000 ] - [ 0.0004049100000000, -0.0002880100000000, 0.0020986500000000 ] - [ -0.0000661300000000, -0.0000658100000000, -0.0022304300000000 ] - [ -0.0006622600000000, 0.0003162500000000, -0.0010118300000000 ] - [ 0.0060334600000000, 0.0165363100000000, 0.0174014000000000 ] - [ -0.0004616200000000, -0.0002158000000000, -0.0011851200000000 ] - [ -0.0102026500000000, -0.0043204700000000, -0.0102516900000000 ] - [ 0.0117597900000000, 0.0047674100000000, -0.0039162600000000 ] - [ 0.0004171400000000, -0.0002901900000000, -0.0011082800000000 ] - [ -0.0010809200000000, -0.0021071400000000, -0.0035599800000000 ] - [ -0.0002256300000000, -0.0001584400000000, 0.0016524200000000 ] - [ 0.0048318100000000, -0.0033894700000000, -0.0083896600000000 ] - [ 0.0001732500000000, 0.0003827600000000, 0.0011095500000000 ] - [ -0.0004139200000000, 0.0000025500000000, -0.0007866800000000 ] - [ 0.0002191900000000, 0.0004683800000000, 0.0010725200000000 ] - [ 0.0085362200000000, -0.0164260900000000, -0.0144725000000000 ] - [ 0.0002577100000000, 0.0000486200000000, -0.0009866200000000 ] - [ 0.0037644000000000, -0.0027564700000000, -0.0011394900000000 ] - [ -0.0000186300000000, -0.0000948200000000, 0.0005118400000000 ] - [ 0.0001732000000000, -0.0000264700000000, 0.0005083900000000 ] - [ -0.0003747600000000, 0.0006258900000000, 0.0010127000000000 ] - [ 0.0003278000000000, -0.0038549200000000, -0.0149790600000000 ] - [ 0.0000741000000000, -0.0000295000000000, 0.0011821200000000 ] - [ -0.0003147100000000, -0.0003886000000000, 0.0006171800000000 ] - [ -0.0010358300000000, 0.0006274000000000, -0.0018435900000000 ] - [ 0.0007341800000000, 0.0001328200000000, 0.0007085100000000 ] - [ 0.0002310600000000, 0.0001272900000000, 0.0009870500000000 ] - [ -0.0025216900000000, 0.0030211500000000, -0.0122164600000000 ] - [ -0.0001542500000000, 0.0001222300000000, 0.0010707400000000 ] - [ 0.0050575300000000, 0.0017156200000000, -0.0010116000000000 ] - [ -0.0001797400000000, 0.0002556800000000, 0.0002682200000000 ] - [ 0.0054844500000000, 0.0022381700000000, -0.0037501100000000 ] - [ -0.0003833100000000, -0.0000404800000000, 0.0013244100000000 ] - [ 0.0002359600000000, -0.0003140100000000, 0.0011173200000000 ] - [ 0.0015321000000000, 0.0008068900000000, 0.0030818600000000 ] - [ -0.0000488700000000, 0.0001521400000000, 0.0007293800000000 ] - [ 0.0030939800000000, 0.0027476000000000, -0.0072015800000000 ] - [ 0.0000851000000000, -0.0003512900000000, 0.0007231200000000 ] - [ -0.0001184500000000, 0.0001371200000000, 0.0018200000000000 ] - [ -0.0000536700000000, 0.0001743900000000, 0.0004954600000000 ] - [ 0.0004272100000000, 0.0001192600000000, 0.0007920400000000 ] - [ -0.0002279100000000, -0.0001186700000000, 0.0005273900000000 ] - [ -0.0023134000000000, -0.0010366300000000, 0.0007168200000000 ] - [ 0.0119499700000000, -0.0127433400000000, -0.0107485200000000 ] - [ -0.0038117700000000, -0.0018566400000000, -0.0021749500000000 ] - [ -0.0001028900000000, -0.0003613800000000, 0.0011615000000000 ] - [ 0.0034852900000000, -0.0017796200000000, -0.0116238400000000 ] - [ -0.0003438300000000, 0.0000291800000000, 0.0010571100000000 ] - [ 0.0007712400000000, 0.0002104600000000, -0.0005287700000000 ] - [ 0.0014228800000000, -0.0041408600000000, -0.0012723100000000 ] - [ 0.0000442800000000, -0.0001616500000000, -0.0002631700000000 ] - [ 0.0008265800000000, 0.0000508700000000, -0.0017989200000000 ] - [ 0.0021367500000000, -0.0042586200000000, -0.0275311300000000 ] - [ -0.0002580300000000, 0.0001873100000000, 0.0008512100000000 ] - [ -0.0003153400000000, -0.0000038800000000, -0.0000752500000000 ] - [ -0.0004267100000000, 0.0007423200000000, 0.0009461800000000 ]- atom: 25 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ -0.0000268800000000, 0.0000600100000000, -0.0001145200000000 ] - [ 0.0019375300000000, -0.0000131700000000, -0.0002001300000000 ] - [ 0.0007670000000000, -0.0002910400000000, 0.0001093600000000 ] - [ -0.0003164800000000, 0.0042497500000000, -0.0017366100000000 ] - [ -0.0001074000000000, 0.0001306800000000, -0.0004323400000000 ] - [ -0.0002295600000000, -0.0001459200000000, -0.0001140800000000 ] - [ -0.0001626100000000, 0.0001815800000000, 0.0001660200000000 ] - [ -0.0001401900000000, -0.0002117400000000, -0.0004053300000000 ] - [ 0.0002178500000000, -0.0001558200000000, 0.0002313500000000 ] - [ -0.0007164900000000, -0.0000836600000000, 0.0017159700000000 ] - [ 0.0009664200000000, 0.0000843000000000, 0.0000625300000000 ] - [ 0.0012628500000000, 0.0000762000000000, -0.0006992600000000 ] - [ 0.0000284200000000, -0.0001722300000000, 0.0004416100000000 ] - [ -0.0028599900000000, 0.0015025700000000, 0.0000865500000000 ] - [ 0.0001711800000000, -0.0002815500000000, -0.0001292100000000 ] - [ -0.0005191600000000, 0.0000265300000000, 0.0024340000000000 ] - [ 0.0011508800000000, -0.0029955700000000, -0.0023744900000000 ] - [ 0.0001447600000000, 0.0000465600000000, 0.0004482000000000 ] - [ 0.0000568200000000, 0.0002392300000000, 0.0002153200000000 ] - [ 0.0008885000000000, 0.0003123300000000, -0.0002481900000000 ] - [ 0.0003179900000000, -0.0000053500000000, -0.0001605000000000 ] - [ -0.0116379400000000, -0.0155575300000000, 0.0080361400000000 ] - [ 0.0140341000000000, 0.0023796500000000, -0.0091779100000000 ] - [ -0.0003359700000000, 0.0006980800000000, -0.0000861300000000 ] - [ -0.2125088700000000, 0.0055109700000000, 0.0117225900000000 ] - [ -0.0017639000000000, 0.0002276900000000, 0.0038256700000000 ] - [ 0.0013116300000000, 0.0007864700000000, 0.0002465800000000 ] - [ -0.0048388500000000, -0.0018145400000000, -0.0011188800000000 ] - [ 0.0003671400000000, -0.0002061700000000, 0.0003694200000000 ] - [ -0.0015413400000000, -0.0006170500000000, 0.0002145200000000 ] - [ -0.0008999900000000, 0.0004310800000000, -0.0009318200000000 ] - [ 0.0015204400000000, -0.0003283100000000, 0.0003185300000000 ] - [ 0.0000615300000000, 0.0001782900000000, 0.0001075200000000 ] - [ 0.0021801500000000, 0.0027360700000000, 0.0004186600000000 ] - [ 0.0002884500000000, -0.0001737200000000, -0.0008386200000000 ] - [ -0.0004408900000000, 0.0003121000000000, 0.0015975100000000 ] - [ 0.0002044000000000, -0.0000890000000000, -0.0002850200000000 ] - [ -0.0000366900000000, -0.0000921500000000, -0.0000678500000000 ] - [ 0.0241095800000000, -0.0003713800000000, -0.0196705100000000 ] - [ 0.0000671800000000, -0.0000822500000000, -0.0000631900000000 ] - [ -0.0013711000000000, -0.0010362200000000, -0.0000712300000000 ] - [ 0.0003479100000000, 0.0003319900000000, -0.0002074600000000 ] - [ 0.0034082700000000, 0.0018450700000000, 0.0019720800000000 ] - [ 0.0001643000000000, 0.0000128400000000, 0.0000426400000000 ] - [ 0.0000091200000000, -0.0001376400000000, 0.0001489600000000 ] - [ -0.0006787900000000, -0.0001521800000000, -0.0003396200000000 ] - [ -0.0017695500000000, -0.0000492600000000, 0.0007381100000000 ] - [ -0.0008274000000000, 0.0007318300000000, 0.0003603300000000 ] - [ 0.0012061400000000, -0.0008364000000000, -0.0000022900000000 ] - [ -0.0001438300000000, 0.0001587800000000, 0.0000034700000000 ] - [ 0.0009434300000000, 0.0005010500000000, -0.0011486700000000 ] - [ 0.0440798500000000, -0.0446708900000000, -0.0135068400000000 ] - [ 0.0007471500000000, -0.0002834300000000, 0.0003770900000000 ] - [ -0.0020820100000000, -0.0004984600000000, -0.0006272100000000 ] - [ 0.0005000000000000, 0.0004504700000000, -0.0001302100000000 ] - [ 0.0002110100000000, -0.0000942500000000, 0.0000262500000000 ] - [ 0.0006465000000000, 0.0005699400000000, -0.0028417500000000 ] - [ -0.0000111800000000, 0.0002220700000000, 0.0000175600000000 ] - [ -0.0005201300000000, -0.0006909800000000, -0.0007036200000000 ] - [ -0.0001189100000000, -0.0001063200000000, -0.0001304200000000 ] - [ -0.0002193000000000, 0.0009949400000000, -0.0002396600000000 ] - [ 0.0006953200000000, -0.0009368800000000, 0.0018414000000000 ] - [ 0.0000651000000000, 0.0001278500000000, 0.0005688100000000 ] - [ -0.0015931400000000, -0.0016649700000000, -0.0002918400000000 ] - [ 0.0001872900000000, -0.0000891600000000, 0.0000411000000000 ] - [ 0.1026625700000000, 0.0117464400000000, 0.0344653000000000 ] - [ 0.0001734200000000, 0.0000290300000000, 0.0005490600000000 ] - [ -0.0010655200000000, 0.0000400500000000, -0.0020991200000000 ] - [ -0.0019534800000000, 0.0007781100000000, 0.0012224800000000 ] - [ 0.0389001500000000, 0.0347170800000000, -0.0142554800000000 ] - [ 0.0003643900000000, -0.0001509600000000, -0.0012001900000000 ] - [ 0.0001943100000000, 0.0000642600000000, -0.0000945500000000 ] - [ 0.0000008200000000, -0.0000389000000000, -0.0001435500000000 ] - [ 0.0014789300000000, 0.0000436400000000, 0.0016227300000000 ] - [ -0.0002864200000000, 0.0000131800000000, -0.0000165400000000 ] - [ 0.0025645300000000, 0.0003851200000000, 0.0005563300000000 ] - [ -0.0004610200000000, 0.0000530700000000, 0.0001103000000000 ] - [ -0.0004360000000000, -0.0005305500000000, 0.0002924700000000 ] - [ -0.0004145800000000, 0.0000485700000000, -0.0000707000000000 ] - [ 0.0004931100000000, -0.0002087900000000, 0.0001253100000000 ] - [ -0.0000982100000000, 0.0000626600000000, 0.0001442800000000 ] - [ 0.0005904300000000, 0.0024265100000000, -0.0002704100000000 ] - [ -0.0003255500000000, 0.0000475200000000, -0.0000756700000000 ] - [ 0.0007704900000000, -0.0007078300000000, -0.0006725100000000 ]- atom: 25 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0006513900000000, 0.0001022000000000, -0.0002069700000000 ] - [ -0.0019385400000000, -0.0001509200000000, 0.0001097100000000 ] - [ -0.0007713300000000, 0.0004539100000000, -0.0000255400000000 ] - [ 0.0006992000000000, -0.0040512200000000, 0.0015267300000000 ] - [ -0.0005148900000000, 0.0000309300000000, 0.0007527800000000 ] - [ 0.0006006900000000, -0.0000722600000000, -0.0001160600000000 ] - [ -0.0000782800000000, 0.0002463400000000, -0.0000137300000000 ] - [ -0.0002300400000000, -0.0000053800000000, 0.0006352400000000 ] - [ -0.0001918400000000, 0.0001529500000000, -0.0005906300000000 ] - [ 0.0003353900000000, 0.0003006700000000, -0.0014859300000000 ] - [ -0.0009966600000000, -0.0000857700000000, 0.0003002300000000 ] - [ -0.0010244400000000, 0.0003476300000000, 0.0005447100000000 ] - [ -0.0000555500000000, 0.0001740800000000, -0.0000798700000000 ] - [ 0.0026215900000000, -0.0019426900000000, 0.0000504000000000 ] - [ 0.0000740400000000, -0.0001458800000000, -0.0000279700000000 ] - [ -0.0001080800000000, -0.0001937200000000, -0.0021093100000000 ] - [ -0.0005251500000000, 0.0028541100000000, 0.0020774300000000 ] - [ -0.0001464400000000, -0.0002095400000000, -0.0003597800000000 ] - [ -0.0000564200000000, -0.0000753200000000, -0.0003032100000000 ] - [ -0.0008646200000000, -0.0003080100000000, -0.0001158400000000 ] - [ 0.0006136400000000, -0.0001932200000000, 0.0001004300000000 ] - [ 0.0125787100000000, 0.0157750400000000, -0.0081337600000000 ] - [ -0.0149297400000000, -0.0025749100000000, 0.0091784600000000 ] - [ -0.0005874300000000, -0.0004996900000000, 0.0001416600000000 ] - [ 0.2164033400000000, -0.0040958900000000, -0.0081762300000000 ] - [ 0.0018295700000000, -0.0006852300000000, -0.0042034100000000 ] - [ -0.0012251300000000, -0.0003360600000000, -0.0006094500000000 ] - [ 0.0054985000000000, 0.0011437000000000, 0.0010963800000000 ] - [ -0.0004577500000000, -0.0002513800000000, -0.0000068800000000 ] - [ 0.0008806400000000, -0.0000507200000000, -0.0001969000000000 ] - [ 0.0005258700000000, -0.0009137000000000, 0.0017439600000000 ] - [ -0.0021809000000000, 0.0010027000000000, -0.0003039100000000 ] - [ 0.0005909600000000, 0.0004865600000000, -0.0001282300000000 ] - [ -0.0022618700000000, -0.0022423100000000, -0.0000641300000000 ] - [ 0.0000967300000000, -0.0003187000000000, 0.0000288000000000 ] - [ 0.0000521900000000, 0.0001820400000000, -0.0007870600000000 ] - [ -0.0001986000000000, 0.0002484600000000, 0.0002702300000000 ] - [ -0.0002245900000000, -0.0002471700000000, 0.0001574000000000 ] - [ -0.0238260300000000, 0.0000341000000000, 0.0196367300000000 ] - [ -0.0000702300000000, -0.0000768000000000, 0.0000797200000000 ] - [ 0.0015182900000000, 0.0013261100000000, 0.0004878000000000 ] - [ -0.0000847400000000, 0.0000068200000000, 0.0001195700000000 ] - [ -0.0031822800000000, -0.0016527500000000, -0.0017969000000000 ] - [ -0.0000115400000000, 0.0000171600000000, -0.0001939200000000 ] - [ 0.0001323500000000, -0.0001540300000000, 0.0002615300000000 ] - [ 0.0006581200000000, 0.0000227800000000, 0.0001849900000000 ] - [ 0.0017798500000000, -0.0001149700000000, -0.0007556700000000 ] - [ 0.0010928100000000, -0.0010738600000000, -0.0004484600000000 ] - [ -0.0014663400000000, 0.0011898400000000, 0.0000936300000000 ] - [ -0.0002636100000000, 0.0001877300000000, 0.0001540600000000 ] - [ -0.0003681600000000, -0.0005167700000000, 0.0011721900000000 ] - [ -0.0432911500000000, 0.0427195000000000, 0.0127584700000000 ] - [ -0.0009450700000000, 0.0004887000000000, -0.0005454700000000 ] - [ 0.0020996800000000, 0.0003609900000000, 0.0007799800000000 ] - [ -0.0000873000000000, -0.0001028600000000, -0.0000210900000000 ] - [ -0.0000066700000000, -0.0001104600000000, 0.0001424800000000 ] - [ -0.0007351300000000, -0.0008737500000000, 0.0024370100000000 ] - [ 0.0001297600000000, 0.0002241200000000, -0.0002158000000000 ] - [ 0.0001808200000000, 0.0005379600000000, 0.0004505300000000 ] - [ -0.0000093600000000, -0.0001035200000000, -0.0003413200000000 ] - [ -0.0001848500000000, -0.0013492900000000, 0.0004033200000000 ] - [ -0.0008501400000000, 0.0009650200000000, -0.0016999700000000 ] - [ 0.0000464800000000, 0.0002062300000000, -0.0001180800000000 ] - [ 0.0010089500000000, 0.0016637300000000, 0.0002941000000000 ] - [ -0.0000606500000000, 0.0002974000000000, 0.0004342100000000 ] - [ -0.1072107300000000, -0.0120314200000000, -0.0374123800000000 ] - [ -0.0002865700000000, 0.0003048700000000, -0.0009979100000000 ] - [ 0.0010413400000000, 0.0000904800000000, 0.0019353000000000 ] - [ 0.0017570300000000, -0.0009860500000000, -0.0013948700000000 ] - [ -0.0387911500000000, -0.0336279800000000, 0.0133061600000000 ] - [ -0.0004767500000000, -0.0001823400000000, 0.0007482200000000 ] - [ -0.0003148300000000, -0.0005078400000000, 0.0002955700000000 ] - [ -0.0001531700000000, 0.0000086100000000, 0.0002962900000000 ] - [ -0.0013688900000000, -0.0002596900000000, -0.0011356000000000 ] - [ 0.0001440000000000, 0.0002808100000000, -0.0003949300000000 ] - [ -0.0026994500000000, 0.0000574400000000, -0.0003598500000000 ] - [ -0.0001075600000000, -0.0000750900000000, -0.0001188600000000 ] - [ 0.0007825900000000, 0.0003928300000000, -0.0000430800000000 ] - [ 0.0000721200000000, 0.0000972700000000, -0.0001829400000000 ] - [ -0.0000837900000000, -0.0001372000000000, -0.0002795200000000 ] - [ 0.0006680700000000, -0.0000417000000000, -0.0001372100000000 ] - [ -0.0005837600000000, -0.0022838400000000, 0.0002927900000000 ] - [ 0.0003461600000000, 0.0000833000000000, 0.0002299500000000 ] - [ -0.0004226800000000, 0.0008468100000000, 0.0009294800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002914400000000, 0.0002135300000000, -0.0004235300000000 ] - [ -0.0003500100000000, -0.0002183800000000, -0.0000806400000000 ] - [ -0.0001992600000000, 0.0002285200000000, 0.0000846100000000 ] - [ 0.0040032100000000, 0.0033691600000000, -0.0020909500000000 ] - [ -0.0002047000000000, -0.0002644200000000, 0.0003303900000000 ] - [ 0.0001757700000000, -0.0002186500000000, -0.0003674300000000 ] - [ -0.0001465300000000, 0.0003090600000000, 0.0000634800000000 ] - [ -0.0000105200000000, 0.0002867300000000, 0.0002519600000000 ] - [ 0.0000059000000000, -0.0000294800000000, -0.0002173800000000 ] - [ 0.0002009100000000, 0.0002760200000000, 0.0020300500000000 ] - [ -0.0002533900000000, 0.0002069700000000, 0.0001165200000000 ] - [ 0.0012405800000000, 0.0036674300000000, -0.0002894000000000 ] - [ -0.0000519200000000, 0.0000372600000000, 0.0000634900000000 ] - [ 0.0016839000000000, 0.0001720300000000, 0.0018985600000000 ] - [ 0.0001068100000000, -0.0002015100000000, -0.0001776100000000 ] - [ -0.0007349300000000, 0.0000472800000000, -0.0020985600000000 ] - [ -0.0018806200000000, 0.0010502900000000, 0.0016136000000000 ] - [ 0.0000219200000000, -0.0000511100000000, 0.0000280900000000 ] - [ -0.0000193400000000, 0.0000516100000000, -0.0001457800000000 ] - [ -0.0002918700000000, -0.0000493500000000, -0.0001475500000000 ] - [ 0.0005202400000000, -0.0001832800000000, -0.0003452100000000 ] - [ -0.0096130200000000, -0.0011939300000000, -0.0062921600000000 ] - [ -0.0014290300000000, -0.0239665800000000, 0.0044519500000000 ] - [ -0.0003696100000000, -0.0000035200000000, -0.0001370300000000 ] - [ 0.0025244600000000, -0.2039459900000000, 0.0064530700000000 ] - [ -0.0002947100000000, -0.0017108100000000, -0.0006798400000000 ] - [ -0.0000968800000000, 0.0001050500000000, -0.0003459500000000 ] - [ -0.0021203400000000, -0.0011815100000000, -0.0004867500000000 ] - [ -0.0001836500000000, -0.0001122100000000, 0.0000397500000000 ] - [ -0.0000243800000000, -0.0005155600000000, -0.0002103800000000 ] - [ 0.0004781700000000, -0.0002518800000000, -0.0013862000000000 ] - [ -0.0020448000000000, 0.0007896700000000, 0.0017551000000000 ] - [ 0.0003515500000000, 0.0003710200000000, -0.0001515000000000 ] - [ 0.0006537400000000, -0.0007693800000000, 0.0009342300000000 ] - [ 0.0001182500000000, -0.0002906800000000, -0.0004445300000000 ] - [ -0.0002594800000000, -0.0006027300000000, 0.0002013000000000 ] - [ 0.0000057300000000, 0.0001981100000000, 0.0002449300000000 ] - [ -0.0001552000000000, -0.0002239600000000, 0.0001417300000000 ] - [ -0.0000990400000000, 0.0221645500000000, 0.0014805300000000 ] - [ -0.0000319200000000, -0.0000850300000000, 0.0000960700000000 ] - [ 0.0000683000000000, 0.0014290300000000, 0.0005160000000000 ] - [ 0.0000815500000000, 0.0001856900000000, -0.0000132400000000 ] - [ 0.0012533900000000, -0.0006921400000000, 0.0006030600000000 ] - [ 0.0000689900000000, 0.0000488300000000, -0.0000635100000000 ] - [ 0.0001050600000000, -0.0001952100000000, 0.0003121300000000 ] - [ 0.0001695800000000, -0.0000071000000000, -0.0000048300000000 ] - [ -0.0000007400000000, 0.0010347000000000, 0.0000064000000000 ] - [ 0.0006623300000000, -0.0013571700000000, -0.0006438800000000 ] - [ 0.0006128700000000, -0.0000719600000000, -0.0000109600000000 ] - [ -0.0002518000000000, 0.0001574600000000, 0.0002197200000000 ] - [ 0.0004140800000000, 0.0004197400000000, 0.0010461000000000 ] - [ -0.0354639900000000, 0.0896140300000000, 0.0152993600000000 ] - [ -0.0004135900000000, 0.0001346100000000, 0.0000608400000000 ] - [ 0.0004461400000000, 0.0002287900000000, 0.0001029000000000 ] - [ 0.0021864400000000, -0.0002422800000000, -0.0020570500000000 ] - [ 0.0001026300000000, -0.0001508600000000, 0.0002124700000000 ] - [ 0.0007674100000000, 0.0007934000000000, 0.0005408000000000 ] - [ 0.0000350800000000, 0.0002559700000000, -0.0000670700000000 ] - [ -0.0009333500000000, 0.0002327600000000, -0.0004994600000000 ] - [ -0.0000699000000000, -0.0000773100000000, -0.0002214100000000 ] - [ 0.0001835100000000, -0.0006739100000000, 0.0002676200000000 ] - [ -0.0015476800000000, 0.0014272900000000, 0.0004711400000000 ] - [ 0.0000716800000000, 0.0001566000000000, 0.0002840200000000 ] - [ -0.0014178100000000, 0.0020616800000000, -0.0012903700000000 ] - [ 0.0001061000000000, 0.0004207400000000, 0.0001484800000000 ] - [ 0.0067594200000000, 0.0214362700000000, -0.0003061900000000 ] - [ -0.0002280500000000, 0.0001778700000000, 0.0000862300000000 ] - [ 0.0003029000000000, 0.0002362800000000, 0.0001998000000000 ] - [ 0.0019378800000000, -0.0007142700000000, -0.0015328800000000 ] - [ 0.0320035900000000, 0.0825207500000000, -0.0248626400000000 ] - [ -0.0001014800000000, -0.0003197000000000, -0.0000025400000000 ] - [ -0.0001949100000000, 0.0000870500000000, 0.0003797100000000 ] - [ -0.0001224000000000, 0.0000548400000000, 0.0002002900000000 ] - [ -0.0002198200000000, 0.0022420800000000, 0.0033577900000000 ] - [ -0.0000230000000000, 0.0001529400000000, -0.0000890400000000 ] - [ -0.0000990000000000, 0.0000163000000000, 0.0015670200000000 ] - [ -0.0002202200000000, -0.0000642300000000, 0.0000056600000000 ] - [ 0.0001847100000000, 0.0000997500000000, 0.0002322400000000 ] - [ -0.0001496000000000, -0.0000193100000000, -0.0000909400000000 ] - [ 0.0000771500000000, -0.0001196000000000, -0.0001050200000000 ] - [ 0.0002731300000000, -0.0001280600000000, 0.0002272600000000 ] - [ 0.0007612300000000, 0.0012453200000000, -0.0003465400000000 ] - [ 0.0001489000000000, 0.0000468000000000, 0.0001436900000000 ] - [ 0.0001558600000000, 0.0004411900000000, -0.0000442300000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003320600000000, -0.0000523200000000, 0.0001033000000000 ] - [ 0.0003588600000000, 0.0000552200000000, -0.0000072700000000 ] - [ 0.0001990500000000, -0.0000671300000000, 0.0000018500000000 ] - [ -0.0036906700000000, -0.0031952000000000, 0.0018884800000000 ] - [ -0.0004176400000000, 0.0004253100000000, -0.0000126100000000 ] - [ 0.0001927200000000, -0.0000000100000000, 0.0001359600000000 ] - [ -0.0000956200000000, 0.0001187800000000, 0.0000871600000000 ] - [ -0.0003597200000000, -0.0005049300000000, -0.0000232800000000 ] - [ 0.0000210700000000, 0.0000260300000000, -0.0001435400000000 ] - [ -0.0005706200000000, -0.0000647600000000, -0.0017869800000000 ] - [ 0.0002280000000000, -0.0002081000000000, 0.0002458900000000 ] - [ -0.0010022600000000, -0.0032384700000000, 0.0001301400000000 ] - [ 0.0000255800000000, -0.0000361600000000, 0.0002992500000000 ] - [ -0.0019373100000000, -0.0006007200000000, -0.0017548100000000 ] - [ 0.0001381800000000, -0.0002266200000000, 0.0000211800000000 ] - [ 0.0001171000000000, -0.0002087200000000, 0.0024323800000000 ] - [ 0.0024798600000000, -0.0012107400000000, -0.0019212800000000 ] - [ -0.0000227900000000, -0.0001118500000000, 0.0000600500000000 ] - [ 0.0000206700000000, 0.0001121300000000, 0.0000589000000000 ] - [ 0.0003207700000000, 0.0000525500000000, -0.0002157300000000 ] - [ 0.0004017900000000, -0.0000141400000000, 0.0002849200000000 ] - [ 0.0104809900000000, 0.0013348300000000, 0.0062289300000000 ] - [ 0.0004619900000000, 0.0237764200000000, -0.0043531200000000 ] - [ -0.0005521400000000, 0.0002042700000000, 0.0001947800000000 ] - [ -0.0071301900000000, 0.2045983700000000, -0.0038933700000000 ] - [ 0.0003697300000000, 0.0012583900000000, 0.0003265000000000 ] - [ 0.0001878500000000, 0.0003575000000000, -0.0000175800000000 ] - [ 0.0027533000000000, 0.0005053500000000, 0.0004587500000000 ] - [ 0.0000954200000000, -0.0003445600000000, 0.0003233200000000 ] - [ -0.0006372900000000, -0.0001514000000000, 0.0002277800000000 ] - [ -0.0008532500000000, -0.0002077100000000, 0.0021935100000000 ] - [ 0.0013876600000000, -0.0001324500000000, -0.0017165000000000 ] - [ 0.0002981800000000, 0.0002917700000000, 0.0001303800000000 ] - [ -0.0007345900000000, 0.0012393200000000, -0.0005675100000000 ] - [ 0.0002656400000000, -0.0002015000000000, -0.0003673200000000 ] - [ -0.0001296500000000, 0.0010963900000000, 0.0006232400000000 ] - [ -0.0000021800000000, -0.0000412300000000, -0.0002605600000000 ] - [ -0.0001050500000000, -0.0001145600000000, -0.0000521100000000 ] - [ 0.0003501600000000, -0.0224883400000000, -0.0017359200000000 ] - [ 0.0000309000000000, -0.0000727200000000, -0.0000798800000000 ] - [ 0.0000644600000000, -0.0011534000000000, -0.0001172700000000 ] - [ 0.0001799400000000, 0.0001522100000000, -0.0000750500000000 ] - [ -0.0010210900000000, 0.0008931000000000, -0.0004233600000000 ] - [ 0.0000849200000000, -0.0000207100000000, -0.0000892900000000 ] - [ 0.0000339000000000, -0.0000951500000000, 0.0000974900000000 ] - [ -0.0001934900000000, -0.0001251100000000, -0.0001496000000000 ] - [ -0.0000169100000000, -0.0011790300000000, -0.0000140000000000 ] - [ -0.0004020900000000, 0.0010211500000000, 0.0005521100000000 ] - [ -0.0008675500000000, 0.0004153500000000, 0.0001037000000000 ] - [ -0.0001536200000000, 0.0001912600000000, -0.0000610100000000 ] - [ 0.0001603200000000, -0.0004382300000000, -0.0010308100000000 ] - [ 0.0381225400000000, -0.0933580500000000, -0.0167247500000000 ] - [ 0.0002160600000000, 0.0000666100000000, -0.0002245100000000 ] - [ -0.0004303400000000, -0.0003600900000000, 0.0000481200000000 ] - [ -0.0017615000000000, 0.0006011300000000, 0.0018925100000000 ] - [ 0.0001038700000000, -0.0000525000000000, -0.0000441200000000 ] - [ -0.0008911100000000, -0.0010853000000000, -0.0009543300000000 ] - [ 0.0000854200000000, 0.0001891600000000, -0.0001320800000000 ] - [ 0.0005872100000000, -0.0003801100000000, 0.0002440700000000 ] - [ -0.0000576500000000, -0.0001318000000000, -0.0002514500000000 ] - [ -0.0005886400000000, 0.0003310000000000, -0.0001083200000000 ] - [ 0.0014017400000000, -0.0014161900000000, -0.0003159600000000 ] - [ 0.0000398000000000, 0.0001774700000000, 0.0001712200000000 ] - [ 0.0008219900000000, -0.0020521400000000, 0.0012569300000000 ] - [ 0.0000229100000000, -0.0002147200000000, 0.0003233500000000 ] - [ -0.0061345100000000, -0.0213719500000000, 0.0003600300000000 ] - [ 0.0001147800000000, 0.0001508000000000, -0.0005337400000000 ] - [ -0.0003276100000000, -0.0001074500000000, -0.0003633300000000 ] - [ -0.0021449500000000, 0.0005219300000000, 0.0013675200000000 ] - [ -0.0301197800000000, -0.0791754300000000, 0.0226201300000000 ] - [ -0.0000085000000000, -0.0000139200000000, -0.0004637900000000 ] - [ 0.0000768700000000, -0.0005318300000000, -0.0001820400000000 ] - [ -0.0000304500000000, -0.0000843400000000, -0.0000481300000000 ] - [ 0.0003450100000000, -0.0024517700000000, -0.0028262900000000 ] - [ -0.0001177400000000, 0.0001353500000000, -0.0003185800000000 ] - [ -0.0000193700000000, 0.0004260400000000, -0.0013775800000000 ] - [ -0.0003492600000000, 0.0000419300000000, -0.0000164900000000 ] - [ 0.0001578100000000, -0.0002485000000000, 0.0000215800000000 ] - [ -0.0001945700000000, 0.0001631800000000, -0.0001623000000000 ] - [ 0.0003311600000000, -0.0002289000000000, -0.0000496400000000 ] - [ 0.0002976600000000, 0.0001478300000000, -0.0002173100000000 ] - [ -0.0007564500000000, -0.0010862500000000, 0.0003639400000000 ] - [ -0.0001301700000000, 0.0000833200000000, 0.0000096800000000 ] - [ 0.0001923900000000, -0.0003042100000000, 0.0002954300000000 ]- atom: 25 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0003393800000000, -0.0001607600000000, 0.0007502200000000 ] - [ 0.0003617200000000, 0.0001215500000000, -0.0012762600000000 ] - [ 0.0001124600000000, 0.0000903500000000, 0.0006831400000000 ] - [ -0.0016928600000000, -0.0037130900000000, -0.0037886600000000 ] - [ -0.0005110600000000, 0.0003741600000000, 0.0011047700000000 ] - [ 0.0001387500000000, 0.0001107000000000, 0.0008084500000000 ] - [ -0.0010333200000000, 0.0000018500000000, 0.0016461500000000 ] - [ -0.0003842200000000, -0.0003913600000000, 0.0009279900000000 ] - [ -0.0000488100000000, 0.0002310500000000, -0.0005644200000000 ] - [ 0.0032294400000000, 0.0031999500000000, 0.0003041100000000 ] - [ -0.0001229400000000, -0.0000433600000000, -0.0007450700000000 ] - [ -0.0009948000000000, -0.0003756500000000, 0.0005310500000000 ] - [ 0.0001194600000000, 0.0000599900000000, 0.0008272200000000 ] - [ 0.0005389900000000, 0.0005880800000000, 0.0017068500000000 ] - [ 0.0001222700000000, 0.0000154000000000, 0.0007135400000000 ] - [ 0.0026761500000000, -0.0026868700000000, -0.0012140800000000 ] - [ -0.0027776200000000, 0.0033107100000000, -0.0029175100000000 ] - [ -0.0000177800000000, -0.0002456800000000, -0.0003954800000000 ] - [ 0.0002390400000000, 0.0000525100000000, 0.0006413400000000 ] - [ 0.0000468400000000, 0.0000189400000000, 0.0004736700000000 ] - [ -0.0009756900000000, -0.0000650700000000, 0.0015364200000000 ] - [ 0.0060412300000000, -0.0029982300000000, 0.0088343600000000 ] - [ -0.0130518700000000, 0.0015547000000000, 0.0042211800000000 ] - [ -0.0002302900000000, -0.0013111600000000, 0.0027413100000000 ] - [ 0.0530311500000000, 0.0040603000000000, -0.2676020200000000 ] - [ 0.0025864900000000, 0.0001486300000000, 0.0002919700000000 ] - [ -0.0014984200000000, -0.0015483600000000, 0.0000863100000000 ] - [ 0.0007742600000000, -0.0004610400000000, 0.0006335200000000 ] - [ 0.0005015400000000, -0.0008394000000000, 0.0015242700000000 ] - [ 0.0022295500000000, -0.0000774200000000, 0.0013651200000000 ] - [ -0.0013427300000000, -0.0021223300000000, 0.0027637100000000 ] - [ 0.0002636200000000, 0.0005914300000000, 0.0013647700000000 ] - [ 0.0004032300000000, 0.0002025800000000, 0.0006706000000000 ] - [ -0.0007360800000000, 0.0006609800000000, -0.0014604200000000 ] - [ -0.0002427300000000, -0.0002212300000000, 0.0015409200000000 ] - [ 0.0010195000000000, 0.0004384300000000, -0.0008097600000000 ] - [ -0.0006333800000000, 0.0004970800000000, -0.0003134200000000 ] - [ 0.0000158000000000, 0.0000491300000000, -0.0003787900000000 ] - [ -0.0249486000000000, 0.0003428600000000, 0.1684288800000000 ] - [ 0.0002539900000000, -0.0001104500000000, -0.0004432100000000 ] - [ 0.0010524000000000, 0.0003923500000000, 0.0020700600000000 ] - [ -0.0005250300000000, 0.0001202700000000, -0.0005671500000000 ] - [ -0.0011275600000000, -0.0000237900000000, 0.0001002600000000 ] - [ 0.0001376400000000, -0.0001699000000000, -0.0008554800000000 ] - [ -0.0002037300000000, 0.0001949400000000, -0.0008631300000000 ] - [ 0.0014767800000000, 0.0005873500000000, 0.0007887400000000 ] - [ 0.0008828600000000, -0.0002674300000000, -0.0007722400000000 ] - [ 0.0004400700000000, -0.0006537100000000, -0.0005681000000000 ] - [ -0.0007557400000000, 0.0010950700000000, 0.0006562100000000 ] - [ 0.0000385400000000, 0.0002232400000000, -0.0006077900000000 ] - [ -0.0004223200000000, -0.0005058800000000, -0.0016637800000000 ] - [ -0.0232276700000000, 0.0289870400000000, 0.0278106800000000 ] - [ -0.0018035800000000, 0.0008457700000000, -0.0016683700000000 ] - [ 0.0008460900000000, -0.0001062000000000, 0.0011727100000000 ] - [ 0.0013894400000000, -0.0005324700000000, -0.0009015600000000 ] - [ 0.0000685300000000, 0.0000364200000000, -0.0003979600000000 ] - [ -0.0011884900000000, -0.0005405200000000, 0.0021135000000000 ] - [ 0.0004575500000000, 0.0002855500000000, -0.0008401500000000 ] - [ -0.0001492300000000, 0.0002946600000000, 0.0016206100000000 ] - [ 0.0002501700000000, -0.0002825900000000, -0.0010677000000000 ] - [ -0.0004624800000000, 0.0002229800000000, -0.0004493000000000 ] - [ 0.0003845700000000, 0.0007754700000000, -0.0010681600000000 ] - [ 0.0003158700000000, 0.0002238200000000, -0.0013124600000000 ] - [ -0.0004434800000000, -0.0008505600000000, 0.0025111300000000 ] - [ 0.0000569300000000, 0.0005568600000000, -0.0001238400000000 ] - [ 0.0208833400000000, 0.0006996500000000, 0.0287017700000000 ] - [ 0.0003864300000000, 0.0005031600000000, -0.0020835600000000 ] - [ -0.0005232700000000, 0.0000490900000000, -0.0000320100000000 ] - [ -0.0007828600000000, -0.0003287200000000, 0.0000467900000000 ] - [ -0.0222972400000000, -0.0342530300000000, 0.0296598300000000 ] - [ -0.0003918200000000, -0.0003697500000000, 0.0005920300000000 ] - [ 0.0000533500000000, -0.0014769600000000, -0.0002276000000000 ] - [ -0.0003976700000000, -0.0002767600000000, -0.0001464400000000 ] - [ 0.0010122500000000, 0.0014712400000000, -0.0010150800000000 ] - [ 0.0003210300000000, 0.0002788800000000, -0.0004565800000000 ] - [ 0.0003870900000000, 0.0007408100000000, -0.0005662300000000 ] - [ -0.0004877700000000, 0.0002158600000000, -0.0010383400000000 ] - [ 0.0011595100000000, 0.0014969100000000, -0.0000867100000000 ] - [ -0.0000904800000000, 0.0004365900000000, -0.0008594000000000 ] - [ -0.0003289100000000, -0.0001468800000000, -0.0017202100000000 ] - [ 0.0008261000000000, 0.0000196800000000, -0.0000115400000000 ] - [ -0.0004595700000000, 0.0007622800000000, 0.0003591600000000 ] - [ -0.0005419800000000, 0.0001226500000000, -0.0007387400000000 ] - [ -0.0000173200000000, -0.0002033400000000, -0.0007066500000000 ]- atom: 25 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0002842200000000, 0.0003196200000000, -0.0010666300000000 ] - [ -0.0003601900000000, -0.0002852500000000, 0.0011805400000000 ] - [ -0.0001134400000000, 0.0000723700000000, -0.0005926700000000 ] - [ 0.0020611200000000, 0.0039228100000000, 0.0035293700000000 ] - [ -0.0001121600000000, -0.0002134700000000, -0.0007799400000000 ] - [ 0.0002296500000000, -0.0003278300000000, -0.0010343500000000 ] - [ 0.0007865900000000, 0.0004239500000000, -0.0014876300000000 ] - [ 0.0000136600000000, 0.0001732400000000, -0.0006943300000000 ] - [ 0.0000746100000000, -0.0002327300000000, 0.0002010900000000 ] - [ -0.0035814300000000, -0.0029673000000000, -0.0000637800000000 ] - [ 0.0000963500000000, 0.0000414900000000, 0.0011019500000000 ] - [ 0.0012360500000000, 0.0008034700000000, -0.0006924400000000 ] - [ -0.0001451900000000, -0.0000579500000000, -0.0004610400000000 ] - [ -0.0007886300000000, -0.0010202700000000, -0.0015492100000000 ] - [ 0.0001242400000000, -0.0004402400000000, -0.0008667800000000 ] - [ -0.0032730000000000, 0.0025051900000000, 0.0015391700000000 ] - [ 0.0033864000000000, -0.0034516600000000, 0.0025795000000000 ] - [ 0.0000168300000000, 0.0000816400000000, 0.0004817700000000 ] - [ -0.0002366500000000, 0.0001114100000000, -0.0007254100000000 ] - [ -0.0000201200000000, -0.0000153700000000, -0.0008328600000000 ] - [ 0.0018915900000000, -0.0001338400000000, -0.0015890900000000 ] - [ -0.0051543700000000, 0.0031836700000000, -0.0088585900000000 ] - [ 0.0121334300000000, -0.0017696700000000, -0.0041489100000000 ] - [ -0.0006895200000000, 0.0015054400000000, -0.0026702000000000 ] - [ -0.0520619300000000, -0.0040839200000000, 0.2574431800000000 ] - [ -0.0024958000000000, -0.0006026300000000, -0.0006553800000000 ] - [ 0.0015764000000000, 0.0019909800000000, -0.0004475400000000 ] - [ -0.0001306700000000, -0.0002108100000000, -0.0006515400000000 ] - [ -0.0005865000000000, 0.0003767400000000, -0.0011525000000000 ] - [ -0.0028735200000000, -0.0005890200000000, -0.0013400100000000 ] - [ 0.0009668300000000, 0.0016516900000000, -0.0019453500000000 ] - [ -0.0009165200000000, 0.0000795300000000, -0.0013357000000000 ] - [ 0.0002469600000000, 0.0004596400000000, -0.0006873600000000 ] - [ 0.0006502300000000, -0.0001970100000000, 0.0018140800000000 ] - [ 0.0006233100000000, -0.0002687300000000, -0.0023395200000000 ] - [ -0.0014001400000000, 0.0000548000000000, 0.0016221800000000 ] - [ 0.0006341100000000, -0.0003389000000000, 0.0002959700000000 ] - [ -0.0002752900000000, -0.0003857200000000, 0.0004661200000000 ] - [ 0.0238045800000000, -0.0007269900000000, -0.1586442700000000 ] - [ -0.0002547700000000, -0.0000455600000000, 0.0004573400000000 ] - [ -0.0009059500000000, -0.0000999200000000, -0.0016522600000000 ] - [ 0.0007825100000000, 0.0002176200000000, 0.0004757100000000 ] - [ 0.0013432600000000, 0.0002273300000000, 0.0000761100000000 ] - [ 0.0000181500000000, 0.0001979400000000, 0.0006997300000000 ] - [ 0.0003417200000000, -0.0004833200000000, 0.0012667800000000 ] - [ -0.0014903400000000, -0.0007148100000000, -0.0009391400000000 ] - [ -0.0008758200000000, 0.0001079500000000, 0.0007535500000000 ] - [ -0.0001779900000000, 0.0003119000000000, 0.0004759100000000 ] - [ 0.0004951700000000, -0.0007500900000000, -0.0005619500000000 ] - [ -0.0004420100000000, 0.0001265200000000, 0.0007599800000000 ] - [ 0.0009929100000000, 0.0004858000000000, 0.0016686400000000 ] - [ 0.0236385400000000, -0.0298863600000000, -0.0278986400000000 ] - [ 0.0015900000000000, -0.0006365800000000, 0.0014804000000000 ] - [ -0.0008237500000000, -0.0000244900000000, -0.0010144700000000 ] - [ -0.0009667700000000, 0.0008763900000000, 0.0007442300000000 ] - [ 0.0001394700000000, -0.0002388300000000, 0.0005648800000000 ] - [ 0.0010640500000000, 0.0002436900000000, -0.0025142400000000 ] - [ -0.0003368800000000, 0.0001588100000000, 0.0006368200000000 ] - [ -0.0002007800000000, -0.0004396400000000, -0.0018663800000000 ] - [ -0.0003762000000000, 0.0000719800000000, 0.0005912700000000 ] - [ 0.0000560700000000, -0.0005684600000000, 0.0006043900000000 ] - [ -0.0005393500000000, -0.0007464300000000, 0.0012057300000000 ] - [ -0.0002020300000000, 0.0001103400000000, 0.0017541600000000 ] - [ -0.0001534900000000, 0.0008652200000000, -0.0025102300000000 ] - [ 0.0000716200000000, -0.0003459800000000, 0.0005923400000000 ] - [ -0.0209421300000000, -0.0007125400000000, -0.0287210000000000 ] - [ -0.0004996100000000, -0.0001718000000000, 0.0016302800000000 ] - [ 0.0004971300000000, 0.0000809400000000, -0.0001279800000000 ] - [ 0.0005776100000000, 0.0001228500000000, -0.0002199300000000 ] - [ 0.0227335100000000, 0.0354909400000000, -0.0303522400000000 ] - [ 0.0002787600000000, 0.0000335500000000, -0.0010476500000000 ] - [ -0.0001691800000000, 0.0010240900000000, 0.0004220900000000 ] - [ 0.0002414800000000, 0.0002449300000000, 0.0002965900000000 ] - [ -0.0008862200000000, -0.0016881100000000, 0.0014834200000000 ] - [ -0.0004598500000000, 0.0000123200000000, 0.0000470700000000 ] - [ -0.0005016000000000, -0.0002977700000000, 0.0007545500000000 ] - [ -0.0000836700000000, -0.0002353600000000, 0.0010227900000000 ] - [ -0.0007998900000000, -0.0016239100000000, 0.0003344500000000 ] - [ -0.0002523600000000, -0.0002877500000000, 0.0006007300000000 ] - [ 0.0007334200000000, -0.0002011300000000, 0.0015602600000000 ] - [ -0.0002528800000000, -0.0000010700000000, 0.0000219500000000 ] - [ 0.0004570700000000, -0.0006019200000000, -0.0003400600000000 ] - [ 0.0005562400000000, 0.0000086800000000, 0.0008869700000000 ] - [ 0.0003627100000000, 0.0003436600000000, 0.0009551300000000 ]- atom: 26 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0017702100000000, 0.0008021500000000, -0.0015390000000000 ] - [ -0.0003018200000000, -0.0000960500000000, 0.0001769300000000 ] - [ -0.0003665500000000, -0.0041329000000000, -0.0026178300000000 ] - [ 0.0003214200000000, 0.0003163800000000, 0.0002535200000000 ] - [ 0.0020234100000000, 0.0002141400000000, -0.0000764100000000 ] - [ 0.0034487100000000, -0.0003816700000000, -0.0031932600000000 ] - [ 0.0000696600000000, 0.0002116600000000, -0.0000640800000000 ] - [ 0.0005572100000000, 0.0000238300000000, -0.0001754200000000 ] - [ -0.0002745400000000, -0.0000187700000000, 0.0000241000000000 ] - [ -0.0001731800000000, -0.0000313700000000, 0.0004407300000000 ] - [ -0.0003108500000000, -0.0000064900000000, 0.0002640500000000 ] - [ 0.0004276400000000, 0.0003112900000000, 0.0001148800000000 ] - [ -0.0016812300000000, -0.0023599000000000, 0.0021664600000000 ] - [ 0.0007506800000000, -0.0004452300000000, 0.0023153200000000 ] - [ 0.0006833300000000, -0.0004018000000000, 0.0001063000000000 ] - [ -0.0003181900000000, -0.0000031800000000, 0.0004785300000000 ] - [ 0.0004178800000000, -0.0002273900000000, 0.0001463800000000 ] - [ -0.0002099400000000, -0.0001060400000000, 0.0002358600000000 ] - [ -0.0026080600000000, 0.0027549900000000, 0.0005680000000000 ] - [ -0.0005238500000000, 0.0052588800000000, -0.0027417200000000 ] - [ 0.0007999200000000, -0.0001454500000000, -0.0005248600000000 ] - [ -0.0000052600000000, -0.0032412100000000, 0.0135221800000000 ] - [ 0.0009620200000000, -0.0010079300000000, 0.0010998300000000 ] - [ 0.0014780000000000, 0.0012624200000000, 0.0008519700000000 ] - [ -0.0016099900000000, -0.0000824900000000, 0.0018074000000000 ] - [ -0.2353099200000000, 0.0117605700000000, -0.0135687500000000 ] - [ 0.0000026500000000, 0.0001958600000000, -0.0001526500000000 ] - [ -0.0009629400000000, -0.0014245500000000, 0.0034980300000000 ] - [ -0.0032127800000000, -0.0012128300000000, -0.0003471400000000 ] - [ -0.0010573400000000, -0.0004265700000000, 0.0022946900000000 ] - [ 0.0020203600000000, 0.0004538600000000, 0.0001740400000000 ] - [ 0.0008357500000000, 0.0011138700000000, 0.0002229900000000 ] - [ -0.0000325700000000, 0.0000628400000000, -0.0002407600000000 ] - [ -0.0002871000000000, 0.0003696800000000, 0.0002796200000000 ] - [ 0.0014504900000000, -0.0001070000000000, -0.0017134600000000 ] - [ 0.0002199100000000, 0.0003872200000000, 0.0010398400000000 ] - [ 0.0002048300000000, -0.0003167400000000, -0.0004769200000000 ] - [ 0.0005750000000000, -0.0000135400000000, 0.0003037700000000 ] - [ 0.0008175100000000, -0.0001624500000000, 0.0010529000000000 ] - [ 0.0004741300000000, 0.0000404100000000, 0.0001639700000000 ] - [ 0.0001346900000000, 0.0000992500000000, 0.0000510200000000 ] - [ 0.0002218700000000, 0.0003072900000000, -0.0007138400000000 ] - [ -0.0002162800000000, -0.0000502800000000, -0.0007163200000000 ] - [ -0.0007023400000000, 0.0002237300000000, 0.0004678700000000 ] - [ 0.0001514900000000, 0.0001818200000000, -0.0000924800000000 ] - [ 0.0000947400000000, -0.0000607900000000, -0.0001854400000000 ] - [ -0.0010464900000000, -0.0006338000000000, 0.0004116100000000 ] - [ -0.0002646700000000, -0.0000398800000000, 0.0001689400000000 ] - [ 0.0011222100000000, -0.0010607300000000, -0.0012881500000000 ] - [ -0.0001639200000000, 0.0002468600000000, 0.0002432800000000 ] - [ 0.0475446800000000, 0.0424999400000000, -0.0125552100000000 ] - [ 0.0002672600000000, -0.0003285800000000, -0.0006142300000000 ] - [ -0.0008139800000000, -0.0000616600000000, -0.0011410200000000 ] - [ 0.0000899200000000, -0.0000871800000000, -0.0001139900000000 ] - [ -0.0001881000000000, 0.0000200200000000, 0.0003617000000000 ] - [ 0.0002635500000000, -0.0002145200000000, 0.0006730700000000 ] - [ 0.0220547100000000, 0.0037383500000000, -0.0156273600000000 ] - [ -0.0008255000000000, 0.0001726600000000, 0.0004574700000000 ] - [ -0.0000727900000000, -0.0001215700000000, -0.0002719000000000 ] - [ -0.0009042800000000, 0.0000102000000000, 0.0001356400000000 ] - [ 0.0004697500000000, 0.0004327600000000, -0.0035109600000000 ] - [ -0.0013718100000000, -0.0000124600000000, -0.0003405000000000 ] - [ -0.0006350100000000, 0.0000234800000000, 0.0010187900000000 ] - [ -0.0003203200000000, 0.0000281000000000, -0.0002959600000000 ] - [ -0.0002845600000000, -0.0000426400000000, 0.0001257700000000 ] - [ 0.0029823100000000, 0.0009474600000000, -0.0019721300000000 ] - [ -0.0011314700000000, 0.0001197700000000, -0.0002374500000000 ] - [ 0.1159182000000000, -0.0086819500000000, 0.0494645100000000 ] - [ -0.0008400200000000, -0.0001009300000000, -0.0002406600000000 ] - [ -0.0001770900000000, 0.0008291300000000, -0.0013857600000000 ] - [ -0.0001470400000000, -0.0001904700000000, -0.0006280900000000 ] - [ -0.0003594600000000, -0.0002559000000000, 0.0000562200000000 ] - [ -0.0003597200000000, -0.0002066800000000, -0.0003408600000000 ] - [ -0.0019837200000000, -0.0002905600000000, -0.0003892200000000 ] - [ -0.0000017800000000, 0.0001127400000000, -0.0002410600000000 ] - [ -0.0006074300000000, 0.0004535100000000, 0.0001025500000000 ] - [ -0.0002782000000000, -0.0002151600000000, -0.0004403600000000 ] - [ 0.0002235700000000, -0.0000625600000000, 0.0000161700000000 ] - [ 0.0004237200000000, 0.0020172800000000, -0.0004408100000000 ] - [ 0.0000618300000000, -0.0009451300000000, -0.0018961900000000 ] - [ 0.0002802700000000, -0.0000150900000000, -0.0001054100000000 ] - [ 0.0009358500000000, 0.0006393000000000, -0.0005607800000000 ] - [ 0.0020792900000000, 0.0002281800000000, 0.0009871400000000 ] - [ 0.0473115200000000, -0.0488417800000000, -0.0145656400000000 ]- atom: 26 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ -0.0011437800000000, -0.0006344500000000, 0.0012280700000000 ] - [ 0.0003085100000000, -0.0000657500000000, -0.0002679000000000 ] - [ 0.0003617700000000, 0.0043230500000000, 0.0027287800000000 ] - [ 0.0000484400000000, -0.0000962300000000, -0.0004867100000000 ] - [ -0.0026542900000000, -0.0000522600000000, 0.0003958600000000 ] - [ -0.0030482000000000, 0.0001601800000000, 0.0029324400000000 ] - [ -0.0003157100000000, 0.0002142000000000, 0.0002180600000000 ] - [ -0.0009324700000000, -0.0002415400000000, 0.0004074100000000 ] - [ 0.0003014700000000, 0.0000157700000000, -0.0003892300000000 ] - [ -0.0001987700000000, 0.0002481700000000, -0.0002147400000000 ] - [ 0.0002870400000000, 0.0000036400000000, 0.0000971100000000 ] - [ -0.0001843600000000, 0.0001139400000000, -0.0002712200000000 ] - [ 0.0016546300000000, 0.0023744100000000, -0.0018248900000000 ] - [ -0.0009999900000000, 0.0000126300000000, -0.0021538700000000 ] - [ -0.0004400900000000, -0.0000248000000000, -0.0002642000000000 ] - [ -0.0003080200000000, -0.0001569500000000, -0.0001611000000000 ] - [ 0.0002071800000000, 0.0000644300000000, -0.0004709800000000 ] - [ 0.0002094400000000, -0.0000566000000000, -0.0001519600000000 ] - [ 0.0026170100000000, -0.0026096600000000, -0.0006777200000000 ] - [ 0.0005520300000000, -0.0052933000000000, 0.0024116600000000 ] - [ 0.0001256800000000, -0.0000488500000000, 0.0004614700000000 ] - [ 0.0008615600000000, 0.0034027600000000, -0.0135841800000000 ] - [ -0.0018976400000000, 0.0008152700000000, -0.0010287600000000 ] - [ -0.0024124000000000, -0.0010669000000000, -0.0008036200000000 ] - [ 0.0019991500000000, 0.0005750900000000, -0.0026213400000000 ] - [ 0.2396232300000000, -0.0132200400000000, 0.0174755200000000 ] - [ 0.0000881000000000, 0.0002617500000000, -0.0002156400000000 ] - [ 0.0016045200000000, 0.0007484900000000, -0.0035056700000000 ] - [ 0.0031184500000000, 0.0007611900000000, 0.0007016300000000 ] - [ 0.0003994400000000, -0.0002403700000000, -0.0022820600000000 ] - [ -0.0024170100000000, -0.0009258100000000, 0.0006423800000000 ] - [ -0.0014985400000000, -0.0004501200000000, -0.0001967200000000 ] - [ 0.0006908000000000, 0.0006088700000000, 0.0002128600000000 ] - [ 0.0001972500000000, 0.0000848700000000, 0.0000878800000000 ] - [ -0.0010706800000000, -0.0003883300000000, 0.0009058600000000 ] - [ -0.0006091100000000, 0.0001075700000000, -0.0002364400000000 ] - [ -0.0002006300000000, 0.0004760100000000, 0.0004640600000000 ] - [ -0.0008419200000000, -0.0003302200000000, -0.0002074700000000 ] - [ -0.0007062700000000, -0.0001725500000000, -0.0005779900000000 ] - [ -0.0004812400000000, -0.0002003300000000, -0.0001447600000000 ] - [ 0.0000077600000000, 0.0001926800000000, 0.0003529600000000 ] - [ 0.0000399100000000, 0.0000303000000000, 0.0006292900000000 ] - [ 0.0004208100000000, 0.0002564000000000, 0.0008826500000000 ] - [ 0.0008525800000000, -0.0001936100000000, -0.0006241000000000 ] - [ -0.0000074700000000, -0.0004759200000000, 0.0005056800000000 ] - [ -0.0001164800000000, -0.0000685500000000, 0.0000335600000000 ] - [ 0.0010592000000000, 0.0004787800000000, -0.0004352900000000 ] - [ 0.0005303600000000, -0.0003015400000000, -0.0002629500000000 ] - [ -0.0013851600000000, 0.0014086400000000, 0.0013767300000000 ] - [ -0.0002446000000000, 0.0000990900000000, -0.0000793300000000 ] - [ -0.0461259700000000, -0.0408474800000000, 0.0123032000000000 ] - [ -0.0001340200000000, -0.0001239600000000, 0.0004117500000000 ] - [ 0.0006141700000000, 0.0002661100000000, 0.0009759100000000 ] - [ -0.0000697000000000, -0.0000411700000000, 0.0002682900000000 ] - [ 0.0006005300000000, 0.0003260400000000, -0.0005289700000000 ] - [ -0.0000603500000000, 0.0000074000000000, -0.0005031400000000 ] - [ -0.0220932900000000, -0.0040083100000000, 0.0149789000000000 ] - [ 0.0009529600000000, 0.0002781400000000, -0.0006589900000000 ] - [ -0.0002686900000000, -0.0000221600000000, 0.0000183300000000 ] - [ 0.0007820600000000, -0.0002229400000000, -0.0006095500000000 ] - [ -0.0008764200000000, -0.0007908800000000, 0.0036458700000000 ] - [ 0.0012273200000000, 0.0000374600000000, 0.0004938300000000 ] - [ 0.0007470400000000, 0.0003144000000000, -0.0005616700000000 ] - [ -0.0002466700000000, -0.0000072600000000, 0.0002833700000000 ] - [ 0.0004120100000000, 0.0002547900000000, 0.0003521300000000 ] - [ -0.0028502600000000, -0.0009749000000000, 0.0017841300000000 ] - [ 0.0010230300000000, 0.0002110100000000, -0.0002270300000000 ] - [ -0.1213321600000000, 0.0093718200000000, -0.0529328500000000 ] - [ 0.0006409400000000, -0.0001056800000000, 0.0000707800000000 ] - [ 0.0000603100000000, -0.0006150100000000, 0.0009091700000000 ] - [ 0.0000376400000000, -0.0001449000000000, 0.0001753400000000 ] - [ 0.0002363800000000, -0.0001933800000000, 0.0001470900000000 ] - [ 0.0002149800000000, 0.0001793600000000, 0.0005007200000000 ] - [ 0.0021076300000000, 0.0000716200000000, 0.0008565000000000 ] - [ -0.0001415000000000, 0.0001785600000000, -0.0001622500000000 ] - [ 0.0005105100000000, -0.0000030000000000, 0.0001025700000000 ] - [ -0.0002845800000000, 0.0001959700000000, 0.0004361400000000 ] - [ 0.0001159800000000, -0.0000824300000000, 0.0002399700000000 ] - [ -0.0007576200000000, -0.0018821500000000, 0.0001914100000000 ] - [ 0.0003560900000000, 0.0006022600000000, 0.0017490900000000 ] - [ 0.0002874200000000, 0.0000348000000000, 0.0001192900000000 ] - [ -0.0009368300000000, -0.0004749200000000, 0.0005731100000000 ] - [ -0.0020489800000000, -0.0000977800000000, -0.0008265500000000 ] - [ -0.0467514600000000, 0.0477850800000000, 0.0144130300000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008269500000000, 0.0040607500000000, -0.0012369800000000 ] - [ -0.0001445800000000, -0.0000905500000000, 0.0002271300000000 ] - [ -0.0033179300000000, 0.0022490700000000, 0.0007316600000000 ] - [ 0.0001789000000000, 0.0000188300000000, 0.0001008400000000 ] - [ -0.0006311800000000, -0.0002194200000000, -0.0001392500000000 ] - [ -0.0010322400000000, -0.0048132000000000, -0.0000929800000000 ] - [ -0.0001375000000000, 0.0001236000000000, 0.0003314400000000 ] - [ 0.0000137000000000, 0.0002698300000000, -0.0002945300000000 ] - [ 0.0000124500000000, -0.0000592200000000, 0.0000329700000000 ] - [ -0.0001771400000000, 0.0001920100000000, 0.0003744200000000 ] - [ -0.0000247500000000, 0.0000456100000000, 0.0002854500000000 ] - [ 0.0003070100000000, 0.0004107700000000, 0.0001092500000000 ] - [ -0.0012744000000000, 0.0002714400000000, -0.0010692100000000 ] - [ -0.0013943100000000, 0.0004104700000000, -0.0039855000000000 ] - [ 0.0001539400000000, -0.0001228400000000, -0.0000336300000000 ] - [ -0.0002711900000000, -0.0001623200000000, 0.0003935200000000 ] - [ 0.0002297400000000, 0.0000262600000000, 0.0001108800000000 ] - [ 0.0000192200000000, -0.0000291800000000, 0.0002196200000000 ] - [ 0.0027747200000000, -0.0000029200000000, 0.0027970300000000 ] - [ 0.0054589000000000, 0.0035071800000000, -0.0035431000000000 ] - [ 0.0006626400000000, 0.0006143400000000, 0.0008342800000000 ] - [ 0.0009424700000000, 0.0007262500000000, 0.0169798000000000 ] - [ 0.0002927200000000, -0.0008036900000000, 0.0007580500000000 ] - [ -0.0007103600000000, -0.0001447400000000, 0.0004310900000000 ] - [ 0.0006423800000000, -0.0012412100000000, 0.0000810800000000 ] - [ 0.0094567100000000, -0.2304998400000000, -0.0128944600000000 ] - [ 0.0000779400000000, -0.0000295400000000, 0.0003820200000000 ] - [ -0.0009609000000000, -0.0012000000000000, 0.0016136200000000 ] - [ 0.0009357000000000, -0.0011608300000000, 0.0008448900000000 ] - [ 0.0000576400000000, -0.0006930800000000, -0.0001120000000000 ] - [ 0.0023030000000000, -0.0012362300000000, 0.0013662800000000 ] - [ -0.0002549600000000, -0.0000523900000000, -0.0001741100000000 ] - [ -0.0001214000000000, -0.0001591700000000, -0.0002101700000000 ] - [ 0.0001007500000000, 0.0004391000000000, 0.0005064400000000 ] - [ -0.0003621200000000, -0.0003720000000000, 0.0012898800000000 ] - [ -0.0002099400000000, 0.0003620900000000, 0.0010160100000000 ] - [ -0.0002405100000000, 0.0002963200000000, -0.0002961800000000 ] - [ 0.0000137400000000, 0.0005882100000000, 0.0002666400000000 ] - [ -0.0001270100000000, -0.0000020600000000, -0.0004926600000000 ] - [ 0.0000024600000000, -0.0002079600000000, 0.0003099700000000 ] - [ -0.0000122800000000, 0.0000284100000000, -0.0000650800000000 ] - [ 0.0001595500000000, 0.0003227100000000, -0.0000862200000000 ] - [ 0.0003348200000000, -0.0011823900000000, -0.0005064700000000 ] - [ 0.0007531800000000, -0.0004704800000000, -0.0006802600000000 ] - [ -0.0001858000000000, -0.0001752500000000, 0.0000284800000000 ] - [ -0.0001504000000000, -0.0000308100000000, -0.0003638000000000 ] - [ -0.0000783900000000, 0.0003382700000000, 0.0001131700000000 ] - [ -0.0003779300000000, -0.0001107000000000, 0.0002817200000000 ] - [ 0.0002864500000000, -0.0000943500000000, -0.0003040100000000 ] - [ -0.0001040000000000, 0.0002104700000000, -0.0000982800000000 ] - [ 0.0428853200000000, 0.0770606400000000, -0.0175755100000000 ] - [ 0.0002635800000000, 0.0003080300000000, -0.0000508200000000 ] - [ -0.0001021700000000, 0.0002656600000000, -0.0000615300000000 ] - [ -0.0001480200000000, -0.0000997700000000, -0.0001513400000000 ] - [ 0.0001738100000000, 0.0003586900000000, -0.0000227200000000 ] - [ 0.0001372400000000, 0.0000202300000000, 0.0002283300000000 ] - [ 0.0036357200000000, 0.0202966800000000, -0.0000107400000000 ] - [ 0.0004466800000000, 0.0004767700000000, -0.0004271900000000 ] - [ -0.0001855300000000, -0.0001665200000000, -0.0003020400000000 ] - [ 0.0003763000000000, -0.0006002900000000, -0.0008406600000000 ] - [ 0.0001235200000000, -0.0018938400000000, -0.0006957900000000 ] - [ -0.0001692600000000, 0.0003701700000000, -0.0000688100000000 ] - [ 0.0007649100000000, -0.0001916000000000, -0.0012214500000000 ] - [ -0.0004404800000000, -0.0000051400000000, -0.0003409200000000 ] - [ 0.0001219900000000, 0.0000066300000000, -0.0000014800000000 ] - [ -0.0003138100000000, 0.0018339900000000, -0.0006572300000000 ] - [ -0.0014936100000000, 0.0005473800000000, 0.0005018000000000 ] - [ -0.0094728000000000, 0.0227756700000000, -0.0051890400000000 ] - [ -0.0000256200000000, 0.0000035600000000, 0.0000294400000000 ] - [ -0.0009119300000000, 0.0005863200000000, -0.0007935400000000 ] - [ -0.0000153200000000, -0.0001855900000000, -0.0006866800000000 ] - [ 0.0000184200000000, -0.0003237400000000, -0.0001367800000000 ] - [ -0.0001218200000000, -0.0000974300000000, -0.0001675100000000 ] - [ -0.0018787100000000, 0.0018746400000000, -0.0014162700000000 ] - [ -0.0000633100000000, 0.0002256900000000, -0.0006588500000000 ] - [ -0.0021812600000000, -0.0007686900000000, -0.0008572800000000 ] - [ -0.0003483400000000, 0.0004276100000000, 0.0001291100000000 ] - [ 0.0002367900000000, 0.0000955700000000, -0.0001286600000000 ] - [ -0.0008184600000000, 0.0000495100000000, -0.0001813100000000 ] - [ -0.0001117400000000, 0.0000529100000000, 0.0000379400000000 ] - [ 0.0002719900000000, 0.0000289800000000, -0.0003302300000000 ] - [ 0.0011442800000000, 0.0011324600000000, -0.0004195700000000 ] - [ -0.0007848600000000, -0.0004168200000000, -0.0003632700000000 ] - [ -0.0457099600000000, 0.1058060000000000, 0.0266918100000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002017300000000, -0.0038898900000000, 0.0009257100000000 ] - [ 0.0001518900000000, -0.0000703300000000, -0.0003212000000000 ] - [ 0.0032760800000000, -0.0020747500000000, -0.0006259900000000 ] - [ 0.0001915300000000, 0.0002011800000000, -0.0003316900000000 ] - [ 0.0000182100000000, 0.0003832000000000, 0.0004590000000000 ] - [ 0.0013956200000000, 0.0045986400000000, -0.0001381000000000 ] - [ -0.0001074400000000, 0.0003018500000000, -0.0001779200000000 ] - [ -0.0003848800000000, -0.0004873500000000, 0.0005257700000000 ] - [ 0.0000129100000000, 0.0000558800000000, -0.0003968700000000 ] - [ -0.0001937200000000, 0.0000236700000000, -0.0001459400000000 ] - [ -0.0000017900000000, -0.0000488500000000, 0.0000763700000000 ] - [ -0.0000617900000000, 0.0000145100000000, -0.0002659600000000 ] - [ 0.0012395200000000, -0.0002757300000000, 0.0014246400000000 ] - [ 0.0011594300000000, -0.0008410900000000, 0.0041643600000000 ] - [ 0.0000925900000000, -0.0003050600000000, -0.0001233600000000 ] - [ -0.0003516300000000, 0.0000009300000000, -0.0000748500000000 ] - [ 0.0003934000000000, -0.0001909400000000, -0.0004325800000000 ] - [ -0.0000232700000000, -0.0001335600000000, -0.0001327000000000 ] - [ -0.0027854800000000, 0.0001667500000000, -0.0029096000000000 ] - [ -0.0055024800000000, -0.0035491600000000, 0.0032244700000000 ] - [ 0.0002611900000000, -0.0008123300000000, -0.0009017100000000 ] - [ -0.0000477500000000, -0.0005813500000000, -0.0169910500000000 ] - [ -0.0012091400000000, 0.0006029900000000, -0.0006838000000000 ] - [ -0.0002094000000000, 0.0003470800000000, -0.0003747200000000 ] - [ -0.0002705900000000, 0.0017294200000000, -0.0008858900000000 ] - [ -0.0154019200000000, 0.2319166200000000, 0.0149292900000000 ] - [ 0.0000099900000000, 0.0004912500000000, -0.0007523100000000 ] - [ 0.0016057900000000, 0.0005198000000000, -0.0016105600000000 ] - [ -0.0010475400000000, 0.0006987200000000, -0.0004903200000000 ] - [ -0.0007161100000000, 0.0000254600000000, 0.0001382300000000 ] - [ -0.0026881400000000, 0.0007707400000000, -0.0005483500000000 ] - [ -0.0003974000000000, 0.0007321200000000, 0.0001991100000000 ] - [ 0.0007759700000000, 0.0008317900000000, 0.0001829900000000 ] - [ -0.0001898800000000, 0.0000204100000000, -0.0001382700000000 ] - [ 0.0007494600000000, -0.0001213600000000, -0.0021004600000000 ] - [ -0.0001747000000000, 0.0001309700000000, -0.0002116100000000 ] - [ 0.0002443800000000, -0.0001394600000000, 0.0002809100000000 ] - [ -0.0002741100000000, -0.0009325800000000, -0.0001694300000000 ] - [ 0.0002431900000000, -0.0003329000000000, 0.0009583100000000 ] - [ -0.0000040800000000, 0.0000479000000000, -0.0002921200000000 ] - [ 0.0001531200000000, 0.0002612400000000, 0.0004687200000000 ] - [ 0.0001016100000000, 0.0000144200000000, -0.0000027800000000 ] - [ -0.0001298900000000, 0.0013915000000000, 0.0006704600000000 ] - [ -0.0006050600000000, 0.0005036600000000, 0.0005293000000000 ] - [ 0.0003286200000000, -0.0001143400000000, 0.0003804000000000 ] - [ 0.0001314700000000, -0.0001009100000000, 0.0002124200000000 ] - [ 0.0000783100000000, -0.0005054100000000, -0.0001287100000000 ] - [ 0.0006431500000000, -0.0002314700000000, -0.0003754900000000 ] - [ -0.0005458300000000, 0.0004405200000000, 0.0003866400000000 ] - [ -0.0003025800000000, 0.0001357300000000, 0.0002610900000000 ] - [ -0.0397271100000000, -0.0739154500000000, 0.0170475300000000 ] - [ -0.0001365600000000, -0.0007582500000000, -0.0001530800000000 ] - [ -0.0001023600000000, -0.0000627300000000, -0.0001082700000000 ] - [ 0.0001678300000000, -0.0000308800000000, 0.0003043600000000 ] - [ 0.0002333400000000, -0.0000150700000000, -0.0001383200000000 ] - [ 0.0000689700000000, -0.0002295900000000, -0.0000553100000000 ] - [ -0.0036690700000000, -0.0205955500000000, -0.0008365600000000 ] - [ -0.0003287300000000, -0.0000286000000000, 0.0002289800000000 ] - [ -0.0001565900000000, 0.0000208100000000, 0.0000470600000000 ] - [ -0.0005043600000000, 0.0003882400000000, 0.0003689700000000 ] - [ -0.0005272200000000, 0.0015444200000000, 0.0008175500000000 ] - [ 0.0000142600000000, -0.0003453100000000, 0.0002183700000000 ] - [ -0.0006593400000000, 0.0005319000000000, 0.0016777600000000 ] - [ -0.0001297400000000, 0.0000225700000000, 0.0003274500000000 ] - [ 0.0000042800000000, 0.0002029700000000, 0.0004770500000000 ] - [ 0.0004706800000000, -0.0018567900000000, 0.0004844900000000 ] - [ 0.0013757100000000, -0.0002192200000000, -0.0009632500000000 ] - [ 0.0099733900000000, -0.0227730000000000, 0.0052817000000000 ] - [ -0.0001818600000000, -0.0002121500000000, -0.0002000200000000 ] - [ 0.0007884600000000, -0.0003717600000000, 0.0003130800000000 ] - [ -0.0000963500000000, -0.0001501300000000, 0.0002383500000000 ] - [ -0.0001405800000000, -0.0001234500000000, 0.0003393800000000 ] - [ -0.0000286900000000, 0.0000681500000000, 0.0003229300000000 ] - [ 0.0019740900000000, -0.0020885300000000, 0.0018639400000000 ] - [ -0.0000775400000000, 0.0000628100000000, 0.0002565900000000 ] - [ 0.0020866000000000, 0.0012190900000000, 0.0010683700000000 ] - [ -0.0002177300000000, -0.0004472500000000, -0.0001374400000000 ] - [ 0.0001045200000000, -0.0002425300000000, 0.0003853500000000 ] - [ 0.0004852200000000, 0.0001015100000000, -0.0000723600000000 ] - [ 0.0005208500000000, -0.0004024600000000, -0.0002010800000000 ] - [ 0.0002988000000000, -0.0000129700000000, 0.0003434000000000 ] - [ -0.0011415300000000, -0.0009750200000000, 0.0004237400000000 ] - [ 0.0008253700000000, 0.0005528100000000, 0.0005291000000000 ] - [ 0.0490039300000000, -0.1104787000000000, -0.0281636300000000 ]- atom: 26 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ -0.0002487100000000, 0.0004798900000000, 0.0002475400000000 ] - [ -0.0009053800000000, -0.0004246000000000, 0.0011651800000000 ] - [ -0.0019217200000000, 0.0014892300000000, -0.0029789400000000 ] - [ 0.0001836100000000, -0.0002970700000000, 0.0005999200000000 ] - [ 0.0009758000000000, 0.0002837000000000, -0.0003362600000000 ] - [ -0.0029642000000000, -0.0007333600000000, 0.0015347600000000 ] - [ -0.0002022500000000, 0.0002695200000000, 0.0005227800000000 ] - [ -0.0000194300000000, -0.0000406300000000, -0.0004154900000000 ] - [ -0.0000324500000000, 0.0000218300000000, 0.0003324900000000 ] - [ -0.0000249000000000, 0.0002973000000000, 0.0006565700000000 ] - [ -0.0004330900000000, 0.0001276300000000, 0.0005196200000000 ] - [ 0.0002981400000000, 0.0002948700000000, -0.0002730600000000 ] - [ 0.0003991600000000, -0.0010596300000000, 0.0018534300000000 ] - [ 0.0013589000000000, -0.0024214800000000, -0.0021448200000000 ] - [ 0.0002645700000000, -0.0001983700000000, 0.0002005800000000 ] - [ -0.0001253800000000, -0.0002737700000000, 0.0006884400000000 ] - [ 0.0002621900000000, 0.0003111000000000, 0.0007514100000000 ] - [ 0.0000260900000000, -0.0000868000000000, 0.0005041600000000 ] - [ 0.0009390300000000, 0.0013587400000000, 0.0024776600000000 ] - [ -0.0016920400000000, -0.0032726000000000, -0.0032491000000000 ] - [ 0.0003705700000000, -0.0003405100000000, 0.0012675600000000 ] - [ 0.0153526400000000, 0.0173050000000000, -0.0071686700000000 ] - [ 0.0005830800000000, -0.0000628700000000, -0.0012315600000000 ] - [ -0.0000039100000000, 0.0000181100000000, 0.0014096100000000 ] - [ 0.0045053800000000, -0.0001859000000000, 0.0004509800000000 ] - [ 0.0330905100000000, -0.0161608500000000, -0.2080349100000000 ] - [ 0.0000856600000000, -0.0003203100000000, 0.0007325700000000 ] - [ 0.0035140400000000, 0.0016090800000000, -0.0058829400000000 ] - [ 0.0000954100000000, -0.0006797500000000, 0.0010060400000000 ] - [ 0.0000901700000000, -0.0004062900000000, 0.0007263800000000 ] - [ -0.0004194700000000, 0.0003494800000000, -0.0011451300000000 ] - [ -0.0003643100000000, -0.0001433000000000, -0.0000883700000000 ] - [ -0.0004750500000000, -0.0009040300000000, 0.0006190800000000 ] - [ 0.0001021700000000, 0.0005141400000000, 0.0004530900000000 ] - [ 0.0003512500000000, -0.0001139200000000, 0.0002280400000000 ] - [ -0.0000847900000000, 0.0003560700000000, 0.0016468500000000 ] - [ -0.0001042400000000, 0.0001001500000000, -0.0004782200000000 ] - [ 0.0005003400000000, 0.0008143700000000, -0.0007528900000000 ] - [ -0.0011634600000000, -0.0000454000000000, -0.0023117600000000 ] - [ 0.0002800000000000, 0.0001032900000000, -0.0002794800000000 ] - [ 0.0001696900000000, 0.0000911300000000, 0.0000217000000000 ] - [ 0.0000932300000000, 0.0002881400000000, -0.0004800600000000 ] - [ -0.0005128400000000, -0.0009823500000000, 0.0000045100000000 ] - [ 0.0001192600000000, -0.0002272800000000, -0.0003242700000000 ] - [ -0.0001131800000000, 0.0000133800000000, -0.0003663700000000 ] - [ -0.0001573200000000, 0.0000464700000000, -0.0006085900000000 ] - [ 0.0000236100000000, 0.0001678000000000, 0.0001444500000000 ] - [ 0.0000923400000000, 0.0000152100000000, 0.0002739000000000 ] - [ -0.0011063000000000, 0.0005595200000000, 0.0014887400000000 ] - [ 0.0000736400000000, 0.0004530300000000, -0.0006274600000000 ] - [ -0.0158971900000000, -0.0191719700000000, 0.0288465800000000 ] - [ -0.0013289500000000, 0.0003172100000000, 0.0001319700000000 ] - [ -0.0005248500000000, 0.0002485200000000, -0.0005886200000000 ] - [ 0.0000178500000000, -0.0001551100000000, -0.0002488800000000 ] - [ -0.0000212700000000, 0.0002254500000000, 0.0004082900000000 ] - [ 0.0003006700000000, 0.0002023900000000, -0.0002029900000000 ] - [ -0.0271662100000000, -0.0075464800000000, 0.1113634800000000 ] - [ 0.0001413400000000, 0.0002206900000000, -0.0003409500000000 ] - [ -0.0001360200000000, -0.0002772400000000, -0.0003673200000000 ] - [ -0.0000710200000000, -0.0003022900000000, -0.0006082400000000 ] - [ -0.0003417100000000, -0.0016902700000000, 0.0043888400000000 ] - [ -0.0003022300000000, -0.0004390000000000, 0.0007190200000000 ] - [ 0.0000620600000000, -0.0000395500000000, -0.0003467200000000 ] - [ -0.0004096000000000, 0.0000069800000000, -0.0001727000000000 ] - [ 0.0000591700000000, -0.0000166500000000, -0.0002074900000000 ] - [ -0.0021720500000000, -0.0006612600000000, 0.0011541700000000 ] - [ -0.0002044800000000, 0.0004309500000000, 0.0010088400000000 ] - [ 0.0246314300000000, -0.0028328100000000, 0.0378762800000000 ] - [ 0.0003162200000000, 0.0002168800000000, 0.0003981500000000 ] - [ -0.0017202400000000, -0.0002609800000000, 0.0000395100000000 ] - [ -0.0000541900000000, -0.0001544700000000, -0.0011908800000000 ] - [ 0.0000297100000000, -0.0003193600000000, -0.0003538700000000 ] - [ -0.0002594700000000, -0.0002012100000000, -0.0004525400000000 ] - [ -0.0003318800000000, -0.0005493500000000, 0.0017812000000000 ] - [ -0.0000766300000000, 0.0003238900000000, -0.0010124100000000 ] - [ -0.0005691400000000, -0.0000968300000000, 0.0025626900000000 ] - [ -0.0006053400000000, 0.0000629200000000, -0.0004431700000000 ] - [ 0.0003723400000000, 0.0003318900000000, -0.0004554700000000 ] - [ -0.0003989700000000, 0.0003764900000000, -0.0001847800000000 ] - [ 0.0001046400000000, -0.0000687600000000, -0.0004969200000000 ] - [ 0.0002590800000000, 0.0001140100000000, -0.0006982700000000 ] - [ -0.0012992800000000, -0.0026478200000000, 0.0007902400000000 ] - [ -0.0006731800000000, 0.0001389200000000, -0.0000619800000000 ] - [ -0.0228566900000000, 0.0358571000000000, 0.0336152100000000 ]- atom: 26 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0008639700000000, -0.0003144000000000, -0.0005579600000000 ] - [ 0.0009073600000000, 0.0002623300000000, -0.0012491800000000 ] - [ 0.0019173400000000, -0.0013140200000000, 0.0030415300000000 ] - [ 0.0001873000000000, 0.0005164100000000, -0.0008262800000000 ] - [ -0.0015925000000000, -0.0001176600000000, 0.0006507100000000 ] - [ 0.0033704600000000, 0.0005155100000000, -0.0017719700000000 ] - [ -0.0000418800000000, 0.0001570400000000, -0.0003670600000000 ] - [ -0.0003517500000000, -0.0001771300000000, 0.0006417700000000 ] - [ 0.0000580200000000, -0.0000246300000000, -0.0006945100000000 ] - [ -0.0003460900000000, -0.0000800900000000, -0.0004265600000000 ] - [ 0.0004038900000000, -0.0001295300000000, -0.0001554500000000 ] - [ -0.0000528700000000, 0.0001311400000000, 0.0001169000000000 ] - [ -0.0004321800000000, 0.0010700800000000, -0.0014916800000000 ] - [ -0.0015790300000000, 0.0019753400000000, 0.0022995500000000 ] - [ -0.0000196900000000, -0.0002288200000000, -0.0003548300000000 ] - [ -0.0004955200000000, 0.0001091100000000, -0.0003681600000000 ] - [ 0.0003596300000000, -0.0004761500000000, -0.0010673200000000 ] - [ -0.0000267800000000, -0.0000761300000000, -0.0004169300000000 ] - [ -0.0009464100000000, -0.0012096600000000, -0.0025718600000000 ] - [ 0.0017134500000000, 0.0032623300000000, 0.0028581200000000 ] - [ 0.0005554300000000, 0.0001442200000000, -0.0013236800000000 ] - [ -0.0143803000000000, -0.0170540000000000, 0.0070631900000000 ] - [ -0.0015150400000000, -0.0001299200000000, 0.0012943300000000 ] - [ -0.0009205700000000, 0.0001767400000000, -0.0013449000000000 ] - [ -0.0040934700000000, 0.0006654400000000, -0.0012436800000000 ] - [ -0.0320963800000000, 0.0161541700000000, 0.2006848600000000 ] - [ 0.0000020100000000, 0.0007742600000000, -0.0010939600000000 ] - [ -0.0028480200000000, -0.0022735000000000, 0.0058382900000000 ] - [ -0.0001875600000000, 0.0002226900000000, -0.0006397000000000 ] - [ -0.0007454500000000, -0.0002598200000000, -0.0007064600000000 ] - [ 0.0000287900000000, -0.0008385800000000, 0.0019437300000000 ] - [ -0.0002967400000000, 0.0008016700000000, 0.0001129400000000 ] - [ 0.0011326700000000, 0.0015805700000000, -0.0006374100000000 ] - [ -0.0001901700000000, -0.0000588700000000, -0.0000864200000000 ] - [ 0.0000333900000000, -0.0003795000000000, -0.0010285500000000 ] - [ -0.0002998200000000, 0.0001386600000000, -0.0008362100000000 ] - [ 0.0001086000000000, 0.0000607100000000, 0.0004618100000000 ] - [ -0.0007674800000000, -0.0011627200000000, 0.0008484200000000 ] - [ 0.0012720900000000, -0.0002874200000000, 0.0027763200000000 ] - [ -0.0002829200000000, -0.0002658800000000, 0.0002932500000000 ] - [ -0.0000252200000000, 0.0002023800000000, 0.0003836600000000 ] - [ 0.0001691300000000, 0.0000510700000000, 0.0003904200000000 ] - [ 0.0007130400000000, 0.0011779100000000, 0.0001590500000000 ] - [ 0.0000299400000000, 0.0002576900000000, 0.0001689400000000 ] - [ 0.0002561900000000, -0.0003056200000000, 0.0007738700000000 ] - [ 0.0001350600000000, -0.0001759200000000, 0.0004528200000000 ] - [ -0.0000090500000000, -0.0003231800000000, -0.0001651700000000 ] - [ 0.0001727100000000, -0.0003552200000000, -0.0003647700000000 ] - [ 0.0008393600000000, -0.0001992900000000, -0.0013951700000000 ] - [ -0.0004827900000000, -0.0001102800000000, 0.0007848600000000 ] - [ 0.0164179400000000, 0.0191366500000000, -0.0286799300000000 ] - [ 0.0014550800000000, -0.0007711000000000, -0.0003352100000000 ] - [ 0.0003230200000000, -0.0000431500000000, 0.0004203800000000 ] - [ 0.0000043000000000, 0.0000257900000000, 0.0004015800000000 ] - [ 0.0004333900000000, 0.0001190000000000, -0.0005700700000000 ] - [ -0.0000980600000000, -0.0004095900000000, 0.0003690700000000 ] - [ 0.0260748700000000, 0.0073482500000000, -0.1051913800000000 ] - [ -0.0000200400000000, 0.0002297300000000, 0.0001394700000000 ] - [ -0.0002073400000000, 0.0001345600000000, 0.0001129400000000 ] - [ -0.0000549000000000, 0.0000888900000000, 0.0001322500000000 ] - [ -0.0000656700000000, 0.0013363100000000, -0.0042274500000000 ] - [ 0.0001529300000000, 0.0004670600000000, -0.0005648000000000 ] - [ 0.0000501000000000, 0.0003756500000000, 0.0007964500000000 ] - [ -0.0001596800000000, 0.0000146600000000, 0.0001611800000000 ] - [ 0.0000669600000000, 0.0002273000000000, 0.0006807300000000 ] - [ 0.0022972900000000, 0.0006316000000000, -0.0013587300000000 ] - [ 0.0000955200000000, -0.0000967000000000, -0.0014588600000000 ] - [ -0.0248706000000000, 0.0029672500000000, -0.0378026400000000 ] - [ -0.0005125800000000, -0.0004221600000000, -0.0005651100000000 ] - [ 0.0015909800000000, 0.0004798900000000, -0.0005215000000000 ] - [ -0.0000566900000000, -0.0001804500000000, 0.0007342400000000 ] - [ -0.0001504500000000, -0.0001305400000000, 0.0005528700000000 ] - [ 0.0001094300000000, 0.0001709000000000, 0.0006051200000000 ] - [ 0.0004549500000000, 0.0003363100000000, -0.0012997400000000 ] - [ -0.0000668200000000, -0.0000304300000000, 0.0006019500000000 ] - [ 0.0004490500000000, 0.0005429100000000, -0.0023414400000000 ] - [ 0.0000358900000000, -0.0000836600000000, 0.0004331400000000 ] - [ -0.0000284100000000, -0.0004727000000000, 0.0007065800000000 ] - [ 0.0000567200000000, -0.0002322000000000, -0.0000679600000000 ] - [ 0.0003088900000000, -0.0002748600000000, 0.0003402800000000 ] - [ 0.0003102500000000, -0.0000942200000000, 0.0007048600000000 ] - [ 0.0012945100000000, 0.0027823900000000, -0.0007916500000000 ] - [ 0.0006925800000000, -0.0000061600000000, 0.0002169000000000 ] - [ 0.0234124600000000, -0.0362467500000000, -0.0331870500000000 ]- atom: 28 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0002790200000000, 0.0001837400000000, -0.0001435000000000 ] - [ 0.0014045200000000, -0.0004747400000000, -0.0006508900000000 ] - [ 0.0004019800000000, 0.0003378800000000, 0.0025286300000000 ] - [ -0.0022819700000000, 0.0022537200000000, -0.0001551000000000 ] - [ -0.0001373200000000, -0.0000356000000000, 0.0003243400000000 ] - [ 0.0000505900000000, -0.0002360000000000, -0.0001968600000000 ] - [ -0.0002848500000000, 0.0001889900000000, -0.0000217700000000 ] - [ 0.0000752000000000, 0.0000458400000000, 0.0002183600000000 ] - [ 0.0001327700000000, -0.0000533100000000, -0.0004009800000000 ] - [ 0.0001116200000000, -0.0000962700000000, 0.0002800800000000 ] - [ 0.0039181000000000, 0.0000843300000000, -0.0021503900000000 ] - [ 0.0025834300000000, 0.0001864400000000, -0.0002175300000000 ] - [ -0.0000059000000000, -0.0001048800000000, 0.0001879200000000 ] - [ -0.0006801800000000, 0.0040901200000000, -0.0013318600000000 ] - [ 0.0001354300000000, -0.0002654800000000, -0.0000484300000000 ] - [ -0.0000194200000000, 0.0001244100000000, 0.0001602200000000 ] - [ -0.0023024000000000, -0.0014418400000000, 0.0000048400000000 ] - [ 0.0001078300000000, -0.0000362700000000, -0.0002032800000000 ] - [ 0.0000825700000000, 0.0001866800000000, 0.0000349300000000 ] - [ 0.0004323700000000, -0.0003625100000000, 0.0020763300000000 ] - [ -0.0004553700000000, 0.0002187100000000, -0.0004169500000000 ] - [ -0.0096849400000000, -0.0216450600000000, -0.0078985200000000 ] - [ 0.0019402100000000, -0.0011099400000000, -0.0002064800000000 ] - [ -0.0004969900000000, 0.0006248800000000, 0.0003618100000000 ] - [ -0.0049738400000000, -0.0021909800000000, -0.0010305100000000 ] - [ -0.0012353400000000, -0.0015195800000000, 0.0028241600000000 ] - [ -0.0003215100000000, 0.0006783500000000, -0.0010850100000000 ] - [ -0.2191162100000000, 0.0283981200000000, 0.0105045700000000 ] - [ -0.0007798300000000, -0.0006163900000000, 0.0004539400000000 ] - [ -0.0002595600000000, -0.0003133300000000, 0.0000686500000000 ] - [ 0.0016683700000000, -0.0019767500000000, 0.0013889400000000 ] - [ 0.0009291000000000, -0.0009798700000000, -0.0002925500000000 ] - [ 0.0002052900000000, 0.0002545500000000, -0.0001564600000000 ] - [ 0.0011255300000000, 0.0003018600000000, 0.0003956300000000 ] - [ -0.0000735600000000, -0.0002735000000000, -0.0003834200000000 ] - [ -0.0013967200000000, -0.0000592800000000, 0.0027622700000000 ] - [ -0.0001150800000000, 0.0000494600000000, 0.0000122300000000 ] - [ -0.0000995000000000, -0.0001352100000000, 0.0001179700000000 ] - [ 0.0005882800000000, 0.0002433400000000, 0.0001693300000000 ] - [ 0.0000510100000000, -0.0001064800000000, 0.0000692200000000 ] - [ -0.0006508700000000, -0.0001577400000000, 0.0001361100000000 ] - [ 0.0000242300000000, 0.0001290300000000, -0.0000214000000000 ] - [ 0.1023074200000000, -0.0034254900000000, 0.0430540100000000 ] - [ 0.0002376100000000, 0.0000311400000000, -0.0000852900000000 ] - [ 0.0002765600000000, -0.0001466400000000, 0.0002328000000000 ] - [ 0.0001274100000000, 0.0000355900000000, 0.0007402900000000 ] - [ -0.0008296300000000, 0.0001850300000000, 0.0001119800000000 ] - [ -0.0011353300000000, 0.0008142300000000, 0.0000774200000000 ] - [ 0.0482865800000000, -0.0505243800000000, -0.0153218800000000 ] - [ -0.0001189400000000, 0.0002434500000000, 0.0002240800000000 ] - [ 0.0007890000000000, 0.0014884500000000, 0.0006861500000000 ] - [ 0.0011886100000000, -0.0002470600000000, -0.0001568800000000 ] - [ -0.0001824100000000, 0.0000638700000000, -0.0001216300000000 ] - [ -0.0011035500000000, -0.0001672100000000, 0.0001554300000000 ] - [ -0.0003662700000000, 0.0004674500000000, -0.0001572100000000 ] - [ 0.0002860500000000, -0.0001107300000000, 0.0001640200000000 ] - [ 0.0018640100000000, 0.0007191200000000, -0.0026969400000000 ] - [ 0.0001744900000000, 0.0002092600000000, -0.0001346700000000 ] - [ -0.0009328500000000, 0.0001291400000000, -0.0000254000000000 ] - [ 0.0000749400000000, -0.0001080800000000, -0.0002719900000000 ] - [ 0.0226380900000000, -0.0002097600000000, -0.0173249800000000 ] - [ -0.0004037700000000, 0.0001378200000000, 0.0000047800000000 ] - [ 0.0001404800000000, 0.0001717400000000, 0.0002614800000000 ] - [ -0.0009954400000000, -0.0002285700000000, -0.0001952500000000 ] - [ 0.0005753500000000, -0.0001730000000000, -0.0002791400000000 ] - [ 0.0040242600000000, 0.0009439600000000, 0.0010547700000000 ] - [ -0.0007440900000000, 0.0008406500000000, 0.0006068800000000 ] - [ 0.0002108200000000, 0.0002265100000000, -0.0005998100000000 ] - [ -0.0011113300000000, 0.0001421500000000, -0.0001872600000000 ] - [ -0.0001306700000000, 0.0025369600000000, -0.0005016000000000 ] - [ 0.0009507400000000, -0.0003376600000000, -0.0017914700000000 ] - [ 0.0004399000000000, -0.0001169600000000, -0.0003445500000000 ] - [ -0.0002926700000000, -0.0001373200000000, -0.0008892400000000 ] - [ 0.0000397300000000, 0.0001374100000000, 0.0001342700000000 ] - [ 0.0000868400000000, -0.0001023700000000, 0.0003065400000000 ] - [ -0.0008625600000000, 0.0016133800000000, -0.0001543900000000 ] - [ -0.0001020700000000, -0.0001299200000000, -0.0001404100000000 ] - [ 0.0002651500000000, -0.0001648900000000, 0.0006788500000000 ] - [ -0.0001235100000000, 0.0002529800000000, -0.0003396100000000 ] - [ 0.0001421400000000, -0.0002267900000000, -0.0001184600000000 ] - [ 0.0006850300000000, -0.0002929400000000, 0.0007993100000000 ] - [ 0.0511324900000000, 0.0411552000000000, -0.0144927700000000 ] - [ 0.0006804800000000, 0.0001859100000000, -0.0002557900000000 ] - [ 0.0009348400000000, -0.0002711200000000, -0.0007750400000000 ]- atom: 28 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0003359900000000, -0.0000206600000000, -0.0001693200000000 ] - [ -0.0013896700000000, 0.0003132000000000, 0.0005549200000000 ] - [ -0.0004034500000000, -0.0001838000000000, -0.0024484000000000 ] - [ 0.0026404100000000, -0.0020223200000000, -0.0000644800000000 ] - [ -0.0004845900000000, 0.0001963500000000, -0.0000051300000000 ] - [ 0.0003173100000000, 0.0000180900000000, -0.0000322500000000 ] - [ 0.0000378000000000, 0.0002368000000000, 0.0001786100000000 ] - [ -0.0004445500000000, -0.0002628000000000, 0.0000095100000000 ] - [ -0.0001063900000000, 0.0000507500000000, 0.0000381200000000 ] - [ -0.0004805900000000, 0.0003133000000000, -0.0000505100000000 ] - [ -0.0039758000000000, -0.0000875900000000, 0.0025397600000000 ] - [ -0.0023376700000000, 0.0002365400000000, 0.0000664100000000 ] - [ -0.0000198300000000, 0.0001077300000000, 0.0001759500000000 ] - [ 0.0004324600000000, -0.0044850100000000, 0.0014609700000000 ] - [ 0.0001109400000000, -0.0001604600000000, -0.0001078000000000 ] - [ -0.0006022400000000, -0.0002851400000000, 0.0001602900000000 ] - [ 0.0029137500000000, 0.0012735900000000, -0.0003130100000000 ] - [ -0.0001108300000000, -0.0001261000000000, 0.0002914300000000 ] - [ -0.0000780700000000, -0.0000241500000000, -0.0001220600000000 ] - [ -0.0003997500000000, 0.0003700500000000, -0.0024423100000000 ] - [ 0.0013741700000000, -0.0004161500000000, 0.0003595000000000 ] - [ 0.0104874400000000, 0.0218165400000000, 0.0077716900000000 ] - [ -0.0028539200000000, 0.0009134900000000, 0.0002668600000000 ] - [ -0.0004231900000000, -0.0004284600000000, -0.0002999300000000 ] - [ 0.0053577400000000, 0.0026762500000000, 0.0002177600000000 ] - [ 0.0013376300000000, 0.0010593400000000, -0.0031929900000000 ] - [ 0.0004086700000000, -0.0002147700000000, 0.0007148400000000 ] - [ 0.2158114900000000, -0.0281347900000000, -0.0140520500000000 ] - [ 0.0006950300000000, 0.0001561100000000, -0.0000826600000000 ] - [ -0.0003929800000000, -0.0003511500000000, -0.0000483100000000 ] - [ -0.0020404700000000, 0.0014726200000000, -0.0005834100000000 ] - [ -0.0015817500000000, 0.0016593200000000, 0.0003193500000000 ] - [ 0.0004448800000000, 0.0004099300000000, 0.0001346400000000 ] - [ -0.0012093000000000, 0.0001599100000000, -0.0000240700000000 ] - [ 0.0004558600000000, -0.0002176100000000, -0.0004235200000000 ] - [ 0.0010056100000000, 0.0005534700000000, -0.0019380000000000 ] - [ 0.0001165800000000, 0.0001105600000000, -0.0000276400000000 ] - [ -0.0001593500000000, -0.0002007700000000, -0.0000291600000000 ] - [ -0.0004770900000000, -0.0005767300000000, 0.0002819700000000 ] - [ -0.0000521300000000, -0.0000520300000000, -0.0000538000000000 ] - [ 0.0007901800000000, 0.0004487200000000, 0.0002661200000000 ] - [ 0.0002345400000000, 0.0002061100000000, -0.0000666200000000 ] - [ -0.0972407500000000, 0.0028133700000000, -0.0403627400000000 ] - [ -0.0000822600000000, -0.0000012700000000, -0.0000673900000000 ] - [ -0.0001376300000000, -0.0001421400000000, 0.0001698700000000 ] - [ -0.0001466700000000, -0.0001686100000000, -0.0008911100000000 ] - [ 0.0008283200000000, -0.0003487300000000, -0.0001277000000000 ] - [ 0.0014018400000000, -0.0011594800000000, -0.0001676800000000 ] - [ -0.0487200200000000, 0.0520591200000000, 0.0158057200000000 ] - [ -0.0002863700000000, 0.0001044000000000, -0.0000649300000000 ] - [ -0.0002229900000000, -0.0015139500000000, -0.0006693800000000 ] - [ -0.0010705500000000, -0.0002088100000000, -0.0000428000000000 ] - [ -0.0000214200000000, 0.0001407000000000, -0.0000455800000000 ] - [ 0.0011186100000000, 0.0000375300000000, -0.0000034200000000 ] - [ 0.0007726200000000, -0.0001228200000000, -0.0000053400000000 ] - [ -0.0000787500000000, -0.0000941400000000, 0.0000041200000000 ] - [ -0.0020026200000000, -0.0010015500000000, 0.0022915300000000 ] - [ -0.0000551900000000, 0.0002361500000000, -0.0000655900000000 ] - [ 0.0005895300000000, -0.0002752400000000, -0.0002315300000000 ] - [ -0.0002020400000000, -0.0001015600000000, -0.0002008700000000 ] - [ -0.0231692700000000, -0.0001231300000000, 0.0177471100000000 ] - [ 0.0002479700000000, -0.0001069700000000, 0.0001464400000000 ] - [ -0.0000269700000000, 0.0001628200000000, 0.0001860800000000 ] - [ 0.0004218600000000, 0.0002473100000000, 0.0001803000000000 ] - [ -0.0004472800000000, 0.0003810700000000, 0.0007516600000000 ] - [ -0.0038751000000000, -0.0009722200000000, -0.0012001300000000 ] - [ 0.0006295500000000, -0.0005033300000000, -0.0010504900000000 ] - [ -0.0002323500000000, -0.0000950400000000, 0.0004477700000000 ] - [ 0.0009056800000000, -0.0003511600000000, 0.0000183600000000 ] - [ -0.0000113700000000, -0.0023213200000000, 0.0000373800000000 ] - [ -0.0010647900000000, -0.0000019100000000, 0.0013160400000000 ] - [ -0.0005577200000000, -0.0003290500000000, 0.0005420500000000 ] - [ 0.0001389300000000, 0.0001064300000000, 0.0010389200000000 ] - [ 0.0000835000000000, -0.0003436700000000, 0.0003403900000000 ] - [ -0.0002277300000000, 0.0003913100000000, -0.0007120900000000 ] - [ 0.0007269400000000, -0.0011467600000000, 0.0003669000000000 ] - [ -0.0004709400000000, 0.0001113500000000, 0.0001283000000000 ] - [ 0.0000790900000000, 0.0000175700000000, -0.0004220200000000 ] - [ -0.0002210700000000, -0.0001061600000000, 0.0000835000000000 ] - [ 0.0002644500000000, -0.0001199300000000, -0.0000423700000000 ] - [ -0.0001120800000000, 0.0003092300000000, -0.0007894400000000 ] - [ -0.0515548500000000, -0.0423231700000000, 0.0148917600000000 ] - [ -0.0006633700000000, -0.0000558700000000, 0.0004091600000000 ] - [ -0.0005915800000000, 0.0004113500000000, 0.0010280000000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001771000000000, 0.0002694400000000, 0.0002393100000000 ] - [ -0.0011129500000000, 0.0035714900000000, 0.0006630600000000 ] - [ 0.0009999600000000, -0.0001438600000000, 0.0026663700000000 ] - [ 0.0030062600000000, 0.0006217400000000, 0.0026415200000000 ] - [ -0.0004298200000000, 0.0002507000000000, 0.0000555100000000 ] - [ 0.0002587300000000, -0.0000760400000000, -0.0000753600000000 ] - [ -0.0000107900000000, 0.0003015500000000, 0.0002118200000000 ] - [ -0.0003186900000000, -0.0003143900000000, 0.0000088600000000 ] - [ -0.0001417600000000, 0.0002375700000000, -0.0001330600000000 ] - [ -0.0002043100000000, 0.0001236500000000, 0.0000628300000000 ] - [ -0.0007527200000000, -0.0046113200000000, 0.0003504700000000 ] - [ -0.0006595800000000, 0.0002089800000000, 0.0000561600000000 ] - [ -0.0000638200000000, 0.0000211000000000, 0.0002765900000000 ] - [ 0.0045260500000000, 0.0026784500000000, -0.0027101100000000 ] - [ 0.0001415100000000, -0.0001903800000000, -0.0000319200000000 ] - [ -0.0003645100000000, -0.0000672500000000, 0.0001603400000000 ] - [ -0.0009999600000000, -0.0002075700000000, -0.0028538600000000 ] - [ -0.0001057700000000, -0.0003241600000000, 0.0000671800000000 ] - [ 0.0000023800000000, 0.0000629000000000, -0.0000153700000000 ] - [ -0.0007143700000000, 0.0007632700000000, -0.0038929000000000 ] - [ 0.0010511900000000, -0.0005687100000000, 0.0005983400000000 ] - [ -0.0188538600000000, 0.0162394200000000, 0.0123895500000000 ] - [ -0.0005281700000000, 0.0010864400000000, 0.0000565200000000 ] - [ -0.0003158100000000, -0.0000175300000000, 0.0000769600000000 ] - [ -0.0012794200000000, -0.0005934300000000, -0.0008378500000000 ] - [ -0.0010301000000000, -0.0010843300000000, 0.0015599800000000 ] - [ 0.0003252500000000, -0.0002618300000000, 0.0011437000000000 ] - [ 0.0315089400000000, -0.2702265400000000, -0.0180523400000000 ] - [ 0.0000534300000000, -0.0005901200000000, 0.0002800800000000 ] - [ -0.0003448500000000, -0.0002562300000000, 0.0000616900000000 ] - [ -0.0008611100000000, 0.0002266200000000, 0.0005246600000000 ] - [ -0.0016492500000000, 0.0015301600000000, 0.0001229600000000 ] - [ 0.0004033300000000, 0.0004255900000000, -0.0000059600000000 ] - [ 0.0007345400000000, -0.0001599900000000, -0.0001332100000000 ] - [ 0.0003457900000000, -0.0002049800000000, -0.0002362500000000 ] - [ 0.0000931400000000, 0.0000650700000000, 0.0001947100000000 ] - [ 0.0000577300000000, 0.0000475300000000, -0.0000487300000000 ] - [ -0.0001065500000000, -0.0001656100000000, -0.0000185500000000 ] - [ 0.0001784300000000, -0.0006425300000000, 0.0004327900000000 ] - [ 0.0000000000000000, -0.0000236000000000, -0.0000613500000000 ] - [ -0.0007968000000000, -0.0001398000000000, 0.0006893000000000 ] - [ 0.0001453900000000, 0.0001362700000000, -0.0000540100000000 ] - [ -0.0092237800000000, 0.0215320500000000, -0.0045629900000000 ] - [ -0.0000089100000000, -0.0000138700000000, -0.0001561000000000 ] - [ -0.0000029100000000, -0.0000438100000000, 0.0000501100000000 ] - [ 0.0002703000000000, -0.0000159500000000, -0.0009592200000000 ] - [ 0.0008383100000000, -0.0007589900000000, 0.0000693000000000 ] - [ 0.0019700900000000, -0.0003095500000000, 0.0003170900000000 ] - [ -0.0531449900000000, 0.1227851000000000, 0.0303567300000000 ] - [ -0.0002273700000000, 0.0001595700000000, 0.0000424800000000 ] - [ 0.0004500900000000, 0.0018919200000000, -0.0001874600000000 ] - [ 0.0005160100000000, -0.0001924300000000, -0.0001523500000000 ] - [ -0.0000984200000000, 0.0000853900000000, -0.0001009900000000 ] - [ -0.0009559900000000, -0.0002163300000000, 0.0002303900000000 ] - [ 0.0008893300000000, -0.0001152400000000, -0.0001364900000000 ] - [ 0.0000456300000000, -0.0000663400000000, -0.0000110100000000 ] - [ -0.0004330900000000, -0.0025887100000000, -0.0013717300000000 ] - [ 0.0000115300000000, 0.0002291900000000, -0.0001476200000000 ] - [ -0.0001209400000000, 0.0003438700000000, -0.0001124700000000 ] - [ -0.0001543200000000, -0.0001006600000000, -0.0003077600000000 ] - [ -0.0012774400000000, 0.0202024000000000, 0.0045881600000000 ] - [ 0.0001115200000000, -0.0001660700000000, 0.0003181100000000 ] - [ 0.0000671300000000, 0.0001827600000000, 0.0000483700000000 ] - [ -0.0006071900000000, -0.0004386600000000, 0.0000715100000000 ] - [ -0.0001751700000000, 0.0002630900000000, 0.0002549400000000 ] - [ 0.0009486500000000, -0.0020719000000000, 0.0010199900000000 ] - [ 0.0001335000000000, -0.0000345400000000, -0.0005906800000000 ] - [ -0.0000820300000000, -0.0003782800000000, -0.0003262800000000 ] - [ 0.0004451100000000, -0.0003826200000000, -0.0000429200000000 ] - [ -0.0009282900000000, 0.0017816100000000, 0.0000224700000000 ] - [ -0.0004965400000000, 0.0003126100000000, -0.0001544200000000 ] - [ -0.0002026400000000, 0.0000211800000000, 0.0003763900000000 ] - [ -0.0000737500000000, 0.0000374300000000, 0.0002609400000000 ] - [ 0.0011990600000000, -0.0012157000000000, -0.0000010900000000 ] - [ -0.0002165100000000, 0.0003524900000000, -0.0007115600000000 ] - [ 0.0007006600000000, 0.0002736800000000, -0.0003412900000000 ] - [ -0.0003742300000000, 0.0001678400000000, 0.0000775400000000 ] - [ 0.0003471700000000, -0.0003078500000000, -0.0008382400000000 ] - [ -0.0002774400000000, 0.0003019500000000, -0.0004165700000000 ] - [ 0.0002127100000000, -0.0002055200000000, -0.0001478700000000 ] - [ 0.0000283400000000, 0.0006310200000000, -0.0010381900000000 ] - [ 0.0473083300000000, 0.0894531900000000, -0.0218529500000000 ] - [ -0.0001878300000000, 0.0004543100000000, 0.0002242900000000 ] - [ 0.0004121000000000, 0.0001625900000000, -0.0000909700000000 ]- atom: 28 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004390700000000, -0.0001065300000000, -0.0005482000000000 ] - [ 0.0011199900000000, -0.0037318000000000, -0.0007570200000000 ] - [ -0.0010016100000000, 0.0003130200000000, -0.0025949400000000 ] - [ -0.0026252200000000, -0.0004020300000000, -0.0028555300000000 ] - [ -0.0001930300000000, -0.0000872900000000, 0.0002633300000000 ] - [ 0.0001126100000000, -0.0001399700000000, -0.0001538000000000 ] - [ -0.0002355200000000, 0.0001243300000000, -0.0000545600000000 ] - [ -0.0000540000000000, 0.0000959200000000, 0.0002193500000000 ] - [ 0.0001674800000000, -0.0002396100000000, -0.0002284900000000 ] - [ -0.0001672000000000, 0.0000947000000000, 0.0001659000000000 ] - [ 0.0007180200000000, 0.0046104700000000, 0.0000180100000000 ] - [ 0.0008920200000000, 0.0002148500000000, -0.0002127300000000 ] - [ 0.0000378600000000, -0.0000171100000000, 0.0000864300000000 ] - [ -0.0047220600000000, -0.0030785500000000, 0.0028373700000000 ] - [ 0.0001046300000000, -0.0002347000000000, -0.0001244500000000 ] - [ -0.0002580400000000, -0.0000955700000000, 0.0001600400000000 ] - [ 0.0016337300000000, 0.0000483200000000, 0.0025437000000000 ] - [ 0.0001048200000000, 0.0001608700000000, 0.0000216100000000 ] - [ -0.0000022300000000, 0.0000997900000000, -0.0000724200000000 ] - [ 0.0007346600000000, -0.0007591400000000, 0.0035117100000000 ] - [ -0.0001247500000000, 0.0003683000000000, -0.0006541500000000 ] - [ 0.0200306900000000, -0.0161879500000000, -0.0125972800000000 ] - [ -0.0004003700000000, -0.0012770700000000, -0.0000025200000000 ] - [ -0.0006069800000000, 0.0002113300000000, -0.0000170300000000 ] - [ 0.0016857900000000, 0.0010948000000000, 0.0000336800000000 ] - [ 0.0011268200000000, 0.0006384700000000, -0.0019534900000000 ] - [ -0.0002327300000000, 0.0007257300000000, -0.0015092100000000 ] - [ -0.0248695200000000, 0.2681460100000000, 0.0148246100000000 ] - [ -0.0001345300000000, 0.0001311300000000, 0.0000894900000000 ] - [ -0.0003089500000000, -0.0004087900000000, -0.0000415000000000 ] - [ 0.0004668900000000, -0.0006974800000000, 0.0002853500000000 ] - [ 0.0009878200000000, -0.0008451700000000, -0.0000963400000000 ] - [ 0.0002489400000000, 0.0002413900000000, -0.0000156000000000 ] - [ -0.0008276500000000, 0.0006208200000000, 0.0005026200000000 ] - [ 0.0000385100000000, -0.0002857800000000, -0.0005691100000000 ] - [ -0.0004737200000000, 0.0004303600000000, 0.0006051400000000 ] - [ -0.0000550300000000, 0.0001138300000000, 0.0000330600000000 ] - [ -0.0001527200000000, -0.0001695900000000, 0.0001069600000000 ] - [ -0.0000702800000000, 0.0003070400000000, 0.0000166800000000 ] - [ -0.0000019600000000, -0.0001356900000000, 0.0000765600000000 ] - [ 0.0009431800000000, 0.0004343900000000, -0.0002866400000000 ] - [ 0.0001139900000000, 0.0001980500000000, -0.0000338100000000 ] - [ 0.0091503300000000, -0.0211987600000000, 0.0046194700000000 ] - [ 0.0001633200000000, 0.0000435300000000, 0.0000020400000000 ] - [ 0.0001401000000000, -0.0002441200000000, 0.0003533400000000 ] - [ -0.0002917100000000, -0.0001191100000000, 0.0008017800000000 ] - [ -0.0008338900000000, 0.0005933900000000, -0.0000855900000000 ] - [ -0.0016940700000000, -0.0000347400000000, -0.0004037400000000 ] - [ 0.0496697600000000, -0.1170138700000000, -0.0284118000000000 ] - [ -0.0001788900000000, 0.0001877300000000, 0.0001168600000000 ] - [ 0.0001068300000000, -0.0019148100000000, 0.0002073900000000 ] - [ -0.0004020600000000, -0.0002563300000000, -0.0000502600000000 ] - [ -0.0001035500000000, 0.0001198000000000, -0.0000654600000000 ] - [ 0.0009816300000000, 0.0000894300000000, -0.0000792500000000 ] - [ -0.0004800600000000, 0.0004578500000000, -0.0000242900000000 ] - [ 0.0001590400000000, -0.0001386500000000, 0.0001781300000000 ] - [ 0.0002763200000000, 0.0022958200000000, 0.0009928400000000 ] - [ 0.0001083200000000, 0.0002149900000000, -0.0000538400000000 ] - [ -0.0002162300000000, -0.0004902600000000, -0.0001463800000000 ] - [ 0.0000266400000000, -0.0001076100000000, -0.0001659800000000 ] - [ 0.0007823100000000, -0.0204733700000000, -0.0040108200000000 ] - [ -0.0002583100000000, 0.0001896400000000, -0.0001621800000000 ] - [ 0.0000458500000000, 0.0001520800000000, 0.0003968500000000 ] - [ 0.0000397900000000, 0.0004601200000000, -0.0000861900000000 ] - [ 0.0003003300000000, -0.0000542600000000, 0.0002213000000000 ] - [ -0.0008195400000000, 0.0020369900000000, -0.0011716900000000 ] - [ -0.0002420500000000, 0.0003643700000000, 0.0001394100000000 ] - [ 0.0000624200000000, 0.0005078100000000, 0.0001785500000000 ] - [ -0.0006431500000000, 0.0001739600000000, -0.0001240200000000 ] - [ 0.0007907100000000, -0.0015757900000000, -0.0004900400000000 ] - [ 0.0003794400000000, -0.0006469000000000, -0.0002915300000000 ] - [ 0.0000804200000000, -0.0004658500000000, -0.0001739300000000 ] - [ -0.0000801000000000, -0.0000664000000000, -0.0001034100000000 ] - [ -0.0010664400000000, 0.0009998100000000, 0.0004750200000000 ] - [ 0.0000752200000000, -0.0000626200000000, 0.0003034300000000 ] - [ -0.0008134900000000, 0.0001544800000000, 0.0005343700000000 ] - [ -0.0001983000000000, -0.0001857800000000, -0.0000903600000000 ] - [ -0.0000055000000000, 0.0001590400000000, 0.0010936000000000 ] - [ -0.0000657700000000, -0.0001546600000000, 0.0001606700000000 ] - [ 0.0001946600000000, -0.0001405500000000, -0.0000132400000000 ] - [ 0.0005405900000000, -0.0006125100000000, 0.0010432600000000 ] - [ -0.0499983600000000, -0.0934244000000000, 0.0230775600000000 ] - [ 0.0002005800000000, -0.0003228700000000, -0.0000712900000000 ] - [ -0.0000725200000000, -0.0000207600000000, 0.0003566400000000 ]- atom: 28 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ -0.0008805200000000, 0.0003532100000000, 0.0018234000000000 ] - [ -0.0005822800000000, 0.0003058500000000, 0.0006849000000000 ] - [ 0.0022198100000000, 0.0020724600000000, -0.0009799200000000 ] - [ 0.0011165800000000, 0.0014934800000000, 0.0018998600000000 ] - [ -0.0002800900000000, 0.0001943500000000, -0.0000793100000000 ] - [ -0.0001097700000000, -0.0000058500000000, 0.0002467600000000 ] - [ -0.0000594300000000, 0.0002602000000000, 0.0003822000000000 ] - [ -0.0002853000000000, -0.0003070900000000, -0.0001393500000000 ] - [ -0.0000907900000000, 0.0000627900000000, 0.0001386600000000 ] - [ -0.0001666700000000, 0.0001218200000000, 0.0003972600000000 ] - [ -0.0029184100000000, -0.0001767400000000, 0.0016049800000000 ] - [ 0.0009919700000000, 0.0001075300000000, -0.0003963400000000 ] - [ 0.0000281000000000, 0.0001826200000000, 0.0006557800000000 ] - [ -0.0015251500000000, -0.0036969400000000, -0.0023683500000000 ] - [ 0.0002187700000000, -0.0001683700000000, 0.0001630900000000 ] - [ -0.0002718400000000, -0.0001026900000000, 0.0004716300000000 ] - [ 0.0010960200000000, -0.0013830600000000, 0.0021516900000000 ] - [ -0.0000717700000000, -0.0001342000000000, 0.0004318000000000 ] - [ 0.0000343600000000, -0.0001073900000000, 0.0003732500000000 ] - [ 0.0016894300000000, -0.0022099700000000, -0.0021169400000000 ] - [ 0.0007011400000000, -0.0003957300000000, 0.0014435900000000 ] - [ -0.0050786100000000, 0.0183203900000000, -0.0173864200000000 ] - [ -0.0004164400000000, 0.0005994500000000, -0.0018816000000000 ] - [ 0.0000119800000000, -0.0002694900000000, 0.0010843600000000 ] - [ 0.0001721700000000, 0.0002833600000000, 0.0001299300000000 ] - [ 0.0037020000000000, 0.0016213100000000, -0.0059271000000000 ] - [ -0.0001021300000000, 0.0003210500000000, 0.0005879100000000 ] - [ 0.0556356500000000, -0.0220418000000000, -0.2019262600000000 ] - [ 0.0023401000000000, -0.0000140700000000, 0.0013014400000000 ] - [ -0.0002820500000000, -0.0003775400000000, 0.0003623500000000 ] - [ -0.0002464700000000, 0.0017874500000000, 0.0016123800000000 ] - [ -0.0008845100000000, 0.0007031100000000, -0.0002330000000000 ] - [ 0.0002131300000000, 0.0003355000000000, 0.0006192500000000 ] - [ -0.0000779500000000, 0.0000199700000000, 0.0000743300000000 ] - [ 0.0003603800000000, -0.0001019800000000, 0.0002907000000000 ] - [ 0.0002650700000000, 0.0005217200000000, 0.0013149800000000 ] - [ 0.0000710900000000, 0.0001090300000000, -0.0002382000000000 ] - [ -0.0000134500000000, -0.0000424100000000, -0.0002893900000000 ] - [ -0.0000806200000000, -0.0001954000000000, 0.0001753000000000 ] - [ 0.0001670700000000, -0.0001518300000000, -0.0004238200000000 ] - [ 0.0003648000000000, 0.0004308000000000, 0.0003474100000000 ] - [ 0.0001825600000000, 0.0002723200000000, -0.0002808000000000 ] - [ 0.0158275100000000, -0.0000532800000000, 0.0314654300000000 ] - [ 0.0000493900000000, -0.0000866300000000, -0.0003840800000000 ] - [ -0.0004729000000000, 0.0001026100000000, -0.0009295700000000 ] - [ -0.0000819400000000, -0.0001739500000000, -0.0006453300000000 ] - [ 0.0002481100000000, -0.0003536100000000, 0.0002936100000000 ] - [ 0.0006776900000000, -0.0002365300000000, 0.0004682600000000 ] - [ -0.0254579000000000, 0.0400080500000000, 0.0331745100000000 ] - [ -0.0001415200000000, 0.0001714600000000, -0.0005165200000000 ] - [ -0.0008544200000000, -0.0029428700000000, 0.0006271300000000 ] - [ -0.0003726600000000, -0.0000683600000000, 0.0001287000000000 ] - [ -0.0002195700000000, 0.0002107000000000, -0.0003813100000000 ] - [ 0.0002241000000000, 0.0000393900000000, 0.0000424000000000 ] - [ 0.0003711600000000, -0.0000534700000000, 0.0003729700000000 ] - [ 0.0000791200000000, -0.0000487900000000, -0.0003687000000000 ] - [ -0.0013197900000000, -0.0003491900000000, 0.0044073200000000 ] - [ 0.0000028400000000, 0.0002824000000000, -0.0003434800000000 ] - [ -0.0000158900000000, 0.0000937600000000, -0.0003197100000000 ] - [ -0.0001749800000000, -0.0001866600000000, -0.0005043000000000 ] - [ -0.0158670600000000, -0.0039340900000000, 0.1193925600000000 ] - [ 0.0015530400000000, -0.0012297800000000, 0.0011491000000000 ] - [ 0.0001678000000000, 0.0002188700000000, -0.0003414700000000 ] - [ -0.0001415900000000, 0.0001471500000000, 0.0000681100000000 ] - [ -0.0001097300000000, 0.0000003000000000, -0.0000975000000000 ] - [ -0.0010474800000000, -0.0009649100000000, 0.0010705200000000 ] - [ 0.0000152600000000, 0.0000940900000000, 0.0001062800000000 ] - [ -0.0006701800000000, -0.0002213200000000, 0.0003790100000000 ] - [ 0.0003602000000000, -0.0001826800000000, 0.0003532400000000 ] - [ 0.0002533100000000, 0.0001409800000000, 0.0000248500000000 ] - [ -0.0004592900000000, -0.0001954200000000, -0.0008357700000000 ] - [ -0.0001108700000000, -0.0002796900000000, -0.0002694000000000 ] - [ -0.0003637700000000, -0.0001777100000000, -0.0002031500000000 ] - [ 0.0002845600000000, -0.0005955800000000, 0.0006322200000000 ] - [ -0.0000484800000000, 0.0001963900000000, -0.0009836200000000 ] - [ -0.0008560100000000, -0.0012933900000000, -0.0006011500000000 ] - [ -0.0009754500000000, 0.0004083700000000, -0.0003551700000000 ] - [ 0.0003648600000000, -0.0000406900000000, -0.0003331200000000 ] - [ -0.0007047100000000, -0.0001805700000000, -0.0003274800000000 ] - [ 0.0002081200000000, -0.0001574300000000, -0.0004447500000000 ] - [ 0.0003556200000000, -0.0001280800000000, -0.0011693100000000 ] - [ -0.0247782600000000, -0.0272436100000000, 0.0290188700000000 ] - [ -0.0018881400000000, 0.0000094400000000, -0.0005496300000000 ] - [ -0.0010680100000000, 0.0006571100000000, 0.0016270500000000 ]- atom: 28 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0014897800000000, -0.0001845700000000, -0.0021402000000000 ] - [ 0.0005977100000000, -0.0004654100000000, -0.0007836200000000 ] - [ -0.0022507300000000, -0.0019264600000000, 0.0010690500000000 ] - [ -0.0007397700000000, -0.0012655300000000, -0.0021300000000000 ] - [ -0.0003344900000000, -0.0000270800000000, 0.0003974400000000 ] - [ 0.0004819300000000, -0.0002117400000000, -0.0004801500000000 ] - [ -0.0001854900000000, 0.0001720800000000, -0.0002309900000000 ] - [ -0.0000835700000000, 0.0000916100000000, 0.0003701300000000 ] - [ 0.0001181300000000, -0.0000647600000000, -0.0005019900000000 ] - [ -0.0002026800000000, 0.0000952700000000, -0.0001710300000000 ] - [ 0.0028727600000000, 0.0001729400000000, -0.0012451500000000 ] - [ -0.0007542300000000, 0.0003250000000000, 0.0002506800000000 ] - [ -0.0000549600000000, -0.0001808800000000, -0.0002984600000000 ] - [ 0.0012910100000000, 0.0032770000000000, 0.0025504300000000 ] - [ 0.0000253500000000, -0.0002643900000000, -0.0003184800000000 ] - [ -0.0003424400000000, -0.0000652300000000, -0.0001577100000000 ] - [ -0.0004754600000000, 0.0011988600000000, -0.0024619200000000 ] - [ 0.0000647200000000, -0.0000267500000000, -0.0003444900000000 ] - [ -0.0000280500000000, 0.0002686200000000, -0.0004673400000000 ] - [ -0.0016840300000000, 0.0022322800000000, 0.0017579200000000 ] - [ 0.0002177600000000, 0.0001981900000000, -0.0015183600000000 ] - [ 0.0059664400000000, -0.0180922300000000, 0.0175102000000000 ] - [ -0.0005050200000000, -0.0007942000000000, 0.0019701100000000 ] - [ -0.0009324500000000, 0.0004667100000000, -0.0010227400000000 ] - [ 0.0002183800000000, 0.0002104300000000, -0.0009551800000000 ] - [ -0.0036277400000000, -0.0020713000000000, 0.0055836200000000 ] - [ 0.0001858600000000, 0.0001331100000000, -0.0009522100000000 ] - [ -0.0557621700000000, 0.0216846900000000, 0.2093685800000000 ] - [ -0.0024464800000000, -0.0004310700000000, -0.0009512900000000 ] - [ -0.0003714700000000, -0.0002784700000000, -0.0003554800000000 ] - [ -0.0001108600000000, -0.0023147300000000, -0.0008133800000000 ] - [ 0.0002324000000000, -0.0000414500000000, 0.0002496600000000 ] - [ 0.0004408600000000, 0.0003232400000000, -0.0006339300000000 ] - [ -0.0000080900000000, 0.0004271700000000, 0.0002848200000000 ] - [ 0.0000170000000000, -0.0003896000000000, -0.0011053200000000 ] - [ -0.0006453800000000, -0.0000305900000000, -0.0005135100000000 ] - [ -0.0000595800000000, 0.0000576600000000, 0.0002231700000000 ] - [ -0.0002498500000000, -0.0003050500000000, 0.0003791500000000 ] - [ 0.0001940700000000, -0.0001395000000000, 0.0002656400000000 ] - [ -0.0001795700000000, -0.0000141300000000, 0.0004427700000000 ] - [ -0.0002155000000000, -0.0001261800000000, 0.0000584500000000 ] - [ 0.0000795000000000, 0.0000718900000000, 0.0001957800000000 ] - [ -0.0156038700000000, 0.0002871300000000, -0.0314909100000000 ] - [ 0.0001280400000000, 0.0001315900000000, 0.0002558300000000 ] - [ 0.0006291600000000, -0.0004098300000000, 0.0013445500000000 ] - [ 0.0000459100000000, 0.0000364800000000, 0.0004873100000000 ] - [ -0.0002358100000000, 0.0001860500000000, -0.0003152200000000 ] - [ -0.0004125700000000, -0.0001129700000000, -0.0005611400000000 ] - [ 0.0250196500000000, -0.0391900500000000, -0.0333288300000000 ] - [ -0.0002722100000000, 0.0001640400000000, 0.0006720700000000 ] - [ 0.0014115300000000, 0.0029394700000000, -0.0006187200000000 ] - [ 0.0004635200000000, -0.0003761500000000, -0.0003181300000000 ] - [ 0.0000198700000000, 0.0000020300000000, 0.0002143900000000 ] - [ -0.0001875600000000, -0.0001741800000000, 0.0001210400000000 ] - [ 0.0000428900000000, 0.0003875200000000, -0.0005312400000000 ] - [ 0.0001235000000000, -0.0001660500000000, 0.0005409800000000 ] - [ 0.0011620900000000, 0.0000505000000000, -0.0048260100000000 ] - [ 0.0000859200000000, 0.0001570000000000, 0.0001564900000000 ] - [ -0.0003444400000000, -0.0002182000000000, 0.0000704400000000 ] - [ 0.0000336500000000, -0.0000058800000000, 0.0000490900000000 ] - [ 0.0166455300000000, 0.0030680700000000, -0.1263124700000000 ] - [ -0.0017348800000000, 0.0012806100000000, -0.0010237400000000 ] - [ -0.0000516000000000, 0.0001157400000000, 0.0007820400000000 ] - [ -0.0004324000000000, -0.0001275200000000, -0.0000647300000000 ] - [ 0.0002509900000000, 0.0001937400000000, 0.0005586000000000 ] - [ 0.0012287000000000, 0.0009271300000000, -0.0012070100000000 ] - [ -0.0001347100000000, 0.0002427500000000, -0.0005467400000000 ] - [ 0.0006358300000000, 0.0003572700000000, -0.0005406700000000 ] - [ -0.0005639100000000, -0.0000331000000000, -0.0005279300000000 ] - [ -0.0003927200000000, 0.0000426100000000, -0.0004805500000000 ] - [ 0.0003407800000000, -0.0001406000000000, 0.0004003600000000 ] - [ 0.0000205300000000, -0.0001601300000000, 0.0004612100000000 ] - [ 0.0001900500000000, 0.0001348900000000, 0.0003377900000000 ] - [ -0.0001513900000000, 0.0004094400000000, -0.0001778200000000 ] - [ -0.0001036700000000, 0.0001070800000000, 0.0005781100000000 ] - [ 0.0007215100000000, 0.0017759200000000, 0.0008107600000000 ] - [ 0.0004040100000000, -0.0004309500000000, 0.0003620600000000 ] - [ -0.0000059400000000, -0.0000868600000000, 0.0005871000000000 ] - [ 0.0003480600000000, 0.0003051400000000, 0.0000800800000000 ] - [ 0.0002058200000000, -0.0001778600000000, 0.0002950600000000 ] - [ 0.0002199700000000, 0.0001449800000000, 0.0011626300000000 ] - [ 0.0246265700000000, 0.0270929100000000, -0.0291804100000000 ] - [ 0.0019476400000000, 0.0001241800000000, 0.0007284100000000 ] - [ 0.0014323500000000, -0.0005493700000000, -0.0013788200000000 ]- atom: 37 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0001348700000000, -0.0000008200000000, -0.0001644800000000 ] - [ -0.0000255500000000, -0.0001032600000000, 0.0001922600000000 ] - [ -0.0000002400000000, 0.0000829300000000, 0.0000918000000000 ] - [ -0.0000011800000000, 0.0000937300000000, -0.0001529900000000 ] - [ -0.0003705800000000, 0.0001043800000000, 0.0005491500000000 ] - [ -0.0000915000000000, -0.0000143100000000, -0.0001256500000000 ] - [ -0.0013314500000000, 0.0001158700000000, -0.0000280900000000 ] - [ -0.0001584300000000, -0.0002073800000000, 0.0002939800000000 ] - [ 0.0013383600000000, 0.0015339200000000, -0.0008777100000000 ] - [ 0.0003882400000000, 0.0004865200000000, -0.0001762300000000 ] - [ -0.0000386300000000, 0.0000199400000000, 0.0003619100000000 ] - [ 0.0001902000000000, 0.0001984200000000, -0.0000239800000000 ] - [ 0.0002475000000000, -0.0000387000000000, -0.0001073800000000 ] - [ -0.0001614200000000, -0.0002164800000000, 0.0000894600000000 ] - [ 0.0004830700000000, 0.0004509900000000, 0.0000850700000000 ] - [ 0.0019928700000000, -0.0001819500000000, 0.0021720200000000 ] - [ 0.0001253700000000, -0.0000379100000000, -0.0001824400000000 ] - [ -0.0003271500000000, 0.0003182800000000, 0.0001269200000000 ] - [ 0.0007168300000000, 0.0002289000000000, 0.0002837600000000 ] - [ 0.0000762100000000, 0.0000042800000000, -0.0001476200000000 ] - [ -0.0013416200000000, -0.0002104700000000, -0.0008366200000000 ] - [ 0.0003426900000000, 0.0001748000000000, -0.0000326300000000 ] - [ -0.0001080000000000, 0.0000561500000000, 0.0003703200000000 ] - [ 0.0115844900000000, -0.0023826200000000, -0.0023446800000000 ] - [ 0.0003911400000000, 0.0002475900000000, -0.0010103300000000 ] - [ 0.0002488500000000, -0.0004720800000000, -0.0002494000000000 ] - [ -0.0010158300000000, 0.0003109800000000, -0.0003931500000000 ] - [ 0.0002105000000000, -0.0002777500000000, 0.0000273300000000 ] - [ 0.0008901800000000, -0.0013767500000000, -0.0009516100000000 ] - [ 0.0508358900000000, -0.0483535900000000, -0.0143784500000000 ] - [ -0.0001213200000000, -0.0002763100000000, 0.0006813700000000 ] - [ -0.0002756800000000, 0.0003356100000000, 0.0002058500000000 ] - [ -0.0005044300000000, -0.0005056000000000, 0.0000573000000000 ] - [ 0.0004395700000000, 0.0002342000000000, 0.0005767300000000 ] - [ -0.0015856300000000, -0.0002594200000000, 0.0001240100000000 ] - [ 0.0003815900000000, -0.0005104300000000, 0.0000504400000000 ] - [ -0.0800855400000000, 0.0582225200000000, 0.0203701600000000 ] - [ 0.0004025500000000, 0.0006313000000000, -0.0000521200000000 ] - [ -0.0001179300000000, -0.0001692300000000, 0.0005595900000000 ] - [ 0.0002950100000000, 0.0000494400000000, 0.0000405200000000 ] - [ -0.0000405200000000, 0.0000541500000000, -0.0000958300000000 ] - [ -0.0047580800000000, 0.0042459500000000, 0.0003865000000000 ] - [ 0.0001735500000000, 0.0000862700000000, 0.0000816000000000 ] - [ 0.0007068800000000, 0.0000499200000000, 0.0001006000000000 ] - [ -0.0015213800000000, 0.0009650500000000, 0.0014927700000000 ] - [ 0.0011344100000000, -0.0003097500000000, -0.0001926900000000 ] - [ -0.0000214900000000, -0.0000879700000000, -0.0001105700000000 ] - [ 0.0001151400000000, -0.0001825700000000, -0.0001460600000000 ] - [ -0.0000553500000000, 0.0001143000000000, -0.0000055100000000 ] - [ 0.0001894100000000, 0.0004555500000000, 0.0002572300000000 ] - [ 0.0002773200000000, 0.0000207200000000, 0.0000065900000000 ] - [ -0.0000780100000000, -0.0002316600000000, 0.0000608800000000 ] - [ 0.0171243700000000, -0.0119572400000000, 0.0011766900000000 ] - [ -0.0003245100000000, 0.0001521600000000, -0.0004666900000000 ] - [ 0.0001694400000000, 0.0001954400000000, -0.0002567300000000 ] - [ 0.0008973200000000, 0.0000684300000000, 0.0003055500000000 ] - [ -0.0001045500000000, -0.0001064100000000, -0.0001761600000000 ] - [ 0.0011967300000000, -0.0004496100000000, -0.0005464400000000 ] - [ -0.0003561100000000, -0.0000696200000000, -0.0001993200000000 ] - [ 0.0023389800000000, 0.0012110900000000, -0.0010566300000000 ] - [ -0.0001547100000000, -0.0001966000000000, 0.0000436300000000 ] - [ -0.0001403200000000, 0.0000463400000000, -0.0000072900000000 ] - [ 0.0004514400000000, 0.0002634100000000, -0.0001655700000000 ] - [ -0.0004923600000000, 0.0000166800000000, -0.0003377200000000 ] - [ 0.0005501800000000, 0.0006500500000000, 0.0007286600000000 ] - [ 0.0001488200000000, -0.0000427100000000, 0.0001104700000000 ] - [ -0.0000414200000000, 0.0001577500000000, -0.0004534600000000 ] - [ -0.0001807100000000, 0.0002133800000000, 0.0000802300000000 ] - [ -0.0002060300000000, -0.0001190900000000, -0.0002285800000000 ] - [ -0.0001939300000000, 0.0000505800000000, -0.0001276800000000 ] - [ -0.0001293300000000, -0.0001117600000000, 0.0000961600000000 ] - [ -0.0000164000000000, -0.0004231800000000, 0.0001243900000000 ] - [ -0.0004462800000000, 0.0022877200000000, 0.0007998800000000 ] - [ 0.0000573400000000, -0.0000787100000000, 0.0001661200000000 ] - [ 0.0007487900000000, -0.0002953200000000, -0.0001743100000000 ] - [ -0.0000296800000000, 0.0002323300000000, 0.0000208400000000 ] - [ -0.0010491200000000, 0.0006326800000000, -0.0010504200000000 ] - [ 0.0006805100000000, 0.0000501700000000, 0.0000820100000000 ] - [ -0.0006986100000000, -0.0002838500000000, 0.0003793600000000 ] - [ -0.0006652600000000, -0.0054874600000000, -0.0064054800000000 ] - [ 0.0008952700000000, -0.0004012100000000, 0.0001442500000000 ] - [ 0.0000792400000000, 0.0000819900000000, -0.0000322900000000 ] - [ -0.0005117700000000, -0.0000072700000000, 0.0001572600000000 ] - [ 0.0002269000000000, 0.0002341500000000, 0.0003593500000000 ]- atom: 37 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0004859400000000, 0.0001641800000000, -0.0001568100000000 ] - [ 0.0000299300000000, -0.0000596700000000, -0.0002791300000000 ] - [ -0.0000042200000000, 0.0000795300000000, -0.0000029800000000 ] - [ 0.0003686900000000, 0.0001247100000000, -0.0000767800000000 ] - [ -0.0002514700000000, 0.0000582100000000, -0.0002266800000000 ] - [ 0.0004600200000000, -0.0002029100000000, -0.0001051000000000 ] - [ 0.0010850100000000, 0.0003128000000000, 0.0001828200000000 ] - [ -0.0002117500000000, -0.0000100600000000, -0.0000644900000000 ] - [ -0.0012205400000000, -0.0014603700000000, 0.0004561000000000 ] - [ -0.0007636900000000, -0.0002687900000000, 0.0003994000000000 ] - [ 0.0000126800000000, -0.0000217800000000, 0.0000010700000000 ] - [ 0.0000557800000000, 0.0002277500000000, -0.0001328300000000 ] - [ -0.0002679100000000, 0.0000426200000000, 0.0004743000000000 ] - [ -0.0000850600000000, -0.0002095600000000, 0.0000666500000000 ] - [ -0.0002449700000000, -0.0008769700000000, -0.0002399900000000 ] - [ -0.0026144500000000, 0.0000135300000000, -0.0018908100000000 ] - [ 0.0004937000000000, -0.0001260000000000, -0.0001371300000000 ] - [ 0.0003203600000000, -0.0004666300000000, -0.0000349800000000 ] - [ -0.0007008500000000, -0.0000732700000000, -0.0003463200000000 ] - [ -0.0000492800000000, -0.0000018300000000, -0.0002146600000000 ] - [ 0.0022527600000000, 0.0000121900000000, 0.0007763900000000 ] - [ 0.0005771900000000, 0.0000211600000000, -0.0000302100000000 ] - [ -0.0008127800000000, -0.0002518700000000, -0.0003086400000000 ] - [ -0.0130351900000000, 0.0024188700000000, 0.0027308900000000 ] - [ -0.0000073400000000, 0.0002435100000000, 0.0001999500000000 ] - [ -0.0001585900000000, 0.0000122500000000, -0.0001191700000000 ] - [ 0.0010972500000000, 0.0001508700000000, 0.0000209000000000 ] - [ 0.0004421400000000, -0.0003908500000000, -0.0000487800000000 ] - [ -0.0009772000000000, 0.0009146900000000, 0.0013105000000000 ] - [ -0.0518502200000000, 0.0491195300000000, 0.0148482000000000 ] - [ -0.0002627400000000, -0.0002142600000000, 0.0001262100000000 ] - [ -0.0003783600000000, 0.0003330800000000, -0.0001858900000000 ] - [ 0.0011542100000000, 0.0011665400000000, -0.0000758400000000 ] - [ -0.0005184400000000, 0.0002284500000000, -0.0002052400000000 ] - [ 0.0019675100000000, -0.0002455700000000, -0.0009335400000000 ] - [ -0.0007921300000000, 0.0010114400000000, 0.0007425100000000 ] - [ 0.0810872600000000, -0.0595653400000000, -0.0210247300000000 ] - [ -0.0006641200000000, -0.0009639900000000, 0.0001391800000000 ] - [ 0.0002311600000000, -0.0001647400000000, -0.0001055600000000 ] - [ -0.0002972400000000, -0.0002087500000000, -0.0000244000000000 ] - [ 0.0001793600000000, 0.0002350000000000, 0.0005002800000000 ] - [ 0.0050314600000000, -0.0039856200000000, -0.0004911300000000 ] - [ 0.0000303100000000, 0.0001212400000000, 0.0000872600000000 ] - [ -0.0005471300000000, -0.0000171100000000, -0.0002506100000000 ] - [ 0.0016643300000000, -0.0012508700000000, -0.0010829200000000 ] - [ -0.0011460900000000, 0.0001765400000000, 0.0000377900000000 ] - [ 0.0000237600000000, -0.0000740200000000, 0.0000956800000000 ] - [ 0.0001445400000000, -0.0001555500000000, 0.0000571800000000 ] - [ -0.0002052000000000, 0.0002248100000000, 0.0000951000000000 ] - [ -0.0005920900000000, -0.0001059700000000, -0.0000984800000000 ] - [ 0.0002916700000000, -0.0000417700000000, 0.0000070200000000 ] - [ 0.0001963800000000, -0.0002134000000000, -0.0002599300000000 ] - [ -0.0176178900000000, 0.0123785500000000, -0.0014008300000000 ] - [ 0.0003378600000000, -0.0002821100000000, 0.0006133500000000 ] - [ 0.0002377500000000, 0.0001499300000000, 0.0000978400000000 ] - [ -0.0006883600000000, -0.0002712600000000, -0.0001364700000000 ] - [ -0.0000367800000000, -0.0001839600000000, -0.0002301100000000 ] - [ -0.0010723400000000, 0.0009086800000000, 0.0003373400000000 ] - [ 0.0000096400000000, -0.0000762800000000, -0.0000561200000000 ] - [ -0.0024803800000000, -0.0014283200000000, 0.0005896200000000 ] - [ -0.0002523900000000, -0.0001477500000000, 0.0001149600000000 ] - [ -0.0000159800000000, -0.0000163800000000, 0.0001584600000000 ] - [ -0.0003378700000000, 0.0000732600000000, 0.0006132900000000 ] - [ -0.0000805900000000, 0.0000013400000000, 0.0003258200000000 ] - [ -0.0004183400000000, -0.0004418500000000, -0.0002587200000000 ] - [ 0.0000067000000000, 0.0000128600000000, -0.0002620600000000 ] - [ -0.0000709000000000, 0.0001765300000000, 0.0000061100000000 ] - [ 0.0001609400000000, -0.0000808400000000, -0.0002306200000000 ] - [ 0.0000033200000000, -0.0000875400000000, 0.0000613100000000 ] - [ 0.0000655300000000, 0.0001568700000000, -0.0003437100000000 ] - [ 0.0000212800000000, -0.0002213400000000, -0.0005412900000000 ] - [ -0.0000869000000000, -0.0000181700000000, 0.0000763700000000 ] - [ 0.0003217000000000, -0.0023235400000000, -0.0006340400000000 ] - [ 0.0000722000000000, -0.0001281400000000, 0.0003051500000000 ] - [ -0.0008893700000000, 0.0005839700000000, -0.0002304400000000 ] - [ -0.0000870100000000, 0.0002108900000000, 0.0001783100000000 ] - [ 0.0004803700000000, -0.0006497700000000, 0.0010441300000000 ] - [ -0.0003351700000000, -0.0001951300000000, 0.0001732700000000 ] - [ 0.0003513300000000, 0.0004240300000000, -0.0006303900000000 ] - [ 0.0011385000000000, 0.0051436700000000, 0.0062492300000000 ] - [ -0.0003221600000000, 0.0004177000000000, -0.0001317000000000 ] - [ -0.0000820900000000, 0.0000794900000000, 0.0000482000000000 ] - [ 0.0005266200000000, 0.0001365400000000, -0.0000056200000000 ] - [ 0.0001164500000000, -0.0000879100000000, -0.0001022400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002923200000000, 0.0000336600000000, -0.0001292500000000 ] - [ -0.0000285500000000, 0.0000160600000000, -0.0000846900000000 ] - [ 0.0000314800000000, 0.0000071200000000, 0.0000820300000000 ] - [ 0.0002008300000000, 0.0001949000000000, -0.0001640900000000 ] - [ -0.0001040000000000, 0.0002047700000000, -0.0002705500000000 ] - [ 0.0001854700000000, -0.0000604500000000, -0.0001339400000000 ] - [ 0.0004172800000000, 0.0003430600000000, 0.0000901400000000 ] - [ -0.0002452700000000, -0.0000917300000000, 0.0001831000000000 ] - [ 0.0018157300000000, 0.0030000600000000, -0.0012889400000000 ] - [ 0.0003732700000000, -0.0004687800000000, 0.0010162400000000 ] - [ -0.0000495900000000, -0.0000927000000000, 0.0001228800000000 ] - [ 0.0001356800000000, 0.0001817700000000, -0.0000858700000000 ] - [ -0.0003909600000000, -0.0006216500000000, -0.0006934500000000 ] - [ -0.0001166000000000, -0.0001971700000000, 0.0000809300000000 ] - [ 0.0008069900000000, -0.0012918800000000, -0.0004111000000000 ] - [ -0.0007546400000000, 0.0008386700000000, -0.0004006400000000 ] - [ 0.0003205400000000, -0.0001858900000000, -0.0002074800000000 ] - [ -0.0001220000000000, -0.0013914800000000, 0.0001527100000000 ] - [ 0.0001262100000000, 0.0009495300000000, 0.0007767400000000 ] - [ 0.0000095600000000, 0.0000724600000000, -0.0001373500000000 ] - [ 0.0003233000000000, -0.0003572600000000, 0.0003151700000000 ] - [ 0.0004925300000000, -0.0000508500000000, -0.0000378700000000 ] - [ -0.0003985300000000, 0.0000361300000000, 0.0001538000000000 ] - [ -0.0048764600000000, 0.0068462900000000, 0.0024682700000000 ] - [ 0.0000262300000000, 0.0003656700000000, -0.0000145500000000 ] - [ -0.0003524400000000, -0.0000106200000000, -0.0002481800000000 ] - [ 0.0006010700000000, 0.0006529700000000, -0.0003199700000000 ] - [ 0.0002971200000000, -0.0003695600000000, 0.0000050400000000 ] - [ -0.0005884500000000, 0.0008149500000000, 0.0028384900000000 ] - [ -0.0433656300000000, 0.0931641800000000, 0.0196652800000000 ] - [ -0.0001959400000000, -0.0002508000000000, 0.0003727400000000 ] - [ -0.0003552000000000, 0.0003920800000000, -0.0000617500000000 ] - [ 0.0000600000000000, -0.0003366500000000, 0.0002028700000000 ] - [ 0.0000764400000000, 0.0001071200000000, 0.0004019200000000 ] - [ 0.0001609700000000, 0.0008670600000000, -0.0002216200000000 ] - [ -0.0025451300000000, 0.0014052900000000, -0.0007779300000000 ] - [ 0.0602511900000000, -0.1231656500000000, -0.0278752300000000 ] - [ 0.0002906700000000, 0.0002001000000000, 0.0000215200000000 ] - [ 0.0001370800000000, -0.0002974600000000, -0.0000000900000000 ] - [ 0.0001285900000000, 0.0002213500000000, -0.0000053300000000 ] - [ 0.0000589900000000, 0.0001655600000000, 0.0001256700000000 ] - [ -0.0025784700000000, 0.0124611600000000, 0.0004856100000000 ] - [ 0.0001067200000000, 0.0001407400000000, 0.0001044500000000 ] - [ -0.0001838800000000, -0.0003369100000000, -0.0001868300000000 ] - [ 0.0006550500000000, 0.0031807300000000, -0.0035120800000000 ] - [ -0.0007073500000000, -0.0001302200000000, 0.0000693300000000 ] - [ 0.0000091300000000, -0.0001311900000000, 0.0000313400000000 ] - [ 0.0001589200000000, -0.0002092200000000, -0.0000617500000000 ] - [ -0.0001463000000000, 0.0001972400000000, 0.0000663000000000 ] - [ 0.0000335400000000, 0.0004454900000000, -0.0000247100000000 ] - [ 0.0003586500000000, 0.0000020100000000, 0.0000531000000000 ] - [ 0.0001149100000000, -0.0003814500000000, -0.0000641500000000 ] - [ -0.0107018800000000, 0.0000976000000000, 0.0001411000000000 ] - [ 0.0000414000000000, 0.0000326100000000, -0.0001218600000000 ] - [ 0.0002183400000000, 0.0001427800000000, -0.0000147800000000 ] - [ 0.0001944600000000, 0.0001975100000000, 0.0000158200000000 ] - [ 0.0000009800000000, -0.0001530900000000, -0.0001496800000000 ] - [ 0.0007333300000000, -0.0014490800000000, -0.0002713300000000 ] - [ -0.0001683000000000, 0.0001525000000000, -0.0002872000000000 ] - [ 0.0013495400000000, 0.0004764800000000, -0.0008096400000000 ] - [ -0.0002128400000000, -0.0001375700000000, 0.0000699000000000 ] - [ -0.0000793700000000, 0.0000438200000000, 0.0000717100000000 ] - [ -0.0000313900000000, -0.0000289100000000, 0.0002255900000000 ] - [ -0.0003008700000000, -0.0000399200000000, -0.0002958800000000 ] - [ 0.0005570900000000, -0.0001442800000000, 0.0003368600000000 ] - [ 0.0000559100000000, -0.0000101500000000, -0.0001983100000000 ] - [ -0.0000614400000000, 0.0001961100000000, -0.0002066200000000 ] - [ 0.0002315800000000, -0.0000987400000000, -0.0000075600000000 ] - [ -0.0000804800000000, -0.0001576600000000, -0.0000485200000000 ] - [ -0.0000559500000000, 0.0001126400000000, -0.0003242700000000 ] - [ 0.0001684100000000, -0.0000637600000000, 0.0000946300000000 ] - [ 0.0011464100000000, 0.0001259800000000, 0.0000811200000000 ] - [ 0.0030488900000000, 0.0022683900000000, 0.0016794100000000 ] - [ 0.0000557100000000, -0.0001057300000000, 0.0002226400000000 ] - [ -0.0006628400000000, 0.0001834200000000, 0.0000321900000000 ] - [ -0.0000579400000000, 0.0002482900000000, 0.0001127400000000 ] - [ -0.0001960400000000, -0.0002676800000000, -0.0006548600000000 ] - [ 0.0000282200000000, -0.0005063900000000, 0.0001226400000000 ] - [ 0.0005237900000000, 0.0009655400000000, -0.0012828100000000 ] - [ -0.0069333900000000, 0.0004924500000000, 0.0092126200000000 ] - [ 0.0001283500000000, 0.0001734200000000, 0.0000520900000000 ] - [ -0.0000032200000000, 0.0001150200000000, 0.0000131500000000 ] - [ -0.0000978200000000, 0.0001599800000000, -0.0002882600000000 ] - [ 0.0002103400000000, -0.0001001900000000, 0.0000110600000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003276300000000, 0.0001300800000000, -0.0001908500000000 ] - [ 0.0000341800000000, -0.0001777600000000, -0.0000051000000000 ] - [ -0.0000378500000000, 0.0001554700000000, 0.0000071800000000 ] - [ 0.0001688200000000, 0.0000226500000000, -0.0000656500000000 ] - [ -0.0005157800000000, -0.0000412300000000, 0.0005878900000000 ] - [ 0.0001856200000000, -0.0001562800000000, -0.0000962400000000 ] - [ -0.0006610900000000, 0.0000829400000000, 0.0000658400000000 ] - [ -0.0001242700000000, -0.0001253900000000, 0.0000463500000000 ] - [ -0.0017326800000000, -0.0029688100000000, 0.0008909700000000 ] - [ -0.0007399400000000, 0.0006907100000000, -0.0007816700000000 ] - [ 0.0000231800000000, 0.0000904300000000, 0.0002390400000000 ] - [ 0.0001097900000000, 0.0002448300000000, -0.0000703900000000 ] - [ 0.0003631800000000, 0.0006285600000000, 0.0010502400000000 ] - [ -0.0001289500000000, -0.0002289400000000, 0.0000757300000000 ] - [ -0.0005545700000000, 0.0008673800000000, 0.0002496800000000 ] - [ 0.0001357200000000, -0.0010063600000000, 0.0007247000000000 ] - [ 0.0002999700000000, 0.0000231000000000, -0.0001108700000000 ] - [ 0.0001066700000000, 0.0012340900000000, -0.0000566500000000 ] - [ -0.0001225900000000, -0.0007934600000000, -0.0008693500000000 ] - [ 0.0000168700000000, -0.0000698800000000, -0.0002240300000000 ] - [ 0.0006019800000000, 0.0001574100000000, -0.0003819700000000 ] - [ 0.0004295000000000, 0.0002474200000000, -0.0000226600000000 ] - [ -0.0005225100000000, -0.0002305100000000, -0.0000923100000000 ] - [ 0.0039230200000000, -0.0066904000000000, -0.0023906800000000 ] - [ 0.0003582100000000, 0.0001264000000000, -0.0007946900000000 ] - [ 0.0004407900000000, -0.0004445100000000, -0.0001189300000000 ] - [ -0.0005104200000000, -0.0001922100000000, -0.0000481700000000 ] - [ 0.0003570300000000, -0.0003007500000000, -0.0000276700000000 ] - [ 0.0005006400000000, -0.0012911400000000, -0.0024842700000000 ] - [ 0.0399788300000000, -0.0897097000000000, -0.0184292500000000 ] - [ -0.0001881300000000, -0.0002389700000000, 0.0004359000000000 ] - [ -0.0002984100000000, 0.0002781000000000, 0.0000825500000000 ] - [ 0.0005907500000000, 0.0010134200000000, -0.0002304100000000 ] - [ -0.0001658900000000, 0.0003608800000000, -0.0000303000000000 ] - [ 0.0002240100000000, -0.0013470100000000, -0.0005882000000000 ] - [ 0.0021778200000000, -0.0009264400000000, 0.0016016300000000 ] - [ -0.0573295700000000, 0.1190660600000000, 0.0265553400000000 ] - [ -0.0005520100000000, -0.0005436200000000, 0.0000694100000000 ] - [ -0.0000250500000000, -0.0000376800000000, 0.0004480400000000 ] - [ -0.0001289900000000, -0.0003829900000000, 0.0000228900000000 ] - [ 0.0000818800000000, 0.0001236300000000, 0.0002780000000000 ] - [ 0.0027863600000000, -0.0118416000000000, -0.0005596400000000 ] - [ 0.0000970300000000, 0.0000680900000000, 0.0000643700000000 ] - [ 0.0003398000000000, 0.0003663500000000, 0.0000368400000000 ] - [ -0.0005225700000000, -0.0035029300000000, 0.0039677400000000 ] - [ 0.0006859900000000, 0.0000016100000000, -0.0002222000000000 ] - [ -0.0000059400000000, -0.0000315900000000, -0.0000469900000000 ] - [ 0.0001008900000000, -0.0001281100000000, -0.0000275300000000 ] - [ -0.0001140300000000, 0.0001421500000000, 0.0000234000000000 ] - [ -0.0004409300000000, -0.0001024200000000, 0.0001868500000000 ] - [ 0.0002111300000000, -0.0000235000000000, -0.0000408400000000 ] - [ 0.0000024300000000, -0.0000627800000000, -0.0001345800000000 ] - [ 0.0104424700000000, 0.0000644200000000, -0.0003021400000000 ] - [ -0.0000215900000000, -0.0001675700000000, 0.0002732900000000 ] - [ 0.0001890000000000, 0.0002019700000000, -0.0001448100000000 ] - [ 0.0000124900000000, -0.0004060000000000, 0.0001552500000000 ] - [ -0.0001421900000000, -0.0001380600000000, -0.0002574100000000 ] - [ -0.0006256900000000, 0.0018943400000000, 0.0000792600000000 ] - [ -0.0001743200000000, -0.0003015300000000, 0.0000274000000000 ] - [ -0.0014687100000000, -0.0006819300000000, 0.0003335100000000 ] - [ -0.0001944400000000, -0.0002053800000000, 0.0000889300000000 ] - [ -0.0000780300000000, -0.0000126900000000, 0.0000786200000000 ] - [ 0.0001435100000000, 0.0003621900000000, 0.0002208300000000 ] - [ -0.0002707300000000, 0.0000565400000000, 0.0002833700000000 ] - [ -0.0004292800000000, 0.0003510800000000, 0.0001368300000000 ] - [ 0.0001001600000000, -0.0000202000000000, 0.0000466300000000 ] - [ -0.0000516000000000, 0.0001386600000000, -0.0002388200000000 ] - [ -0.0002497400000000, 0.0002290000000000, -0.0001445300000000 ] - [ -0.0001229700000000, -0.0000498000000000, -0.0001192600000000 ] - [ -0.0000729000000000, 0.0000941100000000, -0.0001473300000000 ] - [ -0.0002813900000000, -0.0002680700000000, -0.0005448000000000 ] - [ -0.0012805400000000, -0.0005747000000000, 0.0001200100000000 ] - [ -0.0032499000000000, -0.0023203300000000, -0.0015530400000000 ] - [ 0.0000738000000000, -0.0001003200000000, 0.0002480100000000 ] - [ 0.0005210300000000, 0.0001101200000000, -0.0004374900000000 ] - [ -0.0000579800000000, 0.0001947300000000, 0.0000863300000000 ] - [ -0.0003736300000000, 0.0002487300000000, 0.0006404100000000 ] - [ 0.0003148100000000, 0.0003624100000000, 0.0001335100000000 ] - [ -0.0008749700000000, -0.0008275900000000, 0.0010387100000000 ] - [ 0.0072941800000000, -0.0008737000000000, -0.0093160900000000 ] - [ 0.0004409900000000, -0.0001522400000000, -0.0000400500000000 ] - [ -0.0000004400000000, 0.0000470800000000, 0.0000033100000000 ] - [ 0.0001182600000000, -0.0000237400000000, 0.0004415200000000 ] - [ 0.0001327800000000, 0.0002437200000000, 0.0002415200000000 ]- atom: 37 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0003493800000000, 0.0001726900000000, -0.0001513500000000 ] - [ 0.0000663200000000, -0.0000900100000000, -0.0002905700000000 ] - [ -0.0000240100000000, 0.0000613100000000, -0.0002062000000000 ] - [ 0.0001727300000000, 0.0000832400000000, -0.0002030200000000 ] - [ 0.0000332700000000, 0.0002041500000000, -0.0006606500000000 ] - [ 0.0002733800000000, -0.0002255000000000, -0.0000812100000000 ] - [ 0.0000092600000000, 0.0001920100000000, 0.0003240500000000 ] - [ -0.0000825700000000, -0.0000571600000000, -0.0001495300000000 ] - [ -0.0009620000000000, -0.0012160900000000, 0.0006380900000000 ] - [ -0.0004131100000000, 0.0002693700000000, 0.0001051600000000 ] - [ 0.0000542800000000, 0.0000081500000000, -0.0000061300000000 ] - [ 0.0000735200000000, 0.0002111700000000, -0.0002472500000000 ] - [ -0.0005097300000000, -0.0003341700000000, 0.0005067800000000 ] - [ -0.0001715300000000, -0.0002036000000000, -0.0000836800000000 ] - [ 0.0003478800000000, -0.0007316800000000, 0.0007333900000000 ] - [ 0.0005754100000000, -0.0002804700000000, 0.0022059200000000 ] - [ 0.0003479800000000, -0.0000797000000000, -0.0002342200000000 ] - [ 0.0001022500000000, -0.0002482900000000, 0.0000331800000000 ] - [ 0.0006643800000000, 0.0004486900000000, 0.0036473400000000 ] - [ 0.0000144000000000, 0.0000219800000000, -0.0004487200000000 ] - [ 0.0012490900000000, 0.0000014800000000, 0.0013184200000000 ] - [ 0.0003094900000000, 0.0000344100000000, -0.0005851100000000 ] - [ -0.0005810900000000, -0.0001703300000000, -0.0008861400000000 ] - [ -0.0051671900000000, 0.0019470500000000, 0.0086420200000000 ] - [ -0.0001182300000000, 0.0004917600000000, -0.0006439400000000 ] - [ -0.0004581900000000, -0.0004590800000000, -0.0007342100000000 ] - [ 0.0006740100000000, 0.0000938200000000, 0.0001039700000000 ] - [ 0.0003697700000000, -0.0003861100000000, -0.0002439400000000 ] - [ -0.0007845900000000, 0.0004247100000000, 0.0011024000000000 ] - [ -0.0251956800000000, 0.0318184400000000, 0.0289634800000000 ] - [ -0.0002798000000000, -0.0001543000000000, -0.0001160200000000 ] - [ -0.0002807900000000, 0.0002678000000000, -0.0004484400000000 ] - [ 0.0006162900000000, 0.0004324200000000, 0.0003009600000000 ] - [ 0.0000074300000000, 0.0005212200000000, -0.0001505500000000 ] - [ 0.0012815000000000, -0.0002609100000000, -0.0011227800000000 ] - [ -0.0005801800000000, 0.0007452900000000, 0.0007677500000000 ] - [ 0.0367844300000000, -0.0388312000000000, -0.0478765300000000 ] - [ -0.0002777800000000, -0.0002888100000000, -0.0002188200000000 ] - [ 0.0002477500000000, -0.0003175900000000, 0.0004510000000000 ] - [ -0.0000326900000000, -0.0001231700000000, -0.0001512900000000 ] - [ 0.0000290600000000, 0.0001266600000000, 0.0006588600000000 ] - [ 0.0017445100000000, -0.0029251400000000, -0.0044030900000000 ] - [ 0.0001404000000000, 0.0001501400000000, 0.0002351000000000 ] - [ -0.0005779900000000, -0.0001811900000000, -0.0004203100000000 ] - [ 0.0005063200000000, -0.0033230000000000, -0.0002449200000000 ] - [ -0.0007351000000000, 0.0001301900000000, -0.0001724800000000 ] - [ -0.0000920400000000, -0.0001195200000000, 0.0002452600000000 ] - [ 0.0000554800000000, -0.0000553600000000, 0.0001721100000000 ] - [ -0.0001818500000000, 0.0002392200000000, 0.0001794300000000 ] - [ -0.0003273500000000, 0.0000164600000000, -0.0003154500000000 ] - [ 0.0004716200000000, 0.0001355300000000, 0.0002188700000000 ] - [ 0.0002125900000000, -0.0004457400000000, 0.0002072900000000 ] - [ 0.0025470300000000, -0.0000199800000000, -0.0054292900000000 ] - [ 0.0001146900000000, -0.0002449800000000, 0.0004493100000000 ] - [ 0.0001694600000000, 0.0001929700000000, 0.0003391300000000 ] - [ -0.0002502300000000, -0.0000929300000000, -0.0002389800000000 ] - [ 0.0000406300000000, -0.0000245300000000, 0.0002016400000000 ] - [ -0.0002538600000000, 0.0008088000000000, 0.0005056400000000 ] - [ -0.0001367500000000, -0.0001251100000000, -0.0000390800000000 ] - [ -0.0019416700000000, -0.0011775100000000, 0.0002128900000000 ] - [ -0.0002197300000000, -0.0001749500000000, 0.0003056900000000 ] - [ -0.0000203500000000, -0.0000767500000000, 0.0003047900000000 ] - [ -0.0001593300000000, 0.0001503200000000, 0.0003038200000000 ] - [ -0.0003464900000000, -0.0003020000000000, 0.0005562700000000 ] - [ -0.0002075400000000, -0.0001696600000000, -0.0003583000000000 ] - [ 0.0002162000000000, -0.0001055300000000, 0.0000658000000000 ] - [ -0.0001070900000000, 0.0001792400000000, 0.0001945900000000 ] - [ 0.0004085700000000, 0.0001111000000000, 0.0002122300000000 ] - [ -0.0000440800000000, -0.0000441400000000, 0.0001971600000000 ] - [ 0.0000434200000000, 0.0000008200000000, -0.0000904300000000 ] - [ 0.0001491600000000, 0.0000047300000000, -0.0006696000000000 ] - [ 0.0002118200000000, -0.0001835500000000, -0.0001206400000000 ] - [ 0.0009628300000000, -0.0002786000000000, -0.0008384500000000 ] - [ 0.0001005500000000, -0.0001871000000000, 0.0004245800000000 ] - [ -0.0007086300000000, 0.0005348000000000, -0.0003515400000000 ] - [ -0.0000716800000000, 0.0002252600000000, 0.0002688300000000 ] - [ 0.0001194600000000, -0.0006071500000000, 0.0005575400000000 ] - [ -0.0000912500000000, -0.0000597100000000, 0.0001685600000000 ] - [ 0.0001184200000000, 0.0003933100000000, -0.0004274600000000 ] - [ -0.0111021200000000, 0.0130167800000000, 0.0125679400000000 ] - [ -0.0000987000000000, 0.0003088800000000, -0.0002102600000000 ] - [ -0.0000579000000000, 0.0000781600000000, 0.0001368700000000 ] - [ 0.0003101100000000, -0.0000528400000000, 0.0001114700000000 ] - [ 0.0003543500000000, 0.0001806200000000, 0.0004250200000000 ]- atom: 37 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0002712000000000, -0.0000083500000000, -0.0001685000000000 ] - [ -0.0000623100000000, -0.0000716300000000, 0.0002031100000000 ] - [ 0.0000191800000000, 0.0001003100000000, 0.0002976600000000 ] - [ 0.0001975100000000, 0.0001344900000000, -0.0000266300000000 ] - [ -0.0006533700000000, -0.0000379400000000, 0.0009790700000000 ] - [ 0.0000969300000000, 0.0000087900000000, -0.0001484900000000 ] - [ -0.0002618800000000, 0.0002332900000000, -0.0001697600000000 ] - [ -0.0002893500000000, -0.0001596700000000, 0.0003808500000000 ] - [ 0.0010458000000000, 0.0012531800000000, -0.0010243200000000 ] - [ 0.0000428100000000, -0.0000492900000000, 0.0001167800000000 ] - [ -0.0000813200000000, -0.0000107500000000, 0.0003687500000000 ] - [ 0.0001724300000000, 0.0002156900000000, 0.0000916700000000 ] - [ 0.0004864900000000, 0.0003376200000000, -0.0001408800000000 ] - [ -0.0000737100000000, -0.0002224900000000, 0.0002408100000000 ] - [ -0.0001067500000000, 0.0003056100000000, -0.0008869300000000 ] - [ -0.0012606500000000, 0.0001018300000000, -0.0019980400000000 ] - [ 0.0002713400000000, -0.0000840500000000, -0.0000846500000000 ] - [ -0.0001116700000000, 0.0001007000000000, 0.0000590700000000 ] - [ -0.0005923200000000, -0.0002892000000000, -0.0036258800000000 ] - [ 0.0000121400000000, -0.0000186600000000, 0.0000890100000000 ] - [ -0.0003307000000000, -0.0001937300000000, -0.0013896600000000 ] - [ 0.0006143000000000, 0.0001600900000000, 0.0005265900000000 ] - [ -0.0003406400000000, -0.0000238200000000, 0.0009556200000000 ] - [ 0.0039662600000000, -0.0018456400000000, -0.0084794000000000 ] - [ 0.0005075600000000, -0.0000032800000000, -0.0001690000000000 ] - [ 0.0005503100000000, 0.0000030200000000, 0.0003696700000000 ] - [ -0.0005892700000000, 0.0003657300000000, -0.0004663100000000 ] - [ 0.0002845700000000, -0.0002831800000000, 0.0002228900000000 ] - [ 0.0007003100000000, -0.0008720000000000, -0.0007088000000000 ] - [ 0.0243545300000000, -0.0320809400000000, -0.0292035100000000 ] - [ -0.0001046400000000, -0.0003377100000000, 0.0009271800000000 ] - [ -0.0003751300000000, 0.0004033300000000, 0.0004737900000000 ] - [ 0.0000374300000000, 0.0002404800000000, -0.0003312900000000 ] - [ -0.0000955300000000, -0.0000639400000000, 0.0005213300000000 ] - [ -0.0009034000000000, -0.0002419400000000, 0.0003128900000000 ] - [ 0.0002102100000000, -0.0002630400000000, 0.0000418500000000 ] - [ -0.0363431600000000, 0.0385220600000000, 0.0478905600000000 ] - [ 0.0000149000000000, -0.0000537800000000, 0.0003125800000000 ] - [ -0.0001389200000000, -0.0000144800000000, 0.0000013100000000 ] - [ 0.0000282500000000, -0.0000402700000000, 0.0001703600000000 ] - [ 0.0001147200000000, 0.0001659800000000, -0.0002587400000000 ] - [ -0.0014687500000000, 0.0032183400000000, 0.0043251000000000 ] - [ 0.0000609500000000, 0.0000593500000000, -0.0000675400000000 ] - [ 0.0007326900000000, 0.0002154800000000, 0.0002705200000000 ] - [ -0.0003551600000000, 0.0030194500000000, 0.0006141300000000 ] - [ 0.0007160500000000, -0.0002618600000000, 0.0000209300000000 ] - [ 0.0000967100000000, -0.0000440700000000, -0.0002630800000000 ] - [ 0.0002055900000000, -0.0002845500000000, -0.0002640200000000 ] - [ -0.0000787700000000, 0.0001002500000000, -0.0000906800000000 ] - [ -0.0000809600000000, 0.0003269500000000, 0.0004812900000000 ] - [ 0.0000964800000000, -0.0001575000000000, -0.0002109200000000 ] - [ -0.0000980200000000, 0.0000023100000000, -0.0004093500000000 ] - [ -0.0026451500000000, 0.0001709900000000, 0.0052599200000000 ] - [ -0.0000967000000000, 0.0001141600000000, -0.0003016300000000 ] - [ 0.0002398300000000, 0.0001493800000000, -0.0005039700000000 ] - [ 0.0004548100000000, -0.0001175300000000, 0.0004107400000000 ] - [ -0.0001849000000000, -0.0002687400000000, -0.0006108400000000 ] - [ 0.0003880100000000, -0.0003513000000000, -0.0007055900000000 ] - [ -0.0002084700000000, -0.0000203000000000, -0.0002171000000000 ] - [ 0.0018096400000000, 0.0009650800000000, -0.0006821700000000 ] - [ -0.0001891200000000, -0.0001665200000000, -0.0001478900000000 ] - [ -0.0001339000000000, 0.0001098000000000, -0.0001569300000000 ] - [ 0.0002731300000000, 0.0001854500000000, 0.0001453600000000 ] - [ -0.0002232600000000, 0.0003252200000000, -0.0005706100000000 ] - [ 0.0003350300000000, 0.0003831500000000, 0.0008319700000000 ] - [ -0.0000646500000000, 0.0000749500000000, -0.0002174500000000 ] - [ -0.0000045500000000, 0.0001556000000000, -0.0006456000000000 ] - [ -0.0004306300000000, 0.0000195400000000, -0.0003681200000000 ] - [ -0.0001576900000000, -0.0001655700000000, -0.0003670300000000 ] - [ -0.0001733900000000, 0.0002095000000000, -0.0003816300000000 ] - [ -0.0002640000000000, -0.0003408700000000, 0.0002240100000000 ] - [ -0.0003377300000000, -0.0002675100000000, 0.0003218900000000 ] - [ -0.0011306600000000, 0.0002463300000000, 0.0009804500000000 ] - [ 0.0000285100000000, -0.0000202900000000, 0.0000446700000000 ] - [ 0.0005770200000000, -0.0002458100000000, -0.0000544600000000 ] - [ -0.0000445000000000, 0.0002216500000000, -0.0000714100000000 ] - [ -0.0006846000000000, 0.0005864800000000, -0.0005705600000000 ] - [ 0.0004364000000000, -0.0000839500000000, 0.0000853600000000 ] - [ -0.0004571800000000, -0.0002400900000000, 0.0001564100000000 ] - [ 0.0113562800000000, -0.0131487600000000, -0.0125293200000000 ] - [ 0.0006716300000000, -0.0002913500000000, 0.0002200700000000 ] - [ 0.0000540000000000, 0.0000856900000000, -0.0001215300000000 ] - [ -0.0002936200000000, 0.0001856800000000, 0.0000355600000000 ] - [ -0.0000108600000000, -0.0000366100000000, -0.0001715800000000 ]- atom: 38 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0008199100000000, -0.0000999100000000, -0.0005870600000000 ] - [ 0.0000425400000000, -0.0001004600000000, 0.0000183300000000 ] - [ -0.0000346200000000, 0.0001484600000000, 0.0002394700000000 ] - [ 0.0001155500000000, 0.0000597200000000, 0.0000586600000000 ] - [ -0.0005222800000000, 0.0000792200000000, 0.0001368700000000 ] - [ 0.0043635900000000, -0.0006613000000000, 0.0040883800000000 ] - [ 0.0020837600000000, 0.0006031700000000, -0.0008075100000000 ] - [ -0.0003499100000000, -0.0001006400000000, 0.0000500800000000 ] - [ 0.0009239400000000, 0.0001352000000000, 0.0004279500000000 ] - [ -0.0003873500000000, 0.0002477700000000, -0.0000190100000000 ] - [ 0.0000209100000000, 0.0000141300000000, 0.0002679800000000 ] - [ 0.0001081200000000, 0.0002061400000000, -0.0000630800000000 ] - [ 0.0029485500000000, -0.0021223600000000, -0.0012402000000000 ] - [ -0.0000388800000000, -0.0002397600000000, 0.0001367900000000 ] - [ -0.0008025400000000, -0.0000534500000000, -0.0001000800000000 ] - [ -0.0004127100000000, -0.0001946100000000, 0.0000574500000000 ] - [ 0.0002105500000000, -0.0000367100000000, 0.0001583600000000 ] - [ 0.0003893400000000, 0.0001186700000000, -0.0001939200000000 ] - [ -0.0004374800000000, -0.0005124200000000, 0.0000442800000000 ] - [ -0.0000472500000000, -0.0000620200000000, -0.0000345500000000 ] - [ 0.0021836100000000, -0.0039989800000000, 0.0012860300000000 ] - [ 0.0008489500000000, 0.0002996200000000, 0.0003055100000000 ] - [ -0.0005205900000000, -0.0000343000000000, -0.0000227100000000 ] - [ -0.0022784000000000, -0.0006358800000000, 0.0002014600000000 ] - [ 0.0002873500000000, 0.0002193000000000, -0.0002341700000000 ] - [ 0.0007520800000000, -0.0000901100000000, 0.0006120900000000 ] - [ 0.0012984200000000, -0.0001879800000000, -0.0009230400000000 ] - [ 0.0003570300000000, -0.0003125000000000, 0.0001181800000000 ] - [ -0.0004424500000000, 0.0002780900000000, 0.0000582600000000 ] - [ -0.0015913700000000, -0.0021582200000000, 0.0002958900000000 ] - [ 0.0000217400000000, -0.0002942600000000, -0.0002150400000000 ] - [ -0.0004321400000000, 0.0003512400000000, 0.0000411100000000 ] - [ 0.0488932600000000, 0.0524791800000000, -0.0159901000000000 ] - [ 0.0000480400000000, 0.0002604100000000, 0.0001684500000000 ] - [ 0.0015341200000000, -0.0009850800000000, -0.0007637300000000 ] - [ -0.0011512700000000, -0.0002868100000000, 0.0005185200000000 ] - [ 0.0005335500000000, 0.0005017300000000, -0.0000436200000000 ] - [ -0.0618725000000000, -0.0630576400000000, 0.0173545400000000 ] - [ 0.0000666300000000, -0.0001601900000000, 0.0000612200000000 ] - [ -0.0049098600000000, -0.0027944300000000, 0.0006534300000000 ] - [ 0.0000418700000000, 0.0001346300000000, 0.0001987900000000 ] - [ 0.0019983700000000, 0.0009750100000000, 0.0002365800000000 ] - [ 0.0000311300000000, 0.0000700600000000, -0.0000241000000000 ] - [ -0.0006910800000000, 0.0001305600000000, -0.0000180400000000 ] - [ 0.0004391700000000, -0.0004717100000000, 0.0003785000000000 ] - [ -0.0004608500000000, 0.0001037400000000, -0.0000495200000000 ] - [ 0.0000765200000000, -0.0000651900000000, -0.0000449700000000 ] - [ 0.0001888900000000, -0.0001981500000000, -0.0000780600000000 ] - [ -0.0001228600000000, 0.0001361300000000, -0.0000519200000000 ] - [ -0.0014799000000000, 0.0051019500000000, -0.0030540000000000 ] - [ -0.0000645800000000, -0.0001895600000000, -0.0004108600000000 ] - [ 0.0000647200000000, -0.0002188700000000, -0.0001454300000000 ] - [ 0.0007055700000000, 0.0006000900000000, 0.0000465400000000 ] - [ -0.0001402100000000, -0.0001828700000000, 0.0002242000000000 ] - [ 0.0002394900000000, 0.0001687300000000, -0.0001160200000000 ] - [ 0.0060108400000000, 0.0122255900000000, -0.0018431400000000 ] - [ -0.0002327500000000, -0.0002996700000000, -0.0005522000000000 ] - [ 0.0002260300000000, 0.0004531300000000, -0.0000731100000000 ] - [ -0.0001935200000000, -0.0001184800000000, -0.0001245100000000 ] - [ 0.0005020000000000, 0.0017404700000000, 0.0000228800000000 ] - [ -0.0002282900000000, -0.0001574500000000, -0.0000444900000000 ] - [ -0.0000231600000000, -0.0000111300000000, 0.0002558700000000 ] - [ -0.0000186500000000, 0.0002378500000000, 0.0004349300000000 ] - [ -0.0003194100000000, -0.0000405200000000, 0.0000799800000000 ] - [ 0.0005347600000000, 0.0002440400000000, 0.0001125600000000 ] - [ 0.0000208400000000, 0.0000181700000000, -0.0001316100000000 ] - [ -0.0001743300000000, 0.0001744400000000, 0.0001779800000000 ] - [ -0.0002091000000000, 0.0002312500000000, -0.0008610400000000 ] - [ -0.0000405600000000, -0.0001048700000000, -0.0000802300000000 ] - [ -0.0000906200000000, 0.0001233600000000, -0.0002730500000000 ] - [ 0.0002473500000000, -0.0000029400000000, -0.0005002700000000 ] - [ 0.0004899000000000, 0.0001400600000000, -0.0001224300000000 ] - [ 0.0003832600000000, 0.0000862500000000, 0.0001998100000000 ] - [ -0.0000703100000000, -0.0001365100000000, 0.0003675400000000 ] - [ -0.0008381400000000, 0.0007231400000000, 0.0003121700000000 ] - [ -0.0002052200000000, 0.0001915000000000, 0.0002347000000000 ] - [ 0.0000894500000000, -0.0001507500000000, 0.0001115300000000 ] - [ -0.0002183400000000, 0.0001219300000000, 0.0001317500000000 ] - [ 0.0002974700000000, -0.0001549800000000, -0.0002910200000000 ] - [ 0.0007510400000000, 0.0002760200000000, -0.0000340700000000 ] - [ -0.0003257700000000, 0.0012293700000000, -0.0004350600000000 ] - [ -0.0000163100000000, 0.0000520800000000, -0.0000725500000000 ] - [ 0.0003096000000000, -0.0001565100000000, -0.0000084400000000 ] - [ -0.0001042400000000, 0.0001485800000000, -0.0002075800000000 ]- atom: 38 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ -0.0002069600000000, 0.0002714100000000, 0.0002754200000000 ] - [ -0.0000343700000000, -0.0000592200000000, -0.0001106300000000 ] - [ 0.0000253500000000, 0.0000110600000000, -0.0001497600000000 ] - [ 0.0002540900000000, 0.0001578600000000, -0.0002903500000000 ] - [ -0.0000868800000000, 0.0000908900000000, 0.0001788400000000 ] - [ -0.0039630900000000, 0.0004150400000000, -0.0042180800000000 ] - [ -0.0022357800000000, -0.0001974600000000, 0.0008990200000000 ] - [ -0.0000176300000000, -0.0001165700000000, 0.0001797700000000 ] - [ -0.0009018300000000, -0.0001473500000000, -0.0008011300000000 ] - [ 0.0000193900000000, -0.0000318700000000, 0.0002505900000000 ] - [ -0.0000481000000000, -0.0000164800000000, 0.0000916800000000 ] - [ 0.0001355500000000, 0.0002270300000000, -0.0000897700000000 ] - [ -0.0031034900000000, 0.0022225200000000, 0.0016847400000000 ] - [ -0.0002055100000000, -0.0001929600000000, 0.0000152800000000 ] - [ 0.0010483600000000, -0.0003803500000000, -0.0000519800000000 ] - [ -0.0001975600000000, 0.0000256400000000, 0.0002596600000000 ] - [ 0.0004012900000000, -0.0001333500000000, -0.0004773500000000 ] - [ -0.0004024300000000, -0.0002800400000000, 0.0002834000000000 ] - [ 0.0004577000000000, 0.0006773500000000, -0.0001394500000000 ] - [ 0.0000749000000000, 0.0000646800000000, -0.0003275400000000 ] - [ -0.0012434700000000, 0.0037851100000000, -0.0013454200000000 ] - [ 0.0000647300000000, -0.0001026400000000, -0.0003756900000000 ] - [ -0.0003947400000000, -0.0001640500000000, 0.0000938000000000 ] - [ 0.0013727800000000, 0.0008378200000000, -0.0001314600000000 ] - [ 0.0000903700000000, 0.0002689300000000, -0.0005758600000000 ] - [ -0.0006724400000000, -0.0003621800000000, -0.0009786800000000 ] - [ -0.0012170400000000, 0.0006325600000000, 0.0005616000000000 ] - [ 0.0002945700000000, -0.0003451000000000, -0.0001293500000000 ] - [ 0.0003581700000000, -0.0007305100000000, 0.0003016300000000 ] - [ 0.0009466100000000, 0.0015158300000000, -0.0002900400000000 ] - [ -0.0004008900000000, -0.0001943900000000, 0.0010273100000000 ] - [ -0.0002191100000000, 0.0003052600000000, -0.0000317800000000 ] - [ -0.0481113600000000, -0.0505630300000000, 0.0155822800000000 ] - [ -0.0001366400000000, 0.0001869200000000, 0.0001919200000000 ] - [ -0.0011409600000000, 0.0004968000000000, -0.0000397400000000 ] - [ 0.0007781900000000, 0.0007808300000000, 0.0002872100000000 ] - [ -0.0005233600000000, -0.0003359000000000, 0.0000266000000000 ] - [ 0.0614419000000000, 0.0612926300000000, -0.0170086100000000 ] - [ 0.0000502100000000, -0.0001738700000000, 0.0003755200000000 ] - [ 0.0048663400000000, 0.0025680300000000, -0.0006176600000000 ] - [ 0.0001125900000000, 0.0001723800000000, 0.0002098400000000 ] - [ -0.0017569400000000, -0.0006364400000000, -0.0003262200000000 ] - [ 0.0001706100000000, 0.0001456100000000, 0.0001955400000000 ] - [ 0.0008596500000000, -0.0000777900000000, -0.0001151800000000 ] - [ -0.0002879200000000, 0.0001671300000000, 0.0000300700000000 ] - [ 0.0004246500000000, -0.0002419800000000, -0.0001109200000000 ] - [ -0.0000639800000000, -0.0001027600000000, 0.0000284700000000 ] - [ 0.0000722700000000, -0.0001460500000000, -0.0000083900000000 ] - [ -0.0001392500000000, 0.0002097600000000, 0.0001399900000000 ] - [ 0.0010155900000000, -0.0047631100000000, 0.0031842000000000 ] - [ 0.0006405300000000, 0.0001687300000000, 0.0004048900000000 ] - [ 0.0000197600000000, -0.0002176600000000, -0.0000417400000000 ] - [ -0.0009127100000000, -0.0003898500000000, -0.0002165900000000 ] - [ 0.0001808000000000, 0.0000470700000000, -0.0000632800000000 ] - [ 0.0001745900000000, 0.0001647000000000, -0.0000350800000000 ] - [ -0.0056814300000000, -0.0122529400000000, 0.0020342500000000 ] - [ 0.0000804000000000, -0.0000049700000000, 0.0001450000000000 ] - [ -0.0001479600000000, -0.0000139000000000, -0.0001136400000000 ] - [ -0.0001672900000000, -0.0000045400000000, -0.0001257300000000 ] - [ -0.0006502400000000, -0.0019288200000000, -0.0004771400000000 ] - [ -0.0001852200000000, -0.0001759800000000, 0.0001963800000000 ] - [ -0.0001586200000000, 0.0000575000000000, -0.0001299100000000 ] - [ 0.0001335800000000, 0.0000963500000000, -0.0000024500000000 ] - [ -0.0002536000000000, 0.0000634900000000, -0.0000770400000000 ] - [ -0.0003964000000000, -0.0000562300000000, 0.0003445600000000 ] - [ 0.0001599300000000, -0.0000638000000000, 0.0000038400000000 ] - [ 0.0000561100000000, 0.0001590000000000, -0.0006150700000000 ] - [ 0.0001735600000000, -0.0000940700000000, 0.0007057600000000 ] - [ -0.0001604900000000, -0.0001103100000000, -0.0000893200000000 ] - [ -0.0000528500000000, 0.0000668500000000, -0.0001820300000000 ] - [ -0.0003664600000000, -0.0003315600000000, 0.0000668200000000 ] - [ -0.0005799800000000, -0.0005815500000000, 0.0003138000000000 ] - [ -0.0005680700000000, -0.0001334000000000, -0.0000730200000000 ] - [ 0.0002148100000000, -0.0000524500000000, 0.0000863700000000 ] - [ 0.0006862000000000, -0.0004153100000000, -0.0007175900000000 ] - [ 0.0001219800000000, 0.0002454600000000, -0.0000485100000000 ] - [ -0.0006650300000000, 0.0001285300000000, -0.0001065500000000 ] - [ 0.0005802700000000, -0.0002463500000000, 0.0001216700000000 ] - [ -0.0006624700000000, 0.0002815500000000, 0.0000422900000000 ] - [ -0.0003403000000000, -0.0006119500000000, -0.0001172600000000 ] - [ 0.0009039000000000, -0.0012135300000000, 0.0004292300000000 ] - [ 0.0000028000000000, 0.0001160500000000, 0.0000905500000000 ] - [ -0.0002721900000000, 0.0002949900000000, 0.0001714800000000 ] - [ 0.0004679600000000, -0.0000247000000000, 0.0004616900000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001185100000000, -0.0001224600000000, -0.0012304100000000 ] - [ 0.0000483000000000, -0.0000874600000000, 0.0000507500000000 ] - [ -0.0000709500000000, 0.0002082900000000, 0.0001136200000000 ] - [ 0.0001086400000000, 0.0000340000000000, 0.0000837300000000 ] - [ -0.0003457500000000, 0.0000590200000000, 0.0001566000000000 ] - [ 0.0004032800000000, 0.0005322300000000, -0.0006133100000000 ] - [ 0.0005367000000000, 0.0007748100000000, -0.0004680000000000 ] - [ -0.0002236200000000, -0.0000982700000000, 0.0000410700000000 ] - [ 0.0004046500000000, 0.0003779100000000, -0.0009397000000000 ] - [ -0.0003454000000000, 0.0002744000000000, 0.0000851700000000 ] - [ 0.0000097900000000, 0.0000072800000000, 0.0003285900000000 ] - [ 0.0001266500000000, 0.0002149400000000, -0.0000095000000000 ] - [ -0.0029709400000000, 0.0037383900000000, 0.0016234800000000 ] - [ -0.0000343800000000, -0.0002840200000000, 0.0002246100000000 ] - [ -0.0005250400000000, -0.0000354300000000, -0.0001307200000000 ] - [ -0.0004075400000000, -0.0002304600000000, 0.0000795700000000 ] - [ 0.0001181000000000, -0.0000254400000000, 0.0003846100000000 ] - [ 0.0006553300000000, -0.0001756500000000, 0.0007475900000000 ] - [ -0.0007315700000000, -0.0017645800000000, 0.0003466900000000 ] - [ -0.0001105800000000, -0.0001337400000000, -0.0000577300000000 ] - [ -0.0023725800000000, -0.0044778700000000, 0.0013720600000000 ] - [ 0.0007877600000000, 0.0003816300000000, 0.0004976100000000 ] - [ -0.0003864800000000, -0.0000664500000000, 0.0001996700000000 ] - [ -0.0015434500000000, -0.0008602000000000, -0.0000185100000000 ] - [ 0.0002660300000000, 0.0001888100000000, -0.0001675900000000 ] - [ 0.0002068500000000, 0.0005354900000000, 0.0008684200000000 ] - [ 0.0012755900000000, -0.0000474400000000, -0.0002974800000000 ] - [ 0.0003590300000000, -0.0003230500000000, 0.0001453300000000 ] - [ -0.0001738900000000, -0.0001557700000000, -0.0000410200000000 ] - [ -0.0013150200000000, -0.0004759400000000, -0.0001431000000000 ] - [ -0.0000243300000000, -0.0002266100000000, 0.0003912200000000 ] - [ -0.0003643700000000, 0.0002940200000000, 0.0000906100000000 ] - [ 0.0531243800000000, 0.1229110600000000, -0.0306889900000000 ] - [ 0.0000960800000000, 0.0003739300000000, 0.0003269000000000 ] - [ 0.0011893900000000, -0.0004879900000000, -0.0011427700000000 ] - [ -0.0010896500000000, -0.0009465100000000, 0.0007114600000000 ] - [ 0.0008073900000000, 0.0004617800000000, 0.0000371300000000 ] - [ -0.0638450100000000, -0.1475072600000000, 0.0382998400000000 ] - [ 0.0000925400000000, -0.0001755000000000, 0.0000001800000000 ] - [ 0.0041173500000000, 0.0122240500000000, -0.0022887900000000 ] - [ 0.0000294700000000, 0.0001025000000000, 0.0000592400000000 ] - [ 0.0009531500000000, -0.0001031500000000, 0.0002084400000000 ] - [ 0.0000436800000000, 0.0000698300000000, -0.0000628000000000 ] - [ -0.0001636000000000, 0.0016447500000000, 0.0006186100000000 ] - [ 0.0000757400000000, -0.0000930300000000, 0.0004502000000000 ] - [ -0.0004111300000000, 0.0002388400000000, -0.0001831300000000 ] - [ 0.0000666300000000, -0.0000602900000000, -0.0000683100000000 ] - [ 0.0001629800000000, -0.0001758700000000, -0.0000833900000000 ] - [ -0.0001005800000000, 0.0001319600000000, -0.0000841400000000 ] - [ 0.0042387000000000, 0.0031554200000000, -0.0047976700000000 ] - [ 0.0001230600000000, -0.0004728500000000, -0.0004819100000000 ] - [ 0.0000255400000000, -0.0002021300000000, -0.0001684600000000 ] - [ 0.0002938000000000, 0.0001447300000000, 0.0000112600000000 ] - [ -0.0002004200000000, -0.0003038300000000, 0.0001467800000000 ] - [ 0.0002235600000000, 0.0001814200000000, -0.0001685600000000 ] - [ 0.0063569800000000, 0.0032038300000000, -0.0010846900000000 ] - [ -0.0002077000000000, -0.0004094400000000, -0.0006558100000000 ] - [ 0.0001369900000000, 0.0008350000000000, 0.0000155200000000 ] - [ -0.0002237500000000, -0.0001673300000000, -0.0002585700000000 ] - [ -0.0001549600000000, 0.0013498700000000, 0.0002540000000000 ] - [ -0.0002162500000000, -0.0001501600000000, -0.0000846200000000 ] - [ -0.0001336300000000, 0.0000345400000000, 0.0000884900000000 ] - [ -0.0000541300000000, 0.0005009200000000, 0.0005661000000000 ] - [ -0.0003569000000000, -0.0001002300000000, 0.0000233800000000 ] - [ 0.0006788900000000, 0.0006918900000000, 0.0001679600000000 ] - [ 0.0000500800000000, 0.0000113800000000, -0.0001643900000000 ] - [ -0.0003285900000000, -0.0001403800000000, -0.0002624200000000 ] - [ 0.0001442600000000, -0.0000938600000000, -0.0007709500000000 ] - [ -0.0000973800000000, -0.0001065200000000, -0.0001281800000000 ] - [ -0.0001113100000000, 0.0001062600000000, -0.0003161800000000 ] - [ 0.0002276000000000, 0.0000830900000000, -0.0005448900000000 ] - [ 0.0009458000000000, 0.0005148000000000, -0.0004657300000000 ] - [ 0.0004104300000000, 0.0003272600000000, 0.0003030400000000 ] - [ -0.0000584500000000, -0.0001639000000000, 0.0001771700000000 ] - [ -0.0007198700000000, 0.0019393800000000, -0.0005355800000000 ] - [ -0.0001049500000000, 0.0001095400000000, 0.0001466800000000 ] - [ -0.0001472300000000, 0.0001137300000000, 0.0001539800000000 ] - [ 0.0001483400000000, 0.0007606400000000, -0.0000460500000000 ] - [ -0.0001182200000000, 0.0000280500000000, -0.0000266300000000 ] - [ 0.0007705300000000, 0.0000153500000000, 0.0000206600000000 ] - [ -0.0006034000000000, 0.0012319700000000, -0.0002213500000000 ] - [ 0.0000012700000000, 0.0000474500000000, -0.0001057800000000 ] - [ 0.0000639800000000, 0.0002578700000000, 0.0001062900000000 ] - [ 0.0003692300000000, 0.0000267900000000, -0.0007165000000000 ]- atom: 38 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004939900000000, 0.0002999800000000, 0.0009099700000000 ] - [ -0.0000402600000000, -0.0000730300000000, -0.0001404600000000 ] - [ 0.0000621400000000, -0.0000475500000000, -0.0000225800000000 ] - [ 0.0002601700000000, 0.0001835100000000, -0.0003135400000000 ] - [ -0.0002670400000000, 0.0001109300000000, 0.0001596000000000 ] - [ -0.0000325600000000, -0.0007547000000000, 0.0003850800000000 ] - [ -0.0007682300000000, -0.0003481400000000, 0.0006131000000000 ] - [ -0.0001458500000000, -0.0001181600000000, 0.0001884600000000 ] - [ -0.0003792700000000, -0.0003897200000000, 0.0005715200000000 ] - [ -0.0000249100000000, -0.0000566600000000, 0.0001439000000000 ] - [ -0.0000368700000000, -0.0000088700000000, 0.0000323300000000 ] - [ 0.0001171300000000, 0.0002191800000000, -0.0001426100000000 ] - [ 0.0028830900000000, -0.0037188400000000, -0.0012294600000000 ] - [ -0.0002094000000000, -0.0001498600000000, -0.0000725200000000 ] - [ 0.0007639000000000, -0.0003974400000000, -0.0000214000000000 ] - [ -0.0002048600000000, 0.0000597100000000, 0.0002373500000000 ] - [ 0.0004934500000000, -0.0001450100000000, -0.0006988300000000 ] - [ -0.0006615100000000, 0.0000213300000000, -0.0006554100000000 ] - [ 0.0007402100000000, 0.0019178500000000, -0.0004388100000000 ] - [ 0.0001379000000000, 0.0001353900000000, -0.0003030600000000 ] - [ 0.0032412100000000, 0.0042593000000000, -0.0014094100000000 ] - [ 0.0001330200000000, -0.0001859100000000, -0.0005626100000000 ] - [ -0.0005321900000000, -0.0001288600000000, -0.0001279500000000 ] - [ 0.0006233900000000, 0.0010532700000000, 0.0000882300000000 ] - [ 0.0001161900000000, 0.0003023500000000, -0.0006478800000000 ] - [ -0.0001176100000000, -0.0009887900000000, -0.0012237100000000 ] - [ -0.0011901900000000, 0.0004908800000000, -0.0000430500000000 ] - [ 0.0002944200000000, -0.0003345200000000, -0.0001573000000000 ] - [ 0.0000884700000000, -0.0002815000000000, 0.0003960500000000 ] - [ 0.0006582000000000, -0.0002065500000000, 0.0001623500000000 ] - [ -0.0003564500000000, -0.0002652800000000, 0.0004256200000000 ] - [ -0.0002903500000000, 0.0003631200000000, -0.0000779800000000 ] - [ -0.0492380400000000, -0.1168775500000000, 0.0288076900000000 ] - [ -0.0001847400000000, 0.0000698200000000, 0.0000309100000000 ] - [ -0.0008230600000000, -0.0000060700000000, 0.0003167400000000 ] - [ 0.0007055500000000, 0.0014368400000000, 0.0001049400000000 ] - [ -0.0007988500000000, -0.0002889400000000, -0.0000562000000000 ] - [ 0.0602273600000000, 0.1415095700000000, -0.0362725600000000 ] - [ 0.0000228300000000, -0.0001592700000000, 0.0004442100000000 ] - [ -0.0040837800000000, -0.0120729600000000, 0.0022686600000000 ] - [ 0.0001250800000000, 0.0002057300000000, 0.0003499000000000 ] - [ -0.0006720400000000, 0.0004639600000000, -0.0002944000000000 ] - [ 0.0001558900000000, 0.0001454500000000, 0.0002330800000000 ] - [ 0.0003518500000000, -0.0016064400000000, -0.0007385300000000 ] - [ 0.0000777600000000, -0.0002190400000000, -0.0000372500000000 ] - [ 0.0003689300000000, -0.0003732100000000, 0.0000176100000000 ] - [ -0.0000529900000000, -0.0001083800000000, 0.0000506600000000 ] - [ 0.0001010900000000, -0.0001727100000000, -0.0000051100000000 ] - [ -0.0001634000000000, 0.0002173200000000, 0.0001725800000000 ] - [ -0.0046040300000000, -0.0028333900000000, 0.0048708200000000 ] - [ 0.0004482800000000, 0.0004499200000000, 0.0004666700000000 ] - [ 0.0000625200000000, -0.0002376300000000, -0.0000193400000000 ] - [ -0.0004904900000000, 0.0000761400000000, -0.0001819000000000 ] - [ 0.0002399600000000, 0.0001683100000000, 0.0000163300000000 ] - [ 0.0001921700000000, 0.0001510900000000, 0.0000143800000000 ] - [ -0.0060508000000000, -0.0034162100000000, 0.0012545500000000 ] - [ 0.0000537200000000, 0.0001034300000000, 0.0002441700000000 ] - [ -0.0000439600000000, -0.0003914800000000, -0.0002030900000000 ] - [ -0.0001371100000000, 0.0000451300000000, 0.0000091600000000 ] - [ 0.0000172600000000, -0.0015456200000000, -0.0007110600000000 ] - [ -0.0001985800000000, -0.0001824800000000, 0.0002373200000000 ] - [ -0.0000432000000000, 0.0000113000000000, 0.0000396600000000 ] - [ 0.0001698300000000, -0.0001632800000000, -0.0001180600000000 ] - [ -0.0002152300000000, 0.0001240500000000, -0.0000185600000000 ] - [ -0.0005368700000000, -0.0004984400000000, 0.0002907400000000 ] - [ 0.0001252600000000, -0.0000557900000000, 0.0000339100000000 ] - [ 0.0002122500000000, 0.0004757200000000, -0.0001813000000000 ] - [ -0.0001827700000000, 0.0002343900000000, 0.0006063300000000 ] - [ -0.0001012000000000, -0.0001091300000000, -0.0000420800000000 ] - [ -0.0000320800000000, 0.0000860400000000, -0.0001410600000000 ] - [ -0.0003425100000000, -0.0004177600000000, 0.0001011000000000 ] - [ -0.0010307900000000, -0.0009574200000000, 0.0006501600000000 ] - [ -0.0005848100000000, -0.0003718700000000, -0.0001724000000000 ] - [ 0.0002010100000000, -0.0000264100000000, 0.0002780300000000 ] - [ 0.0005643800000000, -0.0016384200000000, 0.0001112900000000 ] - [ 0.0000169600000000, 0.0003296600000000, 0.0000403500000000 ] - [ -0.0004252500000000, -0.0001389600000000, -0.0001474600000000 ] - [ 0.0002144400000000, -0.0008778200000000, 0.0002914400000000 ] - [ -0.0002403100000000, 0.0000900300000000, -0.0002240400000000 ] - [ -0.0003550600000000, -0.0003433800000000, -0.0001757900000000 ] - [ 0.0011790100000000, -0.0012140600000000, 0.0002122200000000 ] - [ -0.0000144900000000, 0.0001213600000000, 0.0001231600000000 ] - [ -0.0000271800000000, -0.0001283900000000, 0.0000574400000000 ] - [ -0.0000090800000000, 0.0000998000000000, 0.0009689600000000 ]- atom: 38 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ -0.0000222000000000, -0.0003901200000000, -0.0000706700000000 ] - [ -0.0000222200000000, -0.0000874200000000, -0.0003804800000000 ] - [ 0.0000941100000000, -0.0000278600000000, -0.0001645000000000 ] - [ 0.0003754800000000, 0.0001507700000000, -0.0004241400000000 ] - [ -0.0003071800000000, 0.0001330000000000, 0.0001186700000000 ] - [ 0.0030192500000000, -0.0008875400000000, 0.0036903600000000 ] - [ -0.0012157700000000, -0.0001483400000000, 0.0016577300000000 ] - [ -0.0001682100000000, -0.0001584400000000, 0.0000853400000000 ] - [ 0.0010791300000000, 0.0003284900000000, 0.0044584200000000 ] - [ -0.0001285800000000, 0.0000171000000000, 0.0001266700000000 ] - [ -0.0000210100000000, 0.0000033400000000, -0.0001049000000000 ] - [ 0.0000744600000000, 0.0002200700000000, -0.0002169400000000 ] - [ -0.0021348800000000, 0.0015818900000000, 0.0016523700000000 ] - [ -0.0002034300000000, -0.0001599600000000, -0.0001113300000000 ] - [ 0.0003410200000000, -0.0002414800000000, 0.0001463300000000 ] - [ -0.0003484400000000, -0.0000243700000000, 0.0001723500000000 ] - [ 0.0006164300000000, -0.0001233100000000, -0.0008081900000000 ] - [ -0.0006003700000000, 0.0002491200000000, 0.0000754000000000 ] - [ 0.0001936200000000, 0.0005342700000000, -0.0001388000000000 ] - [ 0.0001346800000000, 0.0001073800000000, -0.0003510300000000 ] - [ 0.0016933400000000, 0.0032621500000000, 0.0036282600000000 ] - [ 0.0000994800000000, -0.0002103800000000, -0.0011270900000000 ] - [ -0.0006893400000000, -0.0001505900000000, -0.0005617000000000 ] - [ 0.0001285300000000, 0.0003879600000000, 0.0007816000000000 ] - [ 0.0000592500000000, 0.0003451400000000, -0.0008856800000000 ] - [ 0.0001455000000000, -0.0000427400000000, -0.0010995200000000 ] - [ -0.0015107900000000, 0.0006513900000000, 0.0011294900000000 ] - [ 0.0003903600000000, -0.0004005400000000, -0.0003566700000000 ] - [ 0.0002534500000000, -0.0006579500000000, 0.0005743900000000 ] - [ 0.0000576400000000, -0.0003132800000000, 0.0004929500000000 ] - [ -0.0003988200000000, -0.0002045100000000, -0.0000246700000000 ] - [ -0.0002835900000000, 0.0003206200000000, -0.0002307900000000 ] - [ -0.0246029200000000, -0.0386756300000000, 0.0334115700000000 ] - [ -0.0007245800000000, 0.0001820200000000, -0.0003864800000000 ] - [ -0.0001302600000000, -0.0000361200000000, 0.0002743600000000 ] - [ 0.0004019000000000, 0.0009409000000000, -0.0000611200000000 ] - [ -0.0002055100000000, -0.0000292300000000, -0.0002871500000000 ] - [ 0.0290190700000000, 0.0487454500000000, -0.0438166100000000 ] - [ 0.0000279200000000, -0.0001722300000000, 0.0006124500000000 ] - [ 0.0013995000000000, 0.0009542300000000, -0.0043882900000000 ] - [ 0.0002111300000000, 0.0002510800000000, 0.0006196700000000 ] - [ 0.0000198000000000, 0.0002471700000000, -0.0005413900000000 ] - [ 0.0001447200000000, 0.0002065700000000, 0.0003356900000000 ] - [ 0.0003540200000000, -0.0006419700000000, -0.0007208800000000 ] - [ -0.0001443100000000, 0.0001199600000000, -0.0001610900000000 ] - [ 0.0003022300000000, -0.0000147200000000, -0.0000348800000000 ] - [ -0.0000629100000000, -0.0001051800000000, 0.0001248000000000 ] - [ 0.0000842500000000, -0.0001218000000000, 0.0000789000000000 ] - [ -0.0002250500000000, 0.0002995100000000, 0.0002745400000000 ] - [ -0.0073296000000000, -0.0128195500000000, 0.0047047200000000 ] - [ 0.0003445400000000, 0.0000880900000000, 0.0011911400000000 ] - [ 0.0000739600000000, -0.0002290800000000, 0.0000550500000000 ] - [ -0.0004012000000000, 0.0001260900000000, -0.0003526100000000 ] - [ 0.0005284600000000, -0.0001368400000000, 0.0005042900000000 ] - [ 0.0001965300000000, 0.0001515600000000, 0.0001554700000000 ] - [ 0.0010850800000000, -0.0001546800000000, -0.0040998700000000 ] - [ -0.0000744000000000, -0.0001236800000000, 0.0003535500000000 ] - [ 0.0000856200000000, 0.0001092400000000, -0.0003524100000000 ] - [ -0.0000128700000000, -0.0000701900000000, 0.0000295100000000 ] - [ -0.0002461500000000, -0.0006950900000000, -0.0006189400000000 ] - [ -0.0002386000000000, -0.0001434300000000, 0.0004058600000000 ] - [ 0.0000544900000000, -0.0000582300000000, 0.0002329400000000 ] - [ 0.0002069800000000, -0.0000995000000000, -0.0002333400000000 ] - [ -0.0000601300000000, 0.0001112900000000, 0.0002765900000000 ] - [ -0.0003142300000000, -0.0000448400000000, 0.0002313100000000 ] - [ 0.0001524200000000, -0.0001328400000000, 0.0001587500000000 ] - [ 0.0001859800000000, 0.0003546900000000, 0.0001345600000000 ] - [ -0.0001409600000000, -0.0000804100000000, 0.0004902200000000 ] - [ -0.0000562200000000, -0.0000735300000000, 0.0000577300000000 ] - [ 0.0000198100000000, 0.0000253800000000, -0.0000226700000000 ] - [ -0.0002440600000000, -0.0002441300000000, -0.0001291200000000 ] - [ -0.0004666400000000, -0.0007030700000000, 0.0003351200000000 ] - [ -0.0006431400000000, -0.0003666100000000, -0.0002118300000000 ] - [ 0.0002421300000000, -0.0001189300000000, 0.0004292800000000 ] - [ 0.0003423600000000, 0.0003858700000000, -0.0012229300000000 ] - [ 0.0000424300000000, 0.0002838000000000, 0.0001958700000000 ] - [ -0.0004937900000000, 0.0001047300000000, -0.0002366500000000 ] - [ 0.0004278400000000, -0.0002462600000000, 0.0001196200000000 ] - [ -0.0004702900000000, 0.0003236600000000, -0.0000890900000000 ] - [ -0.0000409800000000, -0.0003425700000000, -0.0004686000000000 ] - [ 0.0009943000000000, -0.0016285500000000, 0.0001350900000000 ] - [ -0.0000973800000000, 0.0001038400000000, 0.0002222400000000 ] - [ -0.0002601500000000, 0.0002278100000000, 0.0000214800000000 ] - [ 0.0000379900000000, -0.0000979000000000, 0.0005303300000000 ]- atom: 38 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0006418800000000, 0.0005474500000000, -0.0002444400000000 ] - [ 0.0000269200000000, -0.0000742500000000, 0.0002889800000000 ] - [ -0.0000989100000000, 0.0001890300000000, 0.0002527800000000 ] - [ -0.0000048700000000, 0.0000674900000000, 0.0001921200000000 ] - [ -0.0003152800000000, 0.0000288100000000, 0.0002012000000000 ] - [ -0.0025595700000000, 0.0006310500000000, -0.0038319900000000 ] - [ 0.0010273000000000, 0.0005575900000000, -0.0015244300000000 ] - [ -0.0002013900000000, -0.0000592800000000, 0.0001447900000000 ] - [ -0.0011294100000000, -0.0003707800000000, -0.0049515200000000 ] - [ -0.0002416600000000, 0.0001999200000000, 0.0001023500000000 ] - [ -0.0000052000000000, -0.0000060600000000, 0.0004650500000000 ] - [ 0.0001710300000000, 0.0002060500000000, 0.0000594400000000 ] - [ 0.0020353300000000, -0.0015370500000000, -0.0012674700000000 ] - [ -0.0000433100000000, -0.0002652300000000, 0.0002666800000000 ] - [ -0.0000906700000000, -0.0001848300000000, -0.0003018000000000 ] - [ -0.0002739800000000, -0.0001362400000000, 0.0001474800000000 ] - [ 0.0000062000000000, -0.0000383100000000, 0.0004870300000000 ] - [ 0.0005926000000000, -0.0004106000000000, 0.0000098000000000 ] - [ -0.0001795500000000, -0.0003621700000000, 0.0000377400000000 ] - [ -0.0001070700000000, -0.0001038300000000, -0.0000121000000000 ] - [ -0.0007647800000000, -0.0034697500000000, -0.0037172000000000 ] - [ 0.0008185800000000, 0.0004031700000000, 0.0010601900000000 ] - [ -0.0002345400000000, -0.0000452300000000, 0.0006204100000000 ] - [ -0.0010408200000000, -0.0001903300000000, -0.0007213400000000 ] - [ 0.0003240300000000, 0.0001457900000000, 0.0000745300000000 ] - [ -0.0000553600000000, -0.0004117500000000, 0.0007245100000000 ] - [ 0.0015997800000000, -0.0001930300000000, -0.0015108300000000 ] - [ 0.0002633800000000, -0.0002687500000000, 0.0003324200000000 ] - [ -0.0003363400000000, 0.0001936500000000, -0.0002036400000000 ] - [ -0.0007081900000000, -0.0003599700000000, -0.0004665400000000 ] - [ 0.0000126600000000, -0.0002856700000000, 0.0008318500000000 ] - [ -0.0003698300000000, 0.0003477800000000, 0.0002508300000000 ] - [ 0.0254513800000000, 0.0398828900000000, -0.0331836700000000 ] - [ 0.0006318400000000, 0.0002769300000000, 0.0007535600000000 ] - [ 0.0005068100000000, -0.0004520300000000, -0.0010735700000000 ] - [ -0.0007797500000000, -0.0004468600000000, 0.0008650700000000 ] - [ 0.0002038500000000, 0.0001907300000000, 0.0002691100000000 ] - [ -0.0295022900000000, -0.0496449900000000, 0.0438125700000000 ] - [ 0.0000840500000000, -0.0001617200000000, -0.0001609200000000 ] - [ -0.0014266900000000, -0.0011679900000000, 0.0044208800000000 ] - [ -0.0000685800000000, 0.0000406700000000, -0.0002139400000000 ] - [ 0.0002440100000000, 0.0000910900000000, 0.0004512700000000 ] - [ 0.0000591600000000, 0.0000023100000000, -0.0001653700000000 ] - [ -0.0001976700000000, 0.0006708600000000, 0.0005670200000000 ] - [ 0.0002821000000000, -0.0004079500000000, 0.0005645900000000 ] - [ -0.0003203900000000, -0.0001168300000000, -0.0001144400000000 ] - [ 0.0000656800000000, -0.0000568900000000, -0.0001396300000000 ] - [ 0.0001747300000000, -0.0002143300000000, -0.0001669400000000 ] - [ -0.0000356300000000, 0.0000391400000000, -0.0001839300000000 ] - [ 0.0070220900000000, 0.0133463100000000, -0.0046759400000000 ] - [ 0.0002258000000000, -0.0001084700000000, -0.0011679300000000 ] - [ 0.0000432100000000, -0.0002142700000000, -0.0002547200000000 ] - [ 0.0001968400000000, 0.0000815100000000, 0.0001846100000000 ] - [ -0.0005060300000000, 0.0000048200000000, -0.0003498400000000 ] - [ 0.0002111200000000, 0.0001928000000000, -0.0003145000000000 ] - [ -0.0009151400000000, -0.0001024800000000, 0.0042946900000000 ] - [ -0.0000674100000000, -0.0001676500000000, -0.0007557100000000 ] - [ 0.0000304400000000, 0.0003320400000000, 0.0001507300000000 ] - [ -0.0003298700000000, -0.0000753100000000, -0.0002848800000000 ] - [ 0.0001170900000000, 0.0004750900000000, 0.0001436100000000 ] - [ -0.0001691700000000, -0.0001998800000000, -0.0002449300000000 ] - [ -0.0002108000000000, 0.0000889200000000, -0.0000824200000000 ] - [ -0.0000929600000000, 0.0004303700000000, 0.0006754100000000 ] - [ -0.0005088100000000, -0.0000900800000000, -0.0002894900000000 ] - [ 0.0004381000000000, 0.0002501300000000, 0.0002438100000000 ] - [ 0.0000034700000000, 0.0001018900000000, -0.0003097000000000 ] - [ -0.0002965200000000, -0.0000181000000000, -0.0005802400000000 ] - [ 0.0001218900000000, 0.0002111500000000, -0.0006380300000000 ] - [ -0.0001464800000000, -0.0001338800000000, -0.0002249800000000 ] - [ -0.0001478900000000, 0.0001817500000000, -0.0004482200000000 ] - [ 0.0001292800000000, -0.0000908800000000, -0.0003152200000000 ] - [ 0.0003414900000000, 0.0002579300000000, -0.0001320500000000 ] - [ 0.0004865700000000, 0.0003369400000000, 0.0003655100000000 ] - [ -0.0001109600000000, -0.0000872600000000, 0.0000425500000000 ] - [ -0.0004871400000000, -0.0000867300000000, 0.0008284900000000 ] - [ -0.0001574200000000, 0.0001601700000000, 0.0000031200000000 ] - [ -0.0000792600000000, -0.0001247600000000, 0.0002230800000000 ] - [ -0.0000863300000000, 0.0001022200000000, 0.0001418100000000 ] - [ 0.0001237800000000, -0.0001745900000000, -0.0001670300000000 ] - [ 0.0004443800000000, -0.0000030900000000, 0.0003055000000000 ] - [ -0.0004277400000000, 0.0016490000000000, -0.0001177000000000 ] - [ 0.0000929900000000, 0.0000579900000000, -0.0002050200000000 ] - [ 0.0002749000000000, -0.0000963600000000, 0.0001303800000000 ] - [ 0.0003048900000000, 0.0002430200000000, -0.0002732900000000 ]- atom: 39 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0004026300000000, 0.0000753500000000, -0.0001035200000000 ] - [ -0.0005520200000000, -0.0000230500000000, -0.0001569200000000 ] - [ -0.0002114300000000, 0.0001794900000000, 0.0000829000000000 ] - [ 0.0017449200000000, 0.0016675100000000, 0.0006067800000000 ] - [ -0.0003753500000000, 0.0000714500000000, 0.0003886500000000 ] - [ 0.0002875500000000, -0.0000908700000000, -0.0000506700000000 ] - [ -0.0000204300000000, 0.0002125800000000, 0.0001295500000000 ] - [ -0.0002012600000000, -0.0000830700000000, 0.0003123500000000 ] - [ -0.0001866400000000, 0.0001067600000000, -0.0003162700000000 ] - [ 0.0061500300000000, 0.0066768000000000, 0.0031437900000000 ] - [ -0.0003684700000000, -0.0000674800000000, 0.0001090800000000 ] - [ 0.0000307100000000, 0.0002021500000000, -0.0000161900000000 ] - [ -0.0000397400000000, 0.0000506800000000, 0.0001331900000000 ] - [ 0.0005199600000000, -0.0004491300000000, 0.0001845600000000 ] - [ 0.0001486800000000, -0.0001776000000000, -0.0000688200000000 ] - [ 0.0008308000000000, -0.0006276600000000, -0.0004611400000000 ] - [ 0.0028623900000000, -0.0024414000000000, 0.0007396100000000 ] - [ -0.0001692500000000, -0.0001753800000000, -0.0001217900000000 ] - [ -0.0000139900000000, 0.0000302700000000, -0.0000718100000000 ] - [ -0.0002179400000000, -0.0000723100000000, -0.0001290000000000 ] - [ 0.0006642100000000, -0.0001768000000000, 0.0003009700000000 ] - [ 0.0031314500000000, 0.0028397700000000, -0.0009805300000000 ] - [ -0.0028125800000000, -0.0010427500000000, 0.0018443900000000 ] - [ -0.0004228200000000, -0.0002876600000000, 0.0001061100000000 ] - [ 0.0240529200000000, 0.0000202300000000, -0.0208228100000000 ] - [ 0.0008026100000000, -0.0004096000000000, -0.0012632800000000 ] - [ -0.0006484900000000, -0.0004940600000000, -0.0003161400000000 ] - [ 0.0008622500000000, -0.0002120400000000, -0.0000428900000000 ] - [ -0.0001360100000000, -0.0002695900000000, 0.0001670800000000 ] - [ 0.0006826500000000, 0.0001020800000000, -0.0001815600000000 ] - [ 0.0000353300000000, -0.0004190000000000, 0.0009136900000000 ] - [ -0.0010177600000000, 0.0005230600000000, -0.0000555900000000 ] - [ 0.0004123800000000, 0.0003221200000000, 0.0001169100000000 ] - [ -0.0011232300000000, -0.0012135400000000, -0.0001993400000000 ] - [ 0.0002039100000000, -0.0002638400000000, -0.0001366500000000 ] - [ 0.0002256200000000, 0.0002951900000000, 0.0001522400000000 ] - [ -0.0001707700000000, 0.0001623600000000, 0.0001530000000000 ] - [ -0.0001199300000000, -0.0001383600000000, 0.0000177800000000 ] - [ -0.0344047100000000, -0.0035535800000000, 0.0199045700000000 ] - [ 0.0000139700000000, -0.0000855300000000, -0.0000421000000000 ] - [ 0.0005502300000000, 0.0006609300000000, -0.0000050700000000 ] - [ 0.0000136700000000, -0.0000970200000000, 0.0001762300000000 ] - [ -0.0003049300000000, -0.0001224800000000, 0.0001226900000000 ] - [ 0.0000078300000000, -0.0000134700000000, -0.0001782100000000 ] - [ 0.0000687300000000, -0.0001252900000000, 0.0001843900000000 ] - [ 0.0006277000000000, 0.0001569700000000, 0.0001881400000000 ] - [ 0.0003976100000000, 0.0000055500000000, -0.0001457800000000 ] - [ 0.0004363100000000, -0.0004594800000000, -0.0001717600000000 ] - [ -0.0002052700000000, 0.0002878400000000, 0.0001845300000000 ] - [ -0.0002199900000000, 0.0001905500000000, -0.0000533100000000 ] - [ 0.0000652500000000, -0.0001688800000000, 0.0001482900000000 ] - [ 0.0007801100000000, -0.0042306400000000, -0.0094612800000000 ] - [ -0.0009703700000000, 0.0002745000000000, -0.0000466400000000 ] - [ 0.0008807100000000, 0.0001315600000000, 0.0004580400000000 ] - [ 0.0004098600000000, 0.0000232900000000, -0.0001806800000000 ] - [ 0.0000479000000000, -0.0000828000000000, 0.0000391200000000 ] - [ -0.0002476300000000, -0.0002247000000000, 0.0012160600000000 ] - [ 0.0000589200000000, 0.0002243400000000, -0.0001797000000000 ] - [ 0.0000805800000000, 0.0002019800000000, -0.0000397600000000 ] - [ -0.0000731000000000, -0.0001198800000000, -0.0003166800000000 ] - [ -0.0002022000000000, -0.0003881800000000, 0.0002567900000000 ] - [ -0.0002226700000000, 0.0001914700000000, -0.0004266300000000 ] - [ 0.0000548400000000, 0.0001773100000000, 0.0000197400000000 ] - [ 0.0009427400000000, 0.0011678400000000, -0.0003764800000000 ] - [ -0.0000920800000000, 0.0001565000000000, 0.0002782300000000 ] - [ -0.0013168000000000, -0.0014095000000000, 0.0117796900000000 ] - [ -0.0001230100000000, 0.0002120400000000, -0.0005136200000000 ] - [ 0.0002187300000000, 0.0000794600000000, 0.0004913200000000 ] - [ 0.0006994000000000, -0.0004029000000000, -0.0005999300000000 ] - [ -0.0020350500000000, 0.0023760300000000, -0.0058730100000000 ] - [ -0.0004390700000000, -0.0002021200000000, -0.0001464200000000 ] - [ -0.0002922000000000, -0.0003740400000000, 0.0000881200000000 ] - [ -0.0003046300000000, 0.0001075500000000, 0.0002312800000000 ] - [ -0.0002638300000000, -0.0002023400000000, -0.0001466400000000 ] - [ 0.0000745500000000, 0.0002915500000000, -0.0005164200000000 ] - [ -0.0006267600000000, 0.0002840100000000, -0.0001020900000000 ] - [ -0.0002468400000000, -0.0000212200000000, -0.0000809500000000 ] - [ 0.0004943300000000, 0.0006703000000000, -0.0001062800000000 ] - [ -0.0001016200000000, 0.0000960300000000, -0.0001735300000000 ] - [ -0.0000497000000000, -0.0001990100000000, -0.0003346300000000 ] - [ 0.0005421900000000, -0.0000582600000000, -0.0001765500000000 ] - [ -0.0000769400000000, -0.0001423400000000, 0.0002044000000000 ] - [ 0.0000873500000000, 0.0000777600000000, 0.0000797100000000 ] - [ 0.0000230500000000, 0.0002356800000000, 0.0002351000000000 ]- atom: 39 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0002199900000000, 0.0000885400000000, -0.0002188700000000 ] - [ 0.0005549000000000, -0.0001394400000000, 0.0000721900000000 ] - [ 0.0002086800000000, -0.0000156300000000, 0.0000037500000000 ] - [ -0.0013832100000000, -0.0014901400000000, -0.0008412000000000 ] - [ -0.0002457300000000, 0.0000912700000000, -0.0000717600000000 ] - [ 0.0000836500000000, -0.0001271700000000, -0.0001814700000000 ] - [ -0.0002188300000000, 0.0002148100000000, 0.0000241400000000 ] - [ -0.0001680000000000, -0.0001340700000000, -0.0000850200000000 ] - [ 0.0002132000000000, -0.0001098900000000, -0.0000446400000000 ] - [ -0.0064407300000000, -0.0063112600000000, -0.0028210800000000 ] - [ 0.0003433500000000, 0.0000646300000000, 0.0002550000000000 ] - [ 0.0002170700000000, 0.0002255200000000, -0.0001391900000000 ] - [ 0.0000138200000000, -0.0000477800000000, 0.0002266300000000 ] - [ -0.0007658900000000, 0.0000196600000000, -0.0000313900000000 ] - [ 0.0000964300000000, -0.0002497500000000, -0.0000902200000000 ] - [ -0.0014167800000000, 0.0004181300000000, 0.0007948400000000 ] - [ -0.0022901000000000, 0.0023684500000000, -0.0010702200000000 ] - [ 0.0001674500000000, 0.0000131200000000, 0.0002100000000000 ] - [ 0.0000169300000000, 0.0001320800000000, -0.0000186200000000 ] - [ 0.0002448000000000, 0.0000736400000000, -0.0002339400000000 ] - [ 0.0002679800000000, -0.0000193600000000, -0.0003678600000000 ] - [ -0.0022074900000000, -0.0026305500000000, 0.0009083700000000 ] - [ 0.0019093500000000, 0.0008522900000000, -0.0017852400000000 ] - [ -0.0005013100000000, 0.0004826500000000, -0.0000555600000000 ] - [ -0.0238774500000000, 0.0004823800000000, 0.0204509100000000 ] - [ -0.0007055200000000, -0.0000472700000000, 0.0008849800000000 ] - [ 0.0007403200000000, 0.0009448100000000, -0.0000424800000000 ] - [ -0.0002059600000000, -0.0004571400000000, 0.0000196700000000 ] - [ 0.0000469800000000, -0.0001860600000000, 0.0001939500000000 ] - [ -0.0013427900000000, -0.0007736600000000, 0.0001999900000000 ] - [ -0.0004186300000000, -0.0000715800000000, -0.0001082100000000 ] - [ 0.0003660700000000, 0.0001434100000000, 0.0000780500000000 ] - [ 0.0002413200000000, 0.0003436600000000, -0.0001423600000000 ] - [ 0.0010371800000000, 0.0016641000000000, 0.0005713400000000 ] - [ 0.0001824300000000, -0.0002305400000000, -0.0006807800000000 ] - [ -0.0006191100000000, 0.0001982200000000, 0.0006648100000000 ] - [ 0.0001790200000000, -0.0000028300000000, -0.0001674500000000 ] - [ -0.0001407600000000, -0.0002008100000000, 0.0000734500000000 ] - [ 0.0346479000000000, 0.0030689400000000, -0.0198958400000000 ] - [ -0.0000176200000000, -0.0000744000000000, 0.0000606400000000 ] - [ -0.0004099200000000, -0.0003695000000000, 0.0004029400000000 ] - [ 0.0002483600000000, 0.0004347000000000, -0.0002639300000000 ] - [ 0.0005085400000000, 0.0003287800000000, 0.0000447100000000 ] - [ 0.0001445700000000, 0.0000442200000000, 0.0000282100000000 ] - [ 0.0000730500000000, -0.0001664300000000, 0.0002267800000000 ] - [ -0.0006502000000000, -0.0002864100000000, -0.0003437800000000 ] - [ -0.0003947100000000, -0.0001683200000000, 0.0001303500000000 ] - [ -0.0001760100000000, 0.0001220200000000, 0.0000828000000000 ] - [ -0.0000551700000000, 0.0000520200000000, -0.0000954400000000 ] - [ -0.0001876300000000, 0.0001545000000000, 0.0002162100000000 ] - [ 0.0005020000000000, 0.0001451800000000, -0.0001336300000000 ] - [ -0.0006908800000000, 0.0037412900000000, 0.0092363300000000 ] - [ 0.0007794300000000, -0.0000584700000000, -0.0001326300000000 ] - [ -0.0008602000000000, -0.0002608600000000, -0.0003077500000000 ] - [ -0.0000041100000000, 0.0003222400000000, 0.0000191600000000 ] - [ 0.0001566700000000, -0.0001236400000000, 0.0001319800000000 ] - [ 0.0001035900000000, -0.0000672100000000, -0.0016019400000000 ] - [ 0.0000613900000000, 0.0002233300000000, -0.0000175600000000 ] - [ -0.0004231900000000, -0.0003471200000000, -0.0002185400000000 ] - [ -0.0000549900000000, -0.0000882200000000, -0.0001532700000000 ] - [ -0.0002052200000000, 0.0000448300000000, -0.0000967300000000 ] - [ 0.0000698500000000, -0.0001619800000000, 0.0005821000000000 ] - [ 0.0000561400000000, 0.0001573800000000, 0.0004385800000000 ] - [ -0.0014995400000000, -0.0011369000000000, 0.0003538600000000 ] - [ 0.0002212800000000, 0.0000493300000000, 0.0001977400000000 ] - [ 0.0014654000000000, 0.0013734600000000, -0.0119725300000000 ] - [ 0.0000117000000000, 0.0001227600000000, 0.0000641100000000 ] - [ -0.0002345400000000, 0.0000500400000000, -0.0006364800000000 ] - [ -0.0009041000000000, 0.0001970400000000, 0.0004354700000000 ] - [ 0.0018770600000000, -0.0021532600000000, 0.0053886400000000 ] - [ 0.0003302500000000, -0.0001327700000000, -0.0003096800000000 ] - [ 0.0001724700000000, -0.0000678300000000, 0.0001138900000000 ] - [ 0.0001554700000000, -0.0001363500000000, -0.0000760000000000 ] - [ 0.0003919800000000, -0.0000062200000000, 0.0006264500000000 ] - [ -0.0002180700000000, 0.0000002200000000, 0.0001112100000000 ] - [ 0.0005078800000000, 0.0001611300000000, 0.0003036300000000 ] - [ -0.0003206900000000, -0.0000013700000000, 0.0000738200000000 ] - [ -0.0001503000000000, -0.0008124400000000, 0.0003562900000000 ] - [ -0.0002410900000000, 0.0000483600000000, -0.0000791200000000 ] - [ 0.0004586000000000, -0.0001457700000000, 0.0001802100000000 ] - [ 0.0000248300000000, 0.0000817000000000, 0.0001870400000000 ] - [ 0.0000742800000000, 0.0003033800000000, -0.0001894000000000 ] - [ -0.0000666100000000, 0.0000529400000000, 0.0000750200000000 ] - [ 0.0003194300000000, -0.0000907600000000, 0.0000215400000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003138600000000, 0.0000619000000000, -0.0001266200000000 ] - [ 0.0000493800000000, 0.0000107700000000, -0.0000192700000000 ] - [ 0.0000516600000000, 0.0000515700000000, 0.0000354900000000 ] - [ 0.0017354600000000, 0.0034641900000000, 0.0014015000000000 ] - [ -0.0003274100000000, 0.0001640400000000, 0.0000712200000000 ] - [ 0.0001877400000000, -0.0000909100000000, -0.0000818700000000 ] - [ -0.0001101100000000, 0.0001728600000000, 0.0001005400000000 ] - [ -0.0002170300000000, -0.0002117700000000, 0.0000472000000000 ] - [ 0.0000009300000000, 0.0000614000000000, -0.0001377100000000 ] - [ 0.0066206400000000, 0.0064594700000000, 0.0034994200000000 ] - [ 0.0000690800000000, -0.0001047800000000, 0.0002363300000000 ] - [ -0.0000790400000000, -0.0004142800000000, -0.0000602900000000 ] - [ -0.0000144100000000, -0.0000115600000000, 0.0001700100000000 ] - [ -0.0004682300000000, -0.0002206500000000, -0.0002213000000000 ] - [ 0.0001413700000000, -0.0002046900000000, -0.0001205300000000 ] - [ -0.0006569000000000, 0.0005189800000000, 0.0007070600000000 ] - [ -0.0023528900000000, 0.0031364100000000, -0.0012267600000000 ] - [ -0.0000487800000000, -0.0001535300000000, 0.0000520400000000 ] - [ 0.0000027800000000, 0.0000907200000000, -0.0000332700000000 ] - [ 0.0000865600000000, 0.0000153200000000, -0.0002311200000000 ] - [ 0.0006067800000000, -0.0002459400000000, -0.0000112700000000 ] - [ 0.0019171100000000, 0.0001900000000000, 0.0009187500000000 ] - [ 0.0001204100000000, 0.0041698500000000, -0.0007343300000000 ] - [ -0.0004820100000000, 0.0000539800000000, 0.0000519000000000 ] - [ -0.0000666400000000, 0.0225664100000000, 0.0004320500000000 ] - [ 0.0000540700000000, -0.0000653000000000, -0.0000675600000000 ] - [ 0.0001938200000000, -0.0001284500000000, 0.0000567400000000 ] - [ 0.0007374600000000, -0.0008081900000000, 0.0000470300000000 ] - [ -0.0000227400000000, -0.0002470300000000, 0.0001729100000000 ] - [ -0.0001655700000000, 0.0001427600000000, 0.0000701200000000 ] - [ -0.0003263900000000, -0.0002311000000000, 0.0007181900000000 ] - [ 0.0003458700000000, 0.0001345600000000, 0.0000759700000000 ] - [ 0.0003211300000000, 0.0003479100000000, -0.0000660700000000 ] - [ -0.0000879400000000, 0.0006188800000000, 0.0004479200000000 ] - [ 0.0002313200000000, -0.0002550800000000, -0.0004577700000000 ] - [ -0.0002047100000000, 0.0000935700000000, 0.0006037100000000 ] - [ 0.0000004400000000, -0.0000510600000000, -0.0001621500000000 ] - [ -0.0001234000000000, -0.0001767100000000, 0.0000415800000000 ] - [ -0.0032794100000000, -0.0336244000000000, -0.0073102700000000 ] - [ -0.0000105400000000, -0.0000505900000000, 0.0000192200000000 ] - [ -0.0001215800000000, -0.0002362300000000, 0.0000421400000000 ] - [ 0.0001391100000000, -0.0001401700000000, 0.0001496000000000 ] - [ -0.0000318300000000, 0.0004183200000000, -0.0000671300000000 ] - [ 0.0000706200000000, 0.0000257400000000, -0.0000479700000000 ] - [ 0.0000558800000000, -0.0001303800000000, 0.0002170400000000 ] - [ -0.0000746800000000, -0.0000063600000000, -0.0001316200000000 ] - [ -0.0000943700000000, -0.0002763700000000, -0.0000096600000000 ] - [ -0.0000345400000000, 0.0000817200000000, -0.0000003700000000 ] - [ -0.0001995300000000, 0.0005004600000000, 0.0002991600000000 ] - [ -0.0001996800000000, 0.0001535700000000, 0.0001176900000000 ] - [ 0.0002884100000000, -0.0000501200000000, -0.0000952200000000 ] - [ -0.0063296500000000, -0.0008667300000000, 0.0115549000000000 ] - [ -0.0000693300000000, 0.0000282000000000, -0.0005136200000000 ] - [ -0.0001540800000000, -0.0001440200000000, -0.0000202200000000 ] - [ -0.0000738800000000, 0.0002272100000000, 0.0000702300000000 ] - [ 0.0001072200000000, -0.0001003200000000, 0.0000815000000000 ] - [ -0.0002341100000000, -0.0001910400000000, -0.0003502100000000 ] - [ 0.0000502800000000, 0.0002313000000000, -0.0000819500000000 ] - [ 0.0001077300000000, -0.0001539900000000, -0.0003408100000000 ] - [ -0.0000819700000000, -0.0000774100000000, -0.0002337900000000 ] - [ -0.0002558800000000, -0.0000613400000000, 0.0000097000000000 ] - [ 0.0001991700000000, -0.0002464100000000, 0.0000185100000000 ] - [ 0.0000460300000000, 0.0001736700000000, 0.0002501900000000 ] - [ -0.0001197000000000, -0.0004651800000000, -0.0001028700000000 ] - [ 0.0000207700000000, 0.0001050700000000, 0.0002231000000000 ] - [ -0.0000364600000000, -0.0051098900000000, 0.0002289800000000 ] - [ -0.0000127300000000, 0.0001579000000000, -0.0002464500000000 ] - [ -0.0000572100000000, 0.0000351300000000, -0.0001222700000000 ] - [ -0.0009361700000000, 0.0001660500000000, 0.0004049600000000 ] - [ 0.0033342600000000, -0.0003514500000000, -0.0088201700000000 ] - [ -0.0000224600000000, 0.0005902800000000, -0.0003269100000000 ] - [ -0.0000752200000000, -0.0000586300000000, 0.0002180500000000 ] - [ -0.0000723200000000, 0.0001648200000000, 0.0000885000000000 ] - [ 0.0000774600000000, -0.0006480400000000, -0.0004983000000000 ] - [ -0.0001432200000000, 0.0002487800000000, -0.0002643700000000 ] - [ -0.0001281300000000, 0.0002610700000000, -0.0002326000000000 ] - [ -0.0002979300000000, 0.0000001200000000, 0.0000268700000000 ] - [ 0.0002905800000000, 0.0000663200000000, -0.0001140400000000 ] - [ -0.0001820700000000, 0.0000883700000000, -0.0001140300000000 ] - [ 0.0001885900000000, -0.0002633400000000, -0.0000502100000000 ] - [ 0.0002059200000000, 0.0003526800000000, -0.0001825900000000 ] - [ -0.0000562400000000, 0.0001815000000000, -0.0001810900000000 ] - [ -0.0000061200000000, 0.0000750500000000, 0.0000896300000000 ] - [ 0.0001752900000000, 0.0000145700000000, 0.0001489500000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003082300000000, 0.0001010800000000, -0.0001967300000000 ] - [ -0.0000451000000000, -0.0001744600000000, -0.0000660100000000 ] - [ -0.0000575200000000, 0.0001119600000000, 0.0000521700000000 ] - [ -0.0014607700000000, -0.0033835900000000, -0.0016801800000000 ] - [ -0.0002940500000000, -0.0000026900000000, 0.0002454400000000 ] - [ 0.0001832400000000, -0.0001274800000000, -0.0001512500000000 ] - [ -0.0001280600000000, 0.0002559800000000, 0.0000437600000000 ] - [ -0.0001523600000000, -0.0000052800000000, 0.0001802600000000 ] - [ 0.0000254200000000, -0.0000656000000000, -0.0002232100000000 ] - [ -0.0068272600000000, -0.0061408100000000, -0.0031654600000000 ] - [ -0.0000948700000000, 0.0001023800000000, 0.0001286200000000 ] - [ 0.0003271400000000, 0.0008409100000000, -0.0000950500000000 ] - [ -0.0000123700000000, 0.0000142300000000, 0.0001889200000000 ] - [ 0.0002221800000000, -0.0002093500000000, 0.0003745500000000 ] - [ 0.0001040300000000, -0.0002234700000000, -0.0000385000000000 ] - [ 0.0000743600000000, -0.0007107400000000, -0.0003747700000000 ] - [ 0.0028624100000000, -0.0032006900000000, 0.0008891800000000 ] - [ 0.0000442100000000, -0.0000078600000000, 0.0000377500000000 ] - [ 0.0000009600000000, 0.0000708000000000, -0.0000597500000000 ] - [ -0.0000611300000000, -0.0000145100000000, -0.0001321300000000 ] - [ 0.0003120100000000, 0.0000489500000000, -0.0000542400000000 ] - [ -0.0009961200000000, 0.0000314500000000, -0.0009972700000000 ] - [ -0.0010270200000000, -0.0043657700000000, 0.0007900100000000 ] - [ -0.0004370200000000, 0.0001509200000000, -0.0000029200000000 ] - [ 0.0003335000000000, -0.0220878400000000, -0.0005763200000000 ] - [ 0.0000418100000000, -0.0003967600000000, -0.0003167300000000 ] - [ -0.0001001600000000, 0.0005947900000000, -0.0004283500000000 ] - [ -0.0000840900000000, 0.0001419700000000, -0.0000681000000000 ] - [ -0.0000673900000000, -0.0002122500000000, 0.0001891400000000 ] - [ -0.0005009300000000, -0.0008164000000000, -0.0000562200000000 ] - [ -0.0000525500000000, -0.0002582300000000, 0.0000833600000000 ] - [ -0.0009977100000000, 0.0005327600000000, -0.0000536100000000 ] - [ 0.0003296500000000, 0.0003167300000000, 0.0000406700000000 ] - [ 0.0000018600000000, -0.0001479100000000, -0.0000734000000000 ] - [ 0.0001529300000000, -0.0002344500000000, -0.0003564000000000 ] - [ -0.0001748400000000, 0.0003989400000000, 0.0001961800000000 ] - [ 0.0000063900000000, 0.0002091600000000, 0.0001490200000000 ] - [ -0.0001363200000000, -0.0001595600000000, 0.0000492500000000 ] - [ 0.0034100900000000, 0.0332859700000000, 0.0070712400000000 ] - [ 0.0000079600000000, -0.0001088200000000, -0.0000008700000000 ] - [ 0.0002617500000000, 0.0005251900000000, 0.0003591600000000 ] - [ 0.0001216600000000, 0.0004743900000000, -0.0002347100000000 ] - [ 0.0002364300000000, -0.0002140900000000, 0.0002332200000000 ] - [ 0.0000857200000000, 0.0000037200000000, -0.0001011000000000 ] - [ 0.0000849400000000, -0.0001605700000000, 0.0001937400000000 ] - [ 0.0000493700000000, -0.0001285600000000, -0.0000225000000000 ] - [ 0.0000962400000000, 0.0001140200000000, -0.0000060500000000 ] - [ 0.0002932800000000, -0.0004178600000000, -0.0000880100000000 ] - [ -0.0000596300000000, -0.0001652200000000, -0.0002135100000000 ] - [ -0.0002070300000000, 0.0001936500000000, 0.0000457300000000 ] - [ 0.0002798300000000, 0.0000277400000000, 0.0001135100000000 ] - [ 0.0064945200000000, 0.0004367900000000, -0.0118017500000000 ] - [ -0.0001191900000000, 0.0001772200000000, 0.0003548800000000 ] - [ 0.0001692600000000, 0.0000099900000000, 0.0001675900000000 ] - [ 0.0004788800000000, 0.0001176700000000, -0.0002306200000000 ] - [ 0.0000984800000000, -0.0001047800000000, 0.0000891300000000 ] - [ 0.0000909800000000, -0.0000989600000000, -0.0000337200000000 ] - [ 0.0000659300000000, 0.0002110300000000, -0.0001149300000000 ] - [ -0.0004504800000000, 0.0000039700000000, 0.0000803700000000 ] - [ -0.0000473400000000, -0.0001299700000000, -0.0002366500000000 ] - [ -0.0001494900000000, -0.0002860600000000, 0.0001492800000000 ] - [ -0.0003582800000000, 0.0002764800000000, 0.0001332300000000 ] - [ 0.0000657000000000, 0.0001597400000000, 0.0002020700000000 ] - [ -0.0004583400000000, 0.0004791000000000, 0.0000872200000000 ] - [ 0.0001076300000000, 0.0001026400000000, 0.0002491400000000 ] - [ 0.0001973700000000, 0.0050694800000000, -0.0003141900000000 ] - [ -0.0001017800000000, 0.0001765100000000, -0.0001952500000000 ] - [ 0.0000442700000000, 0.0000955600000000, -0.0000192000000000 ] - [ 0.0007291000000000, -0.0003727500000000, -0.0005697900000000 ] - [ -0.0034309500000000, 0.0005531200000000, 0.0083116700000000 ] - [ -0.0000905900000000, -0.0009251700000000, -0.0001168800000000 ] - [ -0.0000421800000000, -0.0003900200000000, -0.0000183700000000 ] - [ -0.0000845000000000, -0.0001947200000000, 0.0000653200000000 ] - [ 0.0000485100000000, 0.0004401600000000, 0.0009749700000000 ] - [ 0.0000014300000000, 0.0000397400000000, -0.0001385900000000 ] - [ 0.0000086900000000, 0.0001798200000000, 0.0004368800000000 ] - [ -0.0002713400000000, -0.0000217400000000, -0.0000348700000000 ] - [ 0.0000502900000000, -0.0002199900000000, 0.0003726500000000 ] - [ -0.0001610600000000, 0.0000575600000000, -0.0001397300000000 ] - [ 0.0002210400000000, -0.0000822600000000, -0.0000991800000000 ] - [ 0.0003626900000000, -0.0003338600000000, 0.0001975700000000 ] - [ 0.0000550100000000, -0.0000227200000000, 0.0001948800000000 ] - [ 0.0000259400000000, 0.0000567300000000, 0.0000648700000000 ] - [ 0.0001665000000000, 0.0001328200000000, 0.0001104600000000 ]- atom: 39 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0003207500000000, 0.0002617700000000, -0.0008517200000000 ] - [ 0.0001272700000000, -0.0001576800000000, 0.0007592400000000 ] - [ -0.0001444200000000, 0.0002953900000000, -0.0002853600000000 ] - [ 0.0008954700000000, 0.0017970500000000, 0.0024575800000000 ] - [ -0.0002380500000000, -0.0000704300000000, -0.0005423700000000 ] - [ 0.0002985300000000, -0.0002412300000000, -0.0007997100000000 ] - [ 0.0005186100000000, 0.0003985100000000, -0.0011810300000000 ] - [ -0.0000330200000000, 0.0000133900000000, -0.0004789900000000 ] - [ 0.0000897500000000, -0.0001660500000000, 0.0000363300000000 ] - [ 0.0006723800000000, 0.0013203600000000, 0.0013035200000000 ] - [ 0.0000385800000000, 0.0000319000000000, 0.0008189100000000 ] - [ 0.0006273900000000, 0.0003782400000000, 0.0002650700000000 ] - [ -0.0000880600000000, 0.0000574400000000, -0.0004055600000000 ] - [ -0.0004171600000000, -0.0007422600000000, -0.0005764300000000 ] - [ 0.0000861500000000, -0.0003612200000000, -0.0006828300000000 ] - [ -0.0019572800000000, 0.0010066600000000, 0.0012311300000000 ] - [ 0.0013472200000000, -0.0012724100000000, 0.0018735500000000 ] - [ -0.0000297800000000, 0.0000335200000000, 0.0002669100000000 ] - [ -0.0001562900000000, 0.0000044000000000, -0.0006526200000000 ] - [ -0.0000972000000000, -0.0002188600000000, -0.0005253300000000 ] - [ 0.0016257600000000, -0.0001574100000000, -0.0012693300000000 ] - [ -0.0007044400000000, 0.0032553700000000, -0.0028029600000000 ] - [ 0.0045348400000000, 0.0012491800000000, -0.0003386500000000 ] - [ -0.0007134000000000, 0.0010307400000000, -0.0020773200000000 ] - [ -0.0226272900000000, 0.0018971200000000, 0.1586716900000000 ] - [ 0.0006712900000000, -0.0008909400000000, -0.0023307300000000 ] - [ 0.0009509200000000, 0.0017865100000000, -0.0005583100000000 ] - [ 0.0001617500000000, -0.0001546500000000, -0.0000562400000000 ] - [ -0.0004189700000000, 0.0002384200000000, -0.0008636400000000 ] - [ -0.0020553700000000, -0.0004867700000000, -0.0008876900000000 ] - [ 0.0005104500000000, 0.0000935100000000, -0.0013901800000000 ] - [ 0.0006251200000000, -0.0000628700000000, 0.0005155900000000 ] - [ 0.0003421900000000, 0.0005026600000000, -0.0005861100000000 ] - [ 0.0001827700000000, 0.0012408500000000, 0.0014869600000000 ] - [ 0.0005176800000000, -0.0003011000000000, -0.0019238500000000 ] - [ -0.0012332200000000, 0.0000141000000000, 0.0010895300000000 ] - [ 0.0003643300000000, -0.0001558500000000, 0.0002492600000000 ] - [ -0.0002914700000000, -0.0003847100000000, 0.0004054600000000 ] - [ 0.0250971400000000, -0.0064985900000000, -0.1923310800000000 ] - [ -0.0002288200000000, -0.0000622900000000, 0.0003938400000000 ] - [ -0.0004417900000000, -0.0004143700000000, -0.0010937500000000 ] - [ 0.0005499600000000, 0.0001765300000000, 0.0003477900000000 ] - [ 0.0004299500000000, -0.0001783500000000, -0.0002513400000000 ] - [ 0.0000372700000000, 0.0001687300000000, 0.0005490400000000 ] - [ 0.0002764300000000, -0.0004052500000000, 0.0010410300000000 ] - [ -0.0010842600000000, -0.0006070600000000, -0.0006290100000000 ] - [ -0.0004585600000000, -0.0001005300000000, 0.0000185100000000 ] - [ -0.0002022600000000, 0.0002124100000000, 0.0000163400000000 ] - [ 0.0000901900000000, -0.0001946600000000, -0.0003900600000000 ] - [ -0.0004093800000000, 0.0001329500000000, 0.0006470500000000 ] - [ 0.0002819200000000, -0.0000577900000000, 0.0008944400000000 ] - [ -0.0061812700000000, 0.0043573300000000, 0.0108976300000000 ] - [ 0.0014216400000000, -0.0006683900000000, 0.0018962500000000 ] - [ -0.0006359800000000, -0.0002676500000000, -0.0007139700000000 ] - [ -0.0004181400000000, 0.0005258300000000, -0.0004016800000000 ] - [ 0.0000899500000000, -0.0002181400000000, 0.0004778000000000 ] - [ -0.0002806600000000, 0.0001432200000000, 0.0025527100000000 ] - [ -0.0002137200000000, 0.0001914900000000, 0.0004668000000000 ] - [ 0.0002534400000000, -0.0005299000000000, -0.0012415500000000 ] - [ -0.0002856100000000, 0.0000563500000000, 0.0004035800000000 ] - [ 0.0001318500000000, -0.0005085900000000, 0.0000662800000000 ] - [ -0.0004321800000000, -0.0002053400000000, 0.0008947100000000 ] - [ -0.0001485500000000, 0.0001432000000000, 0.0014296700000000 ] - [ -0.0007625400000000, -0.0002642400000000, -0.0012916400000000 ] - [ 0.0000382700000000, -0.0001296300000000, 0.0005834200000000 ] - [ 0.0031560700000000, -0.0017452500000000, 0.0092147100000000 ] - [ -0.0003144600000000, 0.0001338900000000, 0.0008182000000000 ] - [ 0.0007645200000000, 0.0000877900000000, 0.0012891000000000 ] - [ -0.0013776700000000, 0.0003483800000000, 0.0005399500000000 ] - [ -0.0027946300000000, -0.0034746800000000, 0.0070142000000000 ] - [ 0.0001065800000000, -0.0000587800000000, -0.0005894000000000 ] - [ -0.0001738400000000, 0.0007561300000000, 0.0004528000000000 ] - [ 0.0002087500000000, 0.0001880600000000, 0.0003124400000000 ] - [ -0.0003061300000000, -0.0001060200000000, 0.0012356900000000 ] - [ -0.0003359500000000, -0.0000225800000000, 0.0000460200000000 ] - [ -0.0003931400000000, -0.0001866600000000, 0.0010061100000000 ] - [ -0.0001209700000000, -0.0001663400000000, 0.0007887800000000 ] - [ -0.0005376800000000, -0.0014716300000000, 0.0004479800000000 ] - [ -0.0002121400000000, -0.0002227700000000, 0.0004209200000000 ] - [ 0.0006690600000000, -0.0001276800000000, 0.0013835700000000 ] - [ 0.0000307500000000, -0.0000932500000000, -0.0000526800000000 ] - [ 0.0003217700000000, -0.0001857000000000, -0.0004098500000000 ] - [ 0.0004355600000000, 0.0000203100000000, 0.0006995500000000 ] - [ 0.0000555000000000, 0.0004468300000000, 0.0007853200000000 ]- atom: 39 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0003062600000000, -0.0001020500000000, 0.0005326200000000 ] - [ -0.0001252000000000, -0.0000063500000000, -0.0008495700000000 ] - [ 0.0001422500000000, -0.0001332700000000, 0.0003726600000000 ] - [ -0.0005268800000000, -0.0015778700000000, -0.0026836300000000 ] - [ -0.0003887400000000, 0.0002310600000000, 0.0008644500000000 ] - [ 0.0000713200000000, 0.0000237300000000, 0.0005719000000000 ] - [ -0.0007606800000000, 0.0000309600000000, 0.0013295900000000 ] - [ -0.0003380000000000, -0.0002312000000000, 0.0007094100000000 ] - [ -0.0000624200000000, 0.0001641900000000, -0.0003979100000000 ] - [ -0.0010340000000000, -0.0010940100000000, -0.0010786000000000 ] - [ -0.0000654300000000, -0.0000326700000000, -0.0004595000000000 ] - [ -0.0003864100000000, 0.0000475000000000, -0.0004229300000000 ] - [ 0.0000624100000000, -0.0000558100000000, 0.0007692500000000 ] - [ 0.0001734500000000, 0.0003184700000000, 0.0007361600000000 ] - [ 0.0001579200000000, -0.0000662900000000, 0.0005285800000000 ] - [ 0.0013410800000000, -0.0011784100000000, -0.0008989200000000 ] - [ -0.0007175500000000, 0.0011070100000000, -0.0021905700000000 ] - [ 0.0000285200000000, -0.0001963400000000, -0.0001796900000000 ] - [ 0.0001591800000000, 0.0001589100000000, 0.0005671100000000 ] - [ 0.0001239800000000, 0.0002216200000000, 0.0001640600000000 ] - [ -0.0006994100000000, -0.0000398700000000, 0.0012118900000000 ] - [ 0.0016335500000000, -0.0030834000000000, 0.0027669500000000 ] - [ -0.0054937000000000, -0.0014540300000000, 0.0004013100000000 ] - [ -0.0002124400000000, -0.0008375200000000, 0.0021431000000000 ] - [ 0.0242069500000000, -0.0013456900000000, -0.1687995800000000 ] - [ -0.0005845100000000, 0.0004423500000000, 0.0019719600000000 ] - [ -0.0008681800000000, -0.0013332900000000, 0.0001946900000000 ] - [ 0.0004941500000000, -0.0005156100000000, 0.0000341700000000 ] - [ 0.0003311900000000, -0.0006936300000000, 0.0012289000000000 ] - [ 0.0014040100000000, -0.0001783600000000, 0.0009149700000000 ] - [ -0.0008972700000000, -0.0005807000000000, 0.0022124100000000 ] - [ -0.0012860800000000, 0.0007332000000000, -0.0004966000000000 ] - [ 0.0003112900000000, 0.0001619700000000, 0.0005650900000000 ] - [ -0.0002680800000000, -0.0007715900000000, -0.0011282500000000 ] - [ -0.0001327000000000, -0.0001932800000000, 0.0011145200000000 ] - [ 0.0008358900000000, 0.0004812500000000, -0.0002573800000000 ] - [ -0.0003629500000000, 0.0003162900000000, -0.0002669100000000 ] - [ 0.0000285900000000, 0.0000446400000000, -0.0003160000000000 ] - [ -0.0262346400000000, 0.0062038300000000, 0.2025867200000000 ] - [ 0.0002262500000000, -0.0000958500000000, -0.0003781500000000 ] - [ 0.0005832900000000, 0.0007040900000000, 0.0015109300000000 ] - [ -0.0002882600000000, 0.0001644900000000, -0.0004398600000000 ] - [ -0.0002301400000000, 0.0003861600000000, 0.0004232200000000 ] - [ 0.0001132300000000, -0.0001415500000000, -0.0007048100000000 ] - [ -0.0001374300000000, 0.0001153300000000, -0.0006340100000000 ] - [ 0.0010599400000000, 0.0004770400000000, 0.0004732100000000 ] - [ 0.0004627800000000, -0.0000600700000000, -0.0000329500000000 ] - [ 0.0004666100000000, -0.0005550500000000, -0.0001063200000000 ] - [ -0.0003536900000000, 0.0005398000000000, 0.0004850800000000 ] - [ 0.0000020400000000, 0.0002155400000000, -0.0004890200000000 ] - [ 0.0002856600000000, 0.0000359200000000, -0.0008837800000000 ] - [ 0.0064211300000000, -0.0049354500000000, -0.0112884200000000 ] - [ -0.0016268100000000, 0.0008665200000000, -0.0020588100000000 ] - [ 0.0006570000000000, 0.0001370400000000, 0.0008701500000000 ] - [ 0.0008322200000000, -0.0001806100000000, 0.0002450700000000 ] - [ 0.0001136600000000, 0.0000150600000000, -0.0003103700000000 ] - [ 0.0001466200000000, -0.0004385200000000, -0.0029704000000000 ] - [ 0.0003380900000000, 0.0002553300000000, -0.0006681700000000 ] - [ -0.0005978500000000, 0.0003874400000000, 0.0009916100000000 ] - [ 0.0001592500000000, -0.0002658400000000, -0.0008783000000000 ] - [ -0.0005412800000000, 0.0001630900000000, 0.0000946400000000 ] - [ 0.0002839300000000, 0.0002331300000000, -0.0007468100000000 ] - [ 0.0002589400000000, 0.0001923300000000, -0.0009728200000000 ] - [ 0.0001857900000000, 0.0002733100000000, 0.0012882300000000 ] - [ 0.0000917800000000, 0.0003364600000000, -0.0001115300000000 ] - [ -0.0031269800000000, 0.0017203600000000, -0.0095614500000000 ] - [ 0.0002047300000000, 0.0002004300000000, -0.0012789600000000 ] - [ -0.0007904700000000, 0.0000396900000000, -0.0014497700000000 ] - [ 0.0011833900000000, -0.0005552900000000, -0.0007103200000000 ] - [ 0.0027327900000000, 0.0037535500000000, -0.0076400800000000 ] - [ -0.0002159500000000, -0.0002767100000000, 0.0001185300000000 ] - [ 0.0000549100000000, -0.0012001500000000, -0.0002561700000000 ] - [ -0.0003563500000000, -0.0002181300000000, -0.0001607200000000 ] - [ 0.0004317900000000, -0.0001056400000000, -0.0007568200000000 ] - [ 0.0001958600000000, 0.0003136800000000, -0.0004575500000000 ] - [ 0.0002725800000000, 0.0006342100000000, -0.0008137000000000 ] - [ -0.0004468500000000, 0.0001441400000000, -0.0008025900000000 ] - [ 0.0008851000000000, 0.0013325900000000, -0.0001957300000000 ] - [ -0.0001308200000000, 0.0003655800000000, -0.0006751700000000 ] - [ -0.0002589000000000, -0.0002188500000000, -0.0015406300000000 ] - [ 0.0005402600000000, 0.0001123300000000, 0.0000609200000000 ] - [ -0.0003263700000000, 0.0003473200000000, 0.0004287600000000 ] - [ -0.0004164800000000, 0.0001086900000000, -0.0005467200000000 ] - [ 0.0002882700000000, -0.0003086900000000, -0.0005358300000000 ]- atom: 41 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0002880700000000, 0.0000563000000000, -0.0002366400000000 ] - [ 0.0004073200000000, 0.0007972900000000, -0.0000372500000000 ] - [ 0.0000294100000000, 0.0000757300000000, 0.0003775000000000 ] - [ -0.0001818500000000, -0.0000326100000000, -0.0000356400000000 ] - [ -0.0002697700000000, 0.0001164300000000, -0.0000181100000000 ] - [ 0.0001663400000000, -0.0000645000000000, -0.0002336900000000 ] - [ -0.0002625000000000, 0.0002466000000000, 0.0000519600000000 ] - [ -0.0001390500000000, -0.0002556300000000, -0.0000619500000000 ] - [ 0.0003881100000000, 0.0004198000000000, -0.0004292000000000 ] - [ -0.0004069200000000, 0.0003775500000000, 0.0004618700000000 ] - [ 0.0009997800000000, 0.0007742700000000, 0.0009230000000000 ] - [ 0.0012227700000000, -0.0002180300000000, -0.0002900000000000 ] - [ 0.0000464200000000, 0.0000096600000000, 0.0001376800000000 ] - [ -0.0003834300000000, -0.0003111400000000, -0.0000566900000000 ] - [ 0.0000860200000000, -0.0002082700000000, -0.0000605000000000 ] - [ -0.0004506600000000, -0.0004367500000000, 0.0005155500000000 ] - [ -0.0001937000000000, 0.0000001500000000, -0.0001598300000000 ] - [ 0.0003422700000000, -0.0005350500000000, -0.0001713800000000 ] - [ 0.0000512600000000, 0.0000809900000000, -0.0000821600000000 ] - [ 0.0000853600000000, -0.0000322800000000, -0.0001519500000000 ] - [ -0.0000140500000000, -0.0003582400000000, -0.0002307900000000 ] - [ -0.0007107500000000, 0.0009395100000000, -0.0004723300000000 ] - [ 0.0179294800000000, 0.0133114100000000, 0.0001500800000000 ] - [ -0.0005098800000000, 0.0000554600000000, 0.0001149000000000 ] - [ -0.0012498700000000, 0.0002470700000000, 0.0002769700000000 ] - [ 0.0001080900000000, -0.0003101800000000, -0.0000702400000000 ] - [ 0.0001232800000000, 0.0004865400000000, -0.0003540500000000 ] - [ -0.0003929400000000, -0.0012071300000000, 0.0001268700000000 ] - [ 0.0000268900000000, -0.0002406000000000, 0.0001999400000000 ] - [ -0.0001727400000000, -0.0001912600000000, 0.0000812300000000 ] - [ 0.0004772800000000, 0.0005865600000000, -0.0005936200000000 ] - [ 0.0016151100000000, -0.0000121500000000, -0.0008733100000000 ] - [ 0.0005278100000000, 0.0004028800000000, -0.0005308000000000 ] - [ 0.0221222100000000, 0.0038816500000000, -0.0229657400000000 ] - [ 0.0001269100000000, -0.0002797300000000, -0.0006889400000000 ] - [ -0.0004063100000000, 0.0001989800000000, 0.0007590800000000 ] - [ -0.0001079900000000, 0.0000692300000000, -0.0000777400000000 ] - [ -0.0001577400000000, -0.0002204500000000, 0.0001789200000000 ] - [ 0.0005354600000000, -0.0003573000000000, -0.0001900800000000 ] - [ -0.0000339000000000, -0.0000080900000000, 0.0001148900000000 ] - [ -0.0424626400000000, -0.0240126000000000, 0.0170937700000000 ] - [ -0.0000316700000000, 0.0000459400000000, -0.0000848100000000 ] - [ 0.0009497800000000, 0.0002593800000000, 0.0002953700000000 ] - [ 0.0001769800000000, 0.0000724100000000, 0.0000688900000000 ] - [ 0.0000374300000000, -0.0001244900000000, 0.0002069400000000 ] - [ -0.0001859200000000, -0.0000743800000000, 0.0002125700000000 ] - [ -0.0016000600000000, -0.0006859100000000, 0.0001060900000000 ] - [ -0.0006418700000000, 0.0004633600000000, 0.0002250300000000 ] - [ 0.0002387900000000, 0.0001773000000000, -0.0000936200000000 ] - [ -0.0001242400000000, 0.0003684800000000, 0.0005830800000000 ] - [ 0.0004114500000000, -0.0000063200000000, 0.0000898000000000 ] - [ 0.0020972500000000, 0.0005642000000000, -0.0015694400000000 ] - [ -0.0001699300000000, 0.0001042400000000, -0.0002304000000000 ] - [ -0.0002267100000000, -0.0007800000000000, 0.0117522500000000 ] - [ -0.0008056700000000, 0.0010212400000000, -0.0002266500000000 ] - [ 0.0002487300000000, -0.0000699200000000, 0.0003278500000000 ] - [ -0.0000402100000000, -0.0001297300000000, -0.0002433300000000 ] - [ 0.0001078400000000, 0.0002298300000000, -0.0000576400000000 ] - [ -0.0030126700000000, -0.0025198700000000, -0.0043148100000000 ] - [ 0.0000035900000000, -0.0000531300000000, -0.0001819200000000 ] - [ 0.0000391100000000, -0.0001172400000000, -0.0001777500000000 ] - [ 0.0000321300000000, -0.0003927400000000, 0.0075367700000000 ] - [ 0.0000548000000000, 0.0001813800000000, 0.0004270000000000 ] - [ 0.0004309400000000, 0.0059368100000000, -0.0088717600000000 ] - [ 0.0002349300000000, 0.0000993700000000, 0.0001517700000000 ] - [ 0.0009268300000000, 0.0000245500000000, 0.0001972100000000 ] - [ -0.0002308600000000, 0.0000047100000000, -0.0004846300000000 ] - [ 0.0000157400000000, 0.0000552600000000, -0.0000343700000000 ] - [ -0.0009682100000000, 0.0021489600000000, 0.0016520000000000 ] - [ 0.0012587000000000, -0.0000111700000000, -0.0007420000000000 ] - [ 0.0000911500000000, -0.0000954500000000, -0.0004637600000000 ] - [ 0.0001257900000000, -0.0002117400000000, -0.0000407900000000 ] - [ 0.0000350100000000, -0.0000145900000000, -0.0000218400000000 ] - [ 0.0003140300000000, -0.0009595700000000, 0.0013096800000000 ] - [ -0.0000066000000000, 0.0000425900000000, -0.0000350500000000 ] - [ -0.0001986800000000, 0.0002272200000000, 0.0003276700000000 ] - [ -0.0003156200000000, 0.0000170900000000, 0.0000261900000000 ] - [ 0.0002395000000000, -0.0003011900000000, 0.0002805400000000 ] - [ -0.0002228200000000, 0.0000781500000000, -0.0001192900000000 ] - [ 0.0001695800000000, -0.0002043700000000, -0.0001116800000000 ] - [ 0.0003764700000000, -0.0000169400000000, 0.0001185500000000 ] - [ 0.0008158900000000, 0.0006741200000000, -0.0004761900000000 ] - [ -0.0000417800000000, 0.0000787700000000, 0.0000638400000000 ] - [ 0.0001920800000000, 0.0000513200000000, 0.0001310100000000 ]- atom: 41 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0003326500000000, 0.0001065400000000, -0.0000810100000000 ] - [ -0.0003803900000000, -0.0009898100000000, -0.0000459700000000 ] - [ -0.0000386700000000, 0.0000866500000000, -0.0002868000000000 ] - [ 0.0005510600000000, 0.0002510800000000, -0.0001976900000000 ] - [ -0.0003510800000000, 0.0000434200000000, 0.0003419900000000 ] - [ 0.0002018600000000, -0.0001542500000000, 0.0000053900000000 ] - [ 0.0000164100000000, 0.0001791600000000, 0.0001044900000000 ] - [ -0.0002301800000000, 0.0000406700000000, 0.0002958700000000 ] - [ -0.0003618400000000, -0.0004264500000000, 0.0000706000000000 ] - [ 0.0000280100000000, -0.0001636500000000, -0.0002279000000000 ] - [ -0.0010095000000000, -0.0007309000000000, -0.0005523900000000 ] - [ -0.0010142400000000, 0.0006902700000000, 0.0001190900000000 ] - [ -0.0000732300000000, -0.0000071300000000, 0.0002262600000000 ] - [ 0.0001376600000000, -0.0001153100000000, 0.0002136900000000 ] - [ 0.0001589400000000, -0.0002179100000000, -0.0000951800000000 ] - [ -0.0001745500000000, 0.0002744100000000, -0.0001961300000000 ] - [ 0.0008166700000000, -0.0001628600000000, -0.0001635900000000 ] - [ -0.0003436500000000, 0.0003767600000000, 0.0002680100000000 ] - [ -0.0000455700000000, 0.0000809500000000, -0.0000061100000000 ] - [ -0.0000611000000000, 0.0000350700000000, -0.0002070200000000 ] - [ 0.0009348500000000, 0.0001645700000000, 0.0001701900000000 ] - [ 0.0016334300000000, -0.0007414700000000, 0.0004124500000000 ] - [ -0.0192590400000000, -0.0140938700000000, -0.0002658800000000 ] - [ -0.0004113000000000, 0.0001395100000000, -0.0000498600000000 ] - [ 0.0016338900000000, 0.0002470100000000, -0.0011022500000000 ] - [ -0.0000193000000000, -0.0001484000000000, -0.0002962600000000 ] - [ -0.0000352200000000, -0.0000249000000000, -0.0000140700000000 ] - [ 0.0010465100000000, 0.0005363400000000, -0.0001514300000000 ] - [ -0.0001138600000000, -0.0002232900000000, 0.0001714900000000 ] - [ -0.0004832300000000, -0.0004788800000000, -0.0000593500000000 ] - [ -0.0009214500000000, -0.0010659400000000, 0.0014362300000000 ] - [ -0.0022658200000000, 0.0006868000000000, 0.0008810300000000 ] - [ 0.0001195100000000, 0.0002619500000000, 0.0005112200000000 ] - [ -0.0219546900000000, -0.0034177000000000, 0.0231866700000000 ] - [ 0.0002550000000000, -0.0002102100000000, -0.0001141000000000 ] - [ 0.0000195400000000, 0.0002930600000000, 0.0000479900000000 ] - [ 0.0001098400000000, 0.0000926000000000, 0.0000621100000000 ] - [ -0.0001009500000000, -0.0001150100000000, -0.0000911400000000 ] - [ -0.0004215700000000, 0.0000241200000000, 0.0006465700000000 ] - [ 0.0000321100000000, -0.0001519400000000, -0.0001000000000000 ] - [ 0.0426625900000000, 0.0249173900000000, -0.0164024100000000 ] - [ 0.0002914300000000, 0.0002917700000000, -0.0000047100000000 ] - [ -0.0007434600000000, -0.0000513800000000, -0.0001250900000000 ] - [ -0.0000199900000000, -0.0000431200000000, -0.0002218000000000 ] - [ 0.0001010400000000, -0.0001635500000000, 0.0001959700000000 ] - [ 0.0001638800000000, -0.0000584600000000, -0.0003620300000000 ] - [ 0.0015970900000000, 0.0005254200000000, -0.0001063300000000 ] - [ 0.0008982000000000, -0.0008069900000000, -0.0003100400000000 ] - [ -0.0004987500000000, 0.0001609400000000, 0.0001839700000000 ] - [ -0.0002821500000000, -0.0000227700000000, -0.0004267000000000 ] - [ 0.0001588000000000, -0.0000137400000000, -0.0000789400000000 ] - [ -0.0019882000000000, -0.0010061100000000, 0.0013792500000000 ] - [ -0.0000324500000000, 0.0001019500000000, 0.0000628800000000 ] - [ 0.0002411200000000, 0.0006377300000000, -0.0115568200000000 ] - [ 0.0012155900000000, -0.0006863100000000, 0.0000806400000000 ] - [ -0.0000427300000000, -0.0001360800000000, -0.0001600300000000 ] - [ -0.0001010600000000, -0.0001606000000000, -0.0001640300000000 ] - [ 0.0000092200000000, 0.0002129800000000, -0.0001436700000000 ] - [ 0.0026977900000000, 0.0023567800000000, 0.0040027100000000 ] - [ -0.0001326700000000, -0.0001544000000000, -0.0002912800000000 ] - [ -0.0004481300000000, -0.0002265300000000, 0.0003369900000000 ] - [ -0.0000695300000000, 0.0004200000000000, -0.0074253800000000 ] - [ 0.0000583800000000, 0.0001525800000000, 0.0000142200000000 ] - [ -0.0009524800000000, -0.0059537400000000, 0.0088746900000000 ] - [ -0.0001050400000000, 0.0001053000000000, 0.0003206000000000 ] - [ -0.0007746800000000, -0.0000574400000000, -0.0003467800000000 ] - [ 0.0001352700000000, 0.0003287100000000, 0.0000522900000000 ] - [ -0.0000341300000000, 0.0000763400000000, -0.0001186400000000 ] - [ 0.0007647800000000, -0.0023794200000000, -0.0018344800000000 ] - [ -0.0013920800000000, 0.0002119300000000, 0.0002802700000000 ] - [ -0.0002025200000000, -0.0002397600000000, 0.0000188100000000 ] - [ -0.0002419200000000, -0.0002311900000000, 0.0002413900000000 ] - [ -0.0001903400000000, -0.0000167200000000, 0.0001727400000000 ] - [ -0.0001867500000000, 0.0007514300000000, -0.0008448800000000 ] - [ -0.0001345800000000, 0.0002461800000000, -0.0003691200000000 ] - [ 0.0000741300000000, 0.0002196800000000, -0.0001310000000000 ] - [ -0.0002563800000000, -0.0000365000000000, -0.0000412200000000 ] - [ 0.0001019700000000, 0.0001552300000000, -0.0000230500000000 ] - [ -0.0001208800000000, 0.0000705900000000, -0.0001397700000000 ] - [ 0.0002377300000000, -0.0001408300000000, -0.0000503700000000 ] - [ 0.0001939100000000, 0.0000347900000000, -0.0001049600000000 ] - [ -0.0008184500000000, -0.0005106200000000, 0.0004915000000000 ] - [ 0.0000573100000000, 0.0000540400000000, 0.0000845800000000 ] - [ 0.0001516200000000, 0.0000934400000000, 0.0001227800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002786800000000, 0.0001035600000000, -0.0002637800000000 ] - [ 0.0002040400000000, 0.0006995300000000, 0.0000614200000000 ] - [ 0.0000482200000000, 0.0000950900000000, 0.0001494800000000 ] - [ -0.0000243600000000, -0.0000879200000000, 0.0000270900000000 ] - [ -0.0003141000000000, 0.0001235600000000, -0.0000715300000000 ] - [ 0.0001551100000000, -0.0001263400000000, -0.0002772800000000 ] - [ -0.0001871700000000, 0.0002159700000000, 0.0000607600000000 ] - [ -0.0001404900000000, -0.0001261700000000, 0.0000236800000000 ] - [ 0.0002389600000000, 0.0001701800000000, -0.0002122500000000 ] - [ 0.0002386500000000, 0.0011458600000000, 0.0001932000000000 ] - [ 0.0009800900000000, 0.0019890400000000, 0.0017181700000000 ] - [ 0.0004904700000000, 0.0002087300000000, 0.0008717500000000 ] - [ 0.0000083600000000, 0.0000179500000000, 0.0000814000000000 ] - [ -0.0003014500000000, -0.0003715200000000, 0.0000108700000000 ] - [ 0.0001250200000000, -0.0001919500000000, -0.0001552200000000 ] - [ -0.0002905500000000, -0.0009694000000000, 0.0004970400000000 ] - [ 0.0000721300000000, 0.0000643500000000, -0.0000878800000000 ] - [ -0.0004908400000000, -0.0002416300000000, -0.0006450300000000 ] - [ 0.0000083100000000, 0.0000685300000000, -0.0001329500000000 ] - [ 0.0001059400000000, -0.0001257800000000, -0.0002202000000000 ] - [ 0.0002974400000000, -0.0001756600000000, -0.0003058200000000 ] - [ -0.0003127900000000, 0.0008337200000000, -0.0000011300000000 ] - [ 0.0138989900000000, 0.0171973800000000, 0.0010288800000000 ] - [ -0.0004727200000000, -0.0000782200000000, -0.0002440200000000 ] - [ -0.0009900700000000, 0.0015357800000000, -0.0004032500000000 ] - [ -0.0000017300000000, -0.0003428800000000, -0.0002506900000000 ] - [ -0.0002853700000000, 0.0001981100000000, -0.0004152900000000 ] - [ 0.0000251200000000, -0.0006231800000000, 0.0002015200000000 ] - [ -0.0000108600000000, -0.0001500400000000, 0.0000115000000000 ] - [ -0.0000809200000000, -0.0001260900000000, 0.0000248900000000 ] - [ 0.0005333500000000, 0.0007018200000000, 0.0001548300000000 ] - [ 0.0005236300000000, -0.0021123800000000, 0.0000019700000000 ] - [ 0.0003261700000000, 0.0004320700000000, -0.0002768000000000 ] - [ 0.0038222500000000, 0.0207299500000000, -0.0067860500000000 ] - [ 0.0001814700000000, -0.0002950000000000, -0.0007513800000000 ] - [ -0.0000575300000000, 0.0002552600000000, 0.0002954500000000 ] - [ -0.0000884800000000, 0.0001016000000000, -0.0000487900000000 ] - [ -0.0001400000000000, -0.0002271500000000, 0.0001488800000000 ] - [ 0.0005683000000000, -0.0005473400000000, -0.0002371300000000 ] - [ 0.0000382000000000, -0.0000869300000000, 0.0001411900000000 ] - [ -0.0241048200000000, -0.0441507200000000, -0.0002291200000000 ] - [ -0.0000245900000000, -0.0000797500000000, -0.0000551200000000 ] - [ 0.0003255800000000, 0.0001389700000000, 0.0000459500000000 ] - [ 0.0001351400000000, 0.0000753300000000, 0.0000773900000000 ] - [ 0.0000510400000000, -0.0001616100000000, 0.0003597900000000 ] - [ 0.0001804500000000, 0.0001813000000000, 0.0001677100000000 ] - [ -0.0010819200000000, 0.0032660500000000, 0.0029839000000000 ] - [ -0.0004463300000000, 0.0016179600000000, -0.0004121300000000 ] - [ 0.0001960300000000, 0.0002419800000000, -0.0001556100000000 ] - [ -0.0001184500000000, 0.0001986900000000, 0.0003242900000000 ] - [ 0.0004260700000000, -0.0000592900000000, 0.0001204600000000 ] - [ 0.0024586000000000, 0.0005980300000000, -0.0019737800000000 ] - [ -0.0001646600000000, 0.0000767200000000, -0.0001503800000000 ] - [ 0.0004936900000000, -0.0043599700000000, 0.0021374900000000 ] - [ -0.0004992000000000, 0.0014778900000000, -0.0005292100000000 ] - [ 0.0002086900000000, -0.0001329200000000, 0.0002457000000000 ] - [ -0.0000553100000000, -0.0001393200000000, -0.0001336100000000 ] - [ 0.0000431000000000, 0.0002610700000000, 0.0000057900000000 ] - [ -0.0049916000000000, 0.0024016000000000, 0.0122122500000000 ] - [ -0.0000617100000000, -0.0000454200000000, -0.0001269500000000 ] - [ -0.0000852500000000, -0.0001780400000000, -0.0000760500000000 ] - [ -0.0008832000000000, -0.0027917200000000, -0.0002302200000000 ] - [ 0.0000359800000000, 0.0001821700000000, 0.0004835300000000 ] - [ 0.0072334600000000, 0.0017190100000000, -0.0118457400000000 ] - [ 0.0000220700000000, 0.0002171400000000, 0.0003224400000000 ] - [ 0.0003509600000000, -0.0002786700000000, 0.0000745700000000 ] - [ -0.0001348700000000, 0.0001195500000000, 0.0000483300000000 ] - [ 0.0000308400000000, 0.0000694700000000, 0.0000090100000000 ] - [ -0.0006415200000000, 0.0015958300000000, 0.0010418600000000 ] - [ 0.0008173400000000, -0.0009925500000000, -0.0003353800000000 ] - [ -0.0002001400000000, -0.0000625500000000, -0.0000815100000000 ] - [ -0.0000727400000000, -0.0002814700000000, 0.0001059000000000 ] - [ -0.0002684200000000, 0.0001053700000000, 0.0001989400000000 ] - [ 0.0009429300000000, -0.0008868500000000, 0.0012528100000000 ] - [ 0.0000310900000000, 0.0001510300000000, -0.0001041200000000 ] - [ -0.0001282700000000, -0.0001128600000000, 0.0000223500000000 ] - [ -0.0003017400000000, 0.0000056700000000, 0.0001275700000000 ] - [ 0.0003499600000000, 0.0000143300000000, 0.0000278300000000 ] - [ -0.0002222700000000, 0.0000083300000000, -0.0000353100000000 ] - [ 0.0001427600000000, -0.0002028600000000, 0.0000098300000000 ] - [ 0.0003734400000000, 0.0000235600000000, 0.0001078300000000 ] - [ 0.0004361100000000, 0.0001180500000000, -0.0002973600000000 ] - [ 0.0000261900000000, 0.0000606300000000, 0.0001551700000000 ] - [ 0.0001960000000000, 0.0001083600000000, 0.0001854000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003465900000000, 0.0000566900000000, -0.0000536200000000 ] - [ -0.0001650800000000, -0.0009093000000000, -0.0001353100000000 ] - [ -0.0000568700000000, 0.0000617600000000, -0.0000537500000000 ] - [ 0.0003947500000000, 0.0003060800000000, -0.0002593100000000 ] - [ -0.0003115000000000, 0.0000415100000000, 0.0003911800000000 ] - [ 0.0002161500000000, -0.0000896600000000, 0.0000506600000000 ] - [ -0.0000573000000000, 0.0002107100000000, 0.0000956900000000 ] - [ -0.0002316400000000, -0.0000954700000000, 0.0002057700000000 ] - [ -0.0002130400000000, -0.0001781900000000, -0.0001432100000000 ] - [ -0.0006153600000000, -0.0009289700000000, 0.0000394600000000 ] - [ -0.0009223800000000, -0.0018824600000000, -0.0013046800000000 ] - [ -0.0002967500000000, 0.0002632500000000, -0.0010348300000000 ] - [ -0.0000348400000000, -0.0000154000000000, 0.0002828000000000 ] - [ 0.0000560800000000, -0.0000546500000000, 0.0001441100000000 ] - [ 0.0001194900000000, -0.0002346100000000, 0.0000007800000000 ] - [ -0.0003367400000000, 0.0008066600000000, -0.0001763400000000 ] - [ 0.0005546800000000, -0.0002254500000000, -0.0002353600000000 ] - [ 0.0004882300000000, 0.0000842900000000, 0.0007387900000000 ] - [ -0.0000049900000000, 0.0000944900000000, 0.0000464300000000 ] - [ -0.0000756700000000, 0.0001280500000000, -0.0001431000000000 ] - [ 0.0006290400000000, -0.0000188400000000, 0.0002497800000000 ] - [ 0.0012446900000000, -0.0006345700000000, -0.0000688900000000 ] - [ -0.0153918200000000, -0.0177825500000000, -0.0011577300000000 ] - [ -0.0004510000000000, 0.0002723100000000, 0.0003064400000000 ] - [ 0.0013750500000000, -0.0010454800000000, -0.0004121500000000 ] - [ 0.0000936600000000, -0.0001086600000000, -0.0001134400000000 ] - [ 0.0003757300000000, 0.0002568200000000, 0.0000526100000000 ] - [ 0.0006297700000000, -0.0000491100000000, -0.0002254900000000 ] - [ -0.0000768400000000, -0.0003111600000000, 0.0003559800000000 ] - [ -0.0005752200000000, -0.0005410100000000, -0.0000037600000000 ] - [ -0.0009101500000000, -0.0011786000000000, 0.0006550500000000 ] - [ -0.0011970900000000, 0.0027717100000000, 0.0000344300000000 ] - [ 0.0003247000000000, 0.0002319800000000, 0.0002624500000000 ] - [ -0.0038628800000000, -0.0201638500000000, 0.0068185500000000 ] - [ 0.0002034800000000, -0.0001968400000000, -0.0000548800000000 ] - [ -0.0003271200000000, 0.0002387100000000, 0.0005124200000000 ] - [ 0.0000921500000000, 0.0000591500000000, 0.0000320400000000 ] - [ -0.0001202300000000, -0.0001095100000000, -0.0000621200000000 ] - [ -0.0004572300000000, 0.0002134200000000, 0.0006969900000000 ] - [ -0.0000402700000000, -0.0000718200000000, -0.0001273100000000 ] - [ 0.0248313000000000, 0.0445658600000000, 0.0010373800000000 ] - [ 0.0002869500000000, 0.0004183800000000, -0.0000348800000000 ] - [ -0.0001212900000000, 0.0000697700000000, 0.0001245800000000 ] - [ 0.0000176200000000, -0.0000466300000000, -0.0002321800000000 ] - [ 0.0000886300000000, -0.0001275300000000, 0.0000463800000000 ] - [ -0.0002045200000000, -0.0003104700000000, -0.0003209600000000 ] - [ 0.0011060200000000, -0.0034167800000000, -0.0030361400000000 ] - [ 0.0007130400000000, -0.0019456900000000, 0.0003129700000000 ] - [ -0.0004582900000000, 0.0001005300000000, 0.0002464600000000 ] - [ -0.0002890200000000, 0.0001468300000000, -0.0001736000000000 ] - [ 0.0001393100000000, 0.0000362800000000, -0.0001096600000000 ] - [ -0.0023431700000000, -0.0010465500000000, 0.0017883100000000 ] - [ -0.0000363100000000, 0.0001281200000000, -0.0000168800000000 ] - [ -0.0004944400000000, 0.0042106700000000, -0.0020642900000000 ] - [ 0.0009166700000000, -0.0011284600000000, 0.0003758500000000 ] - [ -0.0000073600000000, -0.0000709900000000, -0.0000827000000000 ] - [ -0.0000867600000000, -0.0001538400000000, -0.0002756900000000 ] - [ 0.0000774200000000, 0.0001843700000000, -0.0002068400000000 ] - [ 0.0046027100000000, -0.0025423700000000, -0.0124006500000000 ] - [ -0.0000658800000000, -0.0001638700000000, -0.0003471300000000 ] - [ -0.0003251300000000, -0.0001657300000000, 0.0002375300000000 ] - [ 0.0007301300000000, 0.0028118100000000, 0.0004271500000000 ] - [ 0.0000756000000000, 0.0001527300000000, -0.0000340500000000 ] - [ -0.0078576800000000, -0.0016640600000000, 0.0118945000000000 ] - [ 0.0001054500000000, -0.0000092000000000, 0.0001508700000000 ] - [ -0.0001976800000000, 0.0002484100000000, -0.0002246300000000 ] - [ 0.0000191300000000, 0.0002124200000000, -0.0005207600000000 ] - [ -0.0000508700000000, 0.0000587400000000, -0.0001632900000000 ] - [ 0.0004505600000000, -0.0018041400000000, -0.0012097500000000 ] - [ -0.0009441100000000, 0.0012048800000000, -0.0001318800000000 ] - [ 0.0000892100000000, -0.0002721500000000, -0.0003707300000000 ] - [ -0.0000474300000000, -0.0001638800000000, 0.0000948500000000 ] - [ 0.0001160300000000, -0.0001346700000000, -0.0000453600000000 ] - [ -0.0008286500000000, 0.0006783400000000, -0.0007880100000000 ] - [ -0.0001735800000000, 0.0001409200000000, -0.0003054500000000 ] - [ -0.0000064300000000, 0.0005647400000000, 0.0001795500000000 ] - [ -0.0002670200000000, -0.0000265000000000, -0.0001399500000000 ] - [ -0.0000093600000000, -0.0001560000000000, 0.0002261500000000 ] - [ -0.0001194900000000, 0.0001404300000000, -0.0002218900000000 ] - [ 0.0002655800000000, -0.0001433400000000, -0.0001714800000000 ] - [ 0.0001935000000000, -0.0000023400000000, -0.0000968500000000 ] - [ -0.0004397900000000, 0.0000444100000000, 0.0003134600000000 ] - [ -0.0000087300000000, 0.0000715100000000, -0.0000044700000000 ] - [ 0.0001458600000000, 0.0000335800000000, 0.0000670500000000 ]- atom: 41 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0001373000000000, 0.0002662900000000, -0.0006171500000000 ] - [ 0.0002359600000000, -0.0003579800000000, 0.0018597800000000 ] - [ 0.0006344200000000, 0.0003027700000000, -0.0009266400000000 ] - [ 0.0000983700000000, 0.0000743500000000, 0.0003253600000000 ] - [ -0.0002382300000000, -0.0002438200000000, -0.0005385100000000 ] - [ 0.0000167200000000, -0.0003049700000000, -0.0005759700000000 ] - [ -0.0002099300000000, 0.0002403200000000, -0.0001097900000000 ] - [ -0.0001639800000000, 0.0002395600000000, -0.0004393300000000 ] - [ -0.0000967700000000, 0.0005555700000000, -0.0009873000000000 ] - [ 0.0009316900000000, 0.0002645500000000, -0.0004721300000000 ] - [ 0.0004874200000000, 0.0011617400000000, 0.0021914600000000 ] - [ -0.0004837400000000, 0.0007214300000000, 0.0015035700000000 ] - [ 0.0000240200000000, -0.0000135700000000, -0.0002351000000000 ] - [ -0.0002680800000000, -0.0002681000000000, 0.0001981500000000 ] - [ 0.0001844300000000, -0.0002469600000000, -0.0004582900000000 ] - [ 0.0003272900000000, 0.0002186500000000, 0.0000576700000000 ] - [ 0.0000032300000000, -0.0000987600000000, 0.0003085500000000 ] - [ -0.0004288100000000, -0.0005860400000000, -0.0010007000000000 ] - [ -0.0000387100000000, 0.0000875800000000, -0.0004379400000000 ] - [ 0.0003529200000000, -0.0000728500000000, -0.0004625400000000 ] - [ 0.0001625400000000, -0.0003805300000000, -0.0009789900000000 ] - [ -0.0003317900000000, -0.0000739700000000, 0.0010252100000000 ] - [ -0.0066474100000000, -0.0063286900000000, 0.0108257500000000 ] - [ -0.0003046400000000, 0.0002531100000000, -0.0012280800000000 ] - [ 0.0002186700000000, 0.0005564200000000, 0.0012651700000000 ] - [ -0.0001183900000000, -0.0004697400000000, -0.0004172800000000 ] - [ -0.0002675400000000, 0.0003461700000000, -0.0007775500000000 ] - [ 0.0004115200000000, 0.0003222300000000, 0.0000903900000000 ] - [ -0.0000992400000000, 0.0002207100000000, -0.0006366000000000 ] - [ 0.0001356600000000, 0.0001338200000000, -0.0006817600000000 ] - [ -0.0029318300000000, 0.0003187900000000, 0.0023473100000000 ] - [ -0.0031365800000000, -0.0007562600000000, 0.0042869700000000 ] - [ 0.0003105400000000, 0.0004660800000000, -0.0010336700000000 ] - [ -0.0194860900000000, -0.0000597100000000, 0.1133645500000000 ] - [ 0.0001439600000000, -0.0003441300000000, -0.0014185300000000 ] - [ 0.0000374100000000, 0.0001442400000000, 0.0001140300000000 ] - [ -0.0002642800000000, 0.0000111400000000, 0.0004036900000000 ] - [ -0.0001265600000000, -0.0003028600000000, 0.0004329200000000 ] - [ -0.0002480700000000, -0.0002831400000000, -0.0010350900000000 ] - [ 0.0000314200000000, -0.0000434600000000, 0.0003983300000000 ] - [ 0.0250013000000000, 0.0044955800000000, -0.1588148600000000 ] - [ -0.0001759600000000, -0.0002431100000000, 0.0004458200000000 ] - [ -0.0002378200000000, -0.0001674600000000, -0.0002822700000000 ] - [ 0.0001838100000000, 0.0001821200000000, 0.0003650600000000 ] - [ 0.0000863900000000, -0.0003051100000000, 0.0008935700000000 ] - [ 0.0005219000000000, -0.0000591000000000, 0.0000431000000000 ] - [ 0.0015793800000000, 0.0036935400000000, -0.0001855500000000 ] - [ 0.0007831400000000, 0.0000098300000000, -0.0010171800000000 ] - [ -0.0000366600000000, -0.0000674600000000, -0.0002523900000000 ] - [ -0.0000490000000000, 0.0003677000000000, 0.0012137400000000 ] - [ 0.0003911500000000, 0.0000336600000000, 0.0001398900000000 ] - [ 0.0011646100000000, 0.0002496500000000, -0.0017914200000000 ] - [ -0.0002519900000000, -0.0000861500000000, 0.0003061300000000 ] - [ 0.0045294700000000, -0.0002386300000000, 0.0082468500000000 ] - [ 0.0003698600000000, 0.0009241000000000, -0.0020793500000000 ] - [ 0.0006028400000000, -0.0002019100000000, 0.0008304500000000 ] - [ -0.0001168600000000, -0.0000832300000000, -0.0000678800000000 ] - [ -0.0000526300000000, 0.0003111800000000, 0.0002805400000000 ] - [ -0.0039358600000000, 0.0067992600000000, 0.0095183500000000 ] - [ -0.0000939500000000, 0.0000071000000000, 0.0001339200000000 ] - [ -0.0000847800000000, -0.0002873000000000, -0.0001949800000000 ] - [ 0.0073358900000000, 0.0009273000000000, 0.0021574200000000 ] - [ 0.0000385500000000, 0.0001524900000000, 0.0010140000000000 ] - [ -0.0104558800000000, -0.0117884900000000, 0.0096325700000000 ] - [ -0.0000231100000000, 0.0002528300000000, 0.0004676400000000 ] - [ 0.0000718600000000, 0.0001512800000000, -0.0006820500000000 ] - [ 0.0013682300000000, 0.0000451000000000, 0.0028648200000000 ] - [ 0.0000152900000000, 0.0001436900000000, 0.0001976400000000 ] - [ 0.0004580000000000, -0.0000918500000000, -0.0005266400000000 ] - [ 0.0002541900000000, 0.0001645000000000, -0.0010633000000000 ] - [ -0.0003921400000000, -0.0001205400000000, 0.0000126400000000 ] - [ -0.0001909700000000, -0.0002309100000000, 0.0002116300000000 ] - [ -0.0003350700000000, 0.0001870300000000, 0.0003896400000000 ] - [ 0.0010606000000000, 0.0001654900000000, -0.0003736100000000 ] - [ 0.0000786800000000, 0.0000720200000000, 0.0000664000000000 ] - [ 0.0009896900000000, -0.0001657000000000, -0.0002321400000000 ] - [ -0.0002568600000000, -0.0000920900000000, 0.0005933900000000 ] - [ 0.0004223600000000, -0.0001593500000000, 0.0001038200000000 ] - [ -0.0003241600000000, -0.0002547300000000, 0.0003674500000000 ] - [ 0.0000418900000000, -0.0002572700000000, 0.0005250400000000 ] - [ 0.0005157700000000, -0.0000444100000000, 0.0001742700000000 ] - [ -0.0001450000000000, -0.0002682000000000, -0.0000342400000000 ] - [ 0.0001469200000000, -0.0000295800000000, 0.0005387100000000 ] - [ 0.0001521200000000, 0.0002371200000000, 0.0003334000000000 ]- atom: 41 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0004878300000000, -0.0001052400000000, 0.0002970500000000 ] - [ -0.0002271400000000, 0.0001905300000000, -0.0019457400000000 ] - [ -0.0006420100000000, -0.0001422900000000, 0.0010189300000000 ] - [ 0.0002710800000000, 0.0001426900000000, -0.0005546100000000 ] - [ -0.0003869300000000, 0.0004084300000000, 0.0008566500000000 ] - [ 0.0003550400000000, 0.0000890400000000, 0.0003468800000000 ] - [ -0.0000350200000000, 0.0001870100000000, 0.0002653000000000 ] - [ -0.0002069200000000, -0.0004605800000000, 0.0006668400000000 ] - [ 0.0001236200000000, -0.0005578600000000, 0.0006240100000000 ] - [ -0.0012991100000000, -0.0000465800000000, 0.0006971100000000 ] - [ -0.0005148700000000, -0.0011707900000000, -0.0018360500000000 ] - [ 0.0007246100000000, -0.0002880300000000, -0.0016663600000000 ] - [ -0.0000503300000000, 0.0000159000000000, 0.0005971500000000 ] - [ 0.0000222000000000, -0.0001584200000000, -0.0000447300000000 ] - [ 0.0000593000000000, -0.0001800700000000, 0.0003030900000000 ] - [ -0.0009493800000000, -0.0003821800000000, 0.0002622900000000 ] - [ 0.0006200600000000, -0.0000632500000000, -0.0006283500000000 ] - [ 0.0004258000000000, 0.0004238400000000, 0.0010857200000000 ] - [ 0.0000419100000000, 0.0000750800000000, 0.0003496300000000 ] - [ -0.0003256700000000, 0.0000744100000000, 0.0000992900000000 ] - [ 0.0007611400000000, 0.0001818800000000, 0.0009184400000000 ] - [ 0.0012593900000000, 0.0002716800000000, -0.0010986400000000 ] - [ 0.0058249300000000, 0.0062139200000000, -0.0108182300000000 ] - [ -0.0006187200000000, -0.0000600100000000, 0.0012882200000000 ] - [ 0.0001585900000000, -0.0000633300000000, -0.0020649700000000 ] - [ 0.0002052200000000, 0.0000175300000000, 0.0000514200000000 ] - [ 0.0003572200000000, 0.0001070400000000, 0.0004147100000000 ] - [ 0.0002431600000000, -0.0009915900000000, -0.0001144400000000 ] - [ 0.0000132900000000, -0.0006787700000000, 0.0010008300000000 ] - [ -0.0007912800000000, -0.0008024600000000, 0.0006986600000000 ] - [ 0.0024974800000000, -0.0008040300000000, -0.0016107200000000 ] - [ 0.0024985200000000, 0.0014134700000000, -0.0042845300000000 ] - [ 0.0003438600000000, 0.0002001900000000, 0.0010141000000000 ] - [ 0.0185347300000000, 0.0006279800000000, -0.1063783100000000 ] - [ 0.0002399300000000, -0.0001484200000000, 0.0006105500000000 ] - [ -0.0004201100000000, 0.0003492800000000, 0.0006913200000000 ] - [ 0.0002676500000000, 0.0001519400000000, -0.0004186500000000 ] - [ -0.0001357800000000, -0.0000375400000000, -0.0003442300000000 ] - [ 0.0003603500000000, -0.0000517500000000, 0.0014868200000000 ] - [ -0.0000354100000000, -0.0001165000000000, -0.0003831600000000 ] - [ -0.0238448800000000, -0.0043041100000000, 0.1522469400000000 ] - [ 0.0004390900000000, 0.0005842600000000, -0.0005368300000000 ] - [ 0.0004417900000000, 0.0003760600000000, 0.0004527100000000 ] - [ -0.0000319600000000, -0.0001519600000000, -0.0005175300000000 ] - [ 0.0000543900000000, 0.0000135300000000, -0.0004843500000000 ] - [ -0.0005441600000000, -0.0000712100000000, -0.0001985900000000 ] - [ -0.0015964800000000, -0.0038655100000000, 0.0001906800000000 ] - [ -0.0005270800000000, -0.0003600100000000, 0.0009334400000000 ] - [ -0.0002266200000000, 0.0004106400000000, 0.0003437000000000 ] - [ -0.0003606700000000, -0.0000227200000000, -0.0010593700000000 ] - [ 0.0001776800000000, -0.0000577000000000, -0.0001281900000000 ] - [ -0.0010282500000000, -0.0006902300000000, 0.0015769300000000 ] - [ 0.0000509700000000, 0.0002920500000000, -0.0004721800000000 ] - [ -0.0044248300000000, 0.0001047600000000, -0.0079646500000000 ] - [ 0.0000340500000000, -0.0005729300000000, 0.0019247900000000 ] - [ -0.0004003800000000, -0.0000032900000000, -0.0006637200000000 ] - [ -0.0000256000000000, -0.0002106600000000, -0.0003409200000000 ] - [ 0.0001725000000000, 0.0001363100000000, -0.0004803200000000 ] - [ 0.0035183300000000, -0.0068293500000000, -0.0096235400000000 ] - [ -0.0000329300000000, -0.0002169300000000, -0.0006075200000000 ] - [ -0.0003255900000000, -0.0000557200000000, 0.0003551300000000 ] - [ -0.0075300100000000, -0.0009138100000000, -0.0019492800000000 ] - [ 0.0000722400000000, 0.0001816300000000, -0.0005620100000000 ] - [ 0.0097392200000000, 0.0116282900000000, -0.0094540500000000 ] - [ 0.0001497700000000, -0.0000430900000000, 0.0000062000000000 ] - [ 0.0000829800000000, -0.0001809200000000, 0.0005302900000000 ] - [ -0.0014903600000000, 0.0002883100000000, -0.0033509400000000 ] - [ -0.0000344700000000, -0.0000152100000000, -0.0003507300000000 ] - [ -0.0006679000000000, -0.0000950300000000, 0.0003790000000000 ] - [ -0.0003695300000000, 0.0000441900000000, 0.0005856500000000 ] - [ 0.0002798300000000, -0.0002145900000000, -0.0004657100000000 ] - [ 0.0000709600000000, -0.0002171300000000, -0.0000119000000000 ] - [ 0.0001824400000000, -0.0002171800000000, -0.0002361600000000 ] - [ -0.0009308400000000, -0.0003854200000000, 0.0008645500000000 ] - [ -0.0002224200000000, 0.0002219900000000, -0.0004779100000000 ] - [ -0.0011204800000000, 0.0006178000000000, 0.0004377300000000 ] - [ -0.0003127300000000, 0.0000700300000000, -0.0006032200000000 ] - [ -0.0000786400000000, 0.0000191000000000, 0.0001472600000000 ] - [ -0.0000208500000000, 0.0003994500000000, -0.0006226900000000 ] - [ 0.0003668400000000, -0.0000872900000000, -0.0006836300000000 ] - [ 0.0000526400000000, 0.0000666300000000, -0.0001655500000000 ] - [ 0.0001392300000000, 0.0004301600000000, 0.0000512500000000 ] - [ -0.0001281900000000, 0.0001613300000000, -0.0003872700000000 ] - [ 0.0001926500000000, -0.0000966800000000, -0.0000807600000000 ]- atom: 43 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0007381700000000, -0.0000352000000000, -0.0002737900000000 ] - [ -0.0005271900000000, 0.0000714400000000, 0.0004849000000000 ] - [ -0.0007197500000000, -0.0000774500000000, -0.0010146200000000 ] - [ 0.0015009000000000, -0.0007450600000000, -0.0003972300000000 ] - [ -0.0005128500000000, 0.0001985900000000, 0.0001380800000000 ] - [ 0.0004383500000000, -0.0000196400000000, -0.0001276000000000 ] - [ -0.0000278500000000, 0.0002019500000000, 0.0000771700000000 ] - [ -0.0004746600000000, -0.0002179000000000, 0.0001985700000000 ] - [ -0.0000351800000000, 0.0000118700000000, -0.0001293900000000 ] - [ -0.0003793400000000, 0.0002381800000000, -0.0000817600000000 ] - [ -0.0012466300000000, 0.0001815700000000, 0.0010358700000000 ] - [ -0.0008972500000000, 0.0004372800000000, -0.0003292700000000 ] - [ -0.0000238500000000, -0.0000154900000000, -0.0000024900000000 ] - [ 0.0011447000000000, -0.0007884300000000, 0.0007922000000000 ] - [ 0.0000566200000000, -0.0002101200000000, -0.0001451800000000 ] - [ -0.0005305700000000, -0.0002163100000000, 0.0000190000000000 ] - [ 0.0025328400000000, 0.0011560200000000, -0.0013493200000000 ] - [ -0.0000644100000000, -0.0000939400000000, 0.0000899600000000 ] - [ -0.0000412400000000, 0.0001012400000000, -0.0002312300000000 ] - [ -0.0004067700000000, 0.0003252800000000, -0.0008817700000000 ] - [ 0.0010390900000000, -0.0001990500000000, -0.0000240700000000 ] - [ 0.0118116100000000, 0.0045984900000000, 0.0049943200000000 ] - [ -0.0025926700000000, 0.0002523200000000, 0.0005337700000000 ] - [ -0.0007267700000000, -0.0000760400000000, -0.0005625700000000 ] - [ 0.0034973900000000, 0.0013769600000000, -0.0009839500000000 ] - [ -0.0002736900000000, 0.0000059200000000, -0.0008765000000000 ] - [ 0.0002034800000000, 0.0001948100000000, 0.0000560900000000 ] - [ 0.0976631300000000, -0.0090516400000000, 0.0354981000000000 ] - [ -0.0007599100000000, -0.0002279000000000, -0.0003988300000000 ] - [ -0.0004084300000000, -0.0003352300000000, -0.0001283900000000 ] - [ -0.0020591700000000, 0.0018015700000000, -0.0006845900000000 ] - [ -0.0013359700000000, 0.0008802000000000, 0.0002706000000000 ] - [ 0.0005094000000000, 0.0003893800000000, 0.0000074700000000 ] - [ -0.0007860900000000, 0.0003062600000000, 0.0004480000000000 ] - [ 0.0003025400000000, -0.0002455900000000, -0.0004185100000000 ] - [ 0.0006434000000000, 0.0005649400000000, -0.0011416800000000 ] - [ 0.0000734500000000, 0.0000858600000000, 0.0000480700000000 ] - [ -0.0002013100000000, -0.0002252600000000, 0.0000736400000000 ] - [ -0.0003537000000000, -0.0002994200000000, 0.0004859900000000 ] - [ -0.0001048000000000, -0.0000591500000000, 0.0000431700000000 ] - [ 0.0009166300000000, 0.0003691500000000, 0.0000358300000000 ] - [ 0.0001923900000000, 0.0001712100000000, 0.0000142500000000 ] - [ -0.1366230200000000, 0.0054404700000000, -0.0528259600000000 ] - [ -0.0000234700000000, 0.0000234300000000, -0.0000387900000000 ] - [ 0.0002180400000000, -0.0002525300000000, 0.0007457200000000 ] - [ -0.0000730300000000, -0.0001076200000000, -0.0004137700000000 ] - [ 0.0007936200000000, -0.0001725000000000, -0.0002008100000000 ] - [ 0.0009426300000000, -0.0005631300000000, -0.0001807300000000 ] - [ 0.0056816800000000, -0.0059931300000000, 0.0022953000000000 ] - [ -0.0003017200000000, 0.0001363800000000, 0.0000613400000000 ] - [ 0.0000062000000000, -0.0001474900000000, -0.0000286900000000 ] - [ -0.0003888000000000, -0.0005578700000000, 0.0000005900000000 ] - [ 0.0000074900000000, 0.0000972500000000, 0.0000335800000000 ] - [ 0.0007110200000000, -0.0000666700000000, 0.0000020000000000 ] - [ 0.0006870600000000, 0.0000367600000000, -0.0001707700000000 ] - [ -0.0000618200000000, -0.0001134900000000, 0.0000848100000000 ] - [ -0.0009359700000000, -0.0006912300000000, 0.0001915800000000 ] - [ 0.0000560700000000, 0.0001884300000000, -0.0000616200000000 ] - [ 0.0003066300000000, -0.0003406600000000, -0.0001590800000000 ] - [ -0.0000920400000000, -0.0000960900000000, -0.0001762200000000 ] - [ -0.0001838900000000, -0.0002310100000000, 0.0077947700000000 ] - [ 0.0001806100000000, -0.0001163800000000, -0.0000142000000000 ] - [ 0.0000015300000000, 0.0001631500000000, 0.0002041300000000 ] - [ 0.0001919600000000, 0.0002551700000000, 0.0000405300000000 ] - [ -0.0002705600000000, 0.0003150600000000, 0.0007056600000000 ] - [ -0.0011658100000000, -0.0002496600000000, -0.0006041200000000 ] - [ 0.0007453900000000, -0.0006698100000000, -0.0013785100000000 ] - [ -0.0000572900000000, 0.0000906500000000, 0.0000957100000000 ] - [ 0.0006113900000000, -0.0001335000000000, -0.0000912400000000 ] - [ 0.0023162300000000, -0.0044842300000000, -0.0001340100000000 ] - [ -0.0009300400000000, -0.0001980600000000, 0.0011290900000000 ] - [ -0.0003996300000000, -0.0003355300000000, 0.0004469400000000 ] - [ 0.0002463100000000, 0.0000870400000000, 0.0008904800000000 ] - [ -0.0002670700000000, -0.0003145100000000, 0.0003370600000000 ] - [ -0.0001389400000000, 0.0002089100000000, -0.0003755800000000 ] - [ 0.0020320800000000, -0.0027417500000000, -0.0007603200000000 ] - [ -0.0000359500000000, -0.0001359700000000, 0.0002117600000000 ] - [ 0.0000660300000000, -0.0000747500000000, -0.0000058700000000 ] - [ 0.0000732100000000, 0.0000995200000000, 0.0000757600000000 ] - [ 0.0002603700000000, -0.0001363000000000, 0.0000519600000000 ] - [ 0.0001321100000000, 0.0000506900000000, -0.0002658600000000 ] - [ 0.0172424400000000, 0.0105458200000000, 0.0062821900000000 ] - [ 0.0007006000000000, 0.0001508700000000, 0.0006079100000000 ] - [ -0.0000356500000000, 0.0002526000000000, 0.0004349500000000 ]- atom: 43 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ -0.0001247100000000, 0.0002060300000000, -0.0000426100000000 ] - [ 0.0005350500000000, -0.0002314500000000, -0.0005790800000000 ] - [ 0.0007115400000000, 0.0002361600000000, 0.0011097700000000 ] - [ -0.0011255300000000, 0.0009678100000000, 0.0001662300000000 ] - [ -0.0001000800000000, -0.0000277500000000, 0.0001794500000000 ] - [ -0.0000670100000000, -0.0001976000000000, -0.0001024600000000 ] - [ -0.0002152800000000, 0.0002316400000000, 0.0000757100000000 ] - [ 0.0001049200000000, 0.0000008700000000, 0.0000329000000000 ] - [ 0.0000616400000000, -0.0000135800000000, -0.0002318300000000 ] - [ 0.0000110800000000, -0.0000200900000000, 0.0003102500000000 ] - [ 0.0012180600000000, -0.0001844800000000, -0.0006778900000000 ] - [ 0.0011726600000000, 0.0000024900000000, 0.0001739000000000 ] - [ -0.0000037300000000, 0.0000177400000000, 0.0003621800000000 ] - [ -0.0013847800000000, 0.0003470100000000, -0.0006321900000000 ] - [ 0.0001865800000000, -0.0002238400000000, -0.0000070000000000 ] - [ -0.0000814000000000, 0.0000452300000000, 0.0002954700000000 ] - [ -0.0019218600000000, -0.0013445700000000, 0.0010635800000000 ] - [ 0.0000557000000000, -0.0000664200000000, -0.0000006900000000 ] - [ 0.0000492300000000, 0.0000591100000000, 0.0001399500000000 ] - [ 0.0004329100000000, -0.0003218700000000, 0.0005243400000000 ] - [ -0.0001179800000000, 0.0000039600000000, -0.0000446400000000 ] - [ -0.0108561500000000, -0.0043775000000000, -0.0050671300000000 ] - [ 0.0016735400000000, -0.0004508800000000, -0.0004577900000000 ] - [ -0.0001928000000000, 0.0002697900000000, 0.0006301700000000 ] - [ -0.0030777100000000, -0.0008942700000000, 0.0001656600000000 ] - [ 0.0003579600000000, -0.0004553000000000, 0.0005156000000000 ] - [ -0.0001209200000000, 0.0002514000000000, -0.0004144000000000 ] - [ -0.1018411200000000, 0.0093132900000000, -0.0381490200000000 ] - [ 0.0006674800000000, -0.0002170900000000, 0.0007539800000000 ] - [ -0.0002446700000000, -0.0003197000000000, 0.0001389400000000 ] - [ 0.0016805100000000, -0.0022917100000000, 0.0014877600000000 ] - [ 0.0006798600000000, -0.0002190900000000, -0.0002568100000000 ] - [ 0.0001444800000000, 0.0002664300000000, -0.0000185700000000 ] - [ 0.0006947600000000, 0.0001405200000000, -0.0000929200000000 ] - [ 0.0000773600000000, -0.0002461100000000, -0.0003953000000000 ] - [ -0.0010235100000000, -0.0000684900000000, 0.0019599300000000 ] - [ -0.0000605300000000, 0.0000817000000000, -0.0000651000000000 ] - [ -0.0000621400000000, -0.0001224200000000, 0.0000147800000000 ] - [ 0.0004615300000000, -0.0000322800000000, -0.0000397400000000 ] - [ 0.0000914000000000, -0.0001073300000000, -0.0000245000000000 ] - [ -0.0007608800000000, -0.0000622400000000, 0.0003738200000000 ] - [ 0.0000706800000000, 0.0001754300000000, -0.0001008900000000 ] - [ 0.1419147200000000, -0.0059701100000000, 0.0557804300000000 ] - [ 0.0001988000000000, 0.0000215500000000, -0.0000898800000000 ] - [ -0.0000630500000000, -0.0000544700000000, -0.0003336600000000 ] - [ 0.0000351600000000, -0.0000281800000000, 0.0002527200000000 ] - [ -0.0007784900000000, 0.0000049600000000, 0.0001819900000000 ] - [ -0.0006743700000000, 0.0002128500000000, 0.0000907700000000 ] - [ -0.0060472500000000, 0.0064343900000000, -0.0022470700000000 ] - [ -0.0001130500000000, 0.0001978200000000, 0.0000907800000000 ] - [ 0.0005703700000000, 0.0001267300000000, 0.0000394300000000 ] - [ 0.0004682800000000, 0.0001106500000000, -0.0001856700000000 ] - [ -0.0002075700000000, 0.0001173500000000, -0.0002028000000000 ] - [ -0.0006678600000000, -0.0000691300000000, 0.0001624400000000 ] - [ -0.0002710200000000, 0.0002973700000000, 0.0000164300000000 ] - [ 0.0002632500000000, -0.0001012700000000, 0.0000867700000000 ] - [ 0.0007964900000000, 0.0003958900000000, -0.0005985600000000 ] - [ 0.0000318700000000, 0.0002531000000000, -0.0001254000000000 ] - [ -0.0006652100000000, 0.0002163600000000, -0.0000881400000000 ] - [ -0.0000505000000000, -0.0000962600000000, -0.0002800100000000 ] - [ -0.0001954300000000, -0.0001033000000000, -0.0076781500000000 ] - [ -0.0003591300000000, 0.0001611200000000, 0.0001405400000000 ] - [ 0.0001136200000000, 0.0001716500000000, 0.0002377400000000 ] - [ -0.0007642000000000, -0.0002328900000000, -0.0000346200000000 ] - [ 0.0004109000000000, -0.0001213700000000, -0.0002444400000000 ] - [ 0.0013322800000000, 0.0002202200000000, 0.0004706500000000 ] - [ -0.0008563000000000, 0.0009991800000000, 0.0009264600000000 ] - [ 0.0000207900000000, 0.0000452500000000, -0.0002556500000000 ] - [ -0.0008095200000000, -0.0000815200000000, -0.0000802500000000 ] - [ -0.0024518900000000, 0.0046320100000000, -0.0003188600000000 ] - [ 0.0008040200000000, -0.0001432800000000, -0.0015861300000000 ] - [ 0.0003090600000000, -0.0001082300000000, -0.0002585000000000 ] - [ -0.0004192500000000, -0.0001317300000000, -0.0007583100000000 ] - [ 0.0003986000000000, 0.0001215700000000, 0.0001188000000000 ] - [ -0.0000148100000000, 0.0000976600000000, -0.0000347500000000 ] - [ -0.0021242100000000, 0.0031640700000000, 0.0009413700000000 ] - [ -0.0005354200000000, 0.0001129100000000, -0.0002055200000000 ] - [ 0.0002963500000000, -0.0000469300000000, 0.0002548400000000 ] - [ -0.0004327500000000, 0.0000238600000000, -0.0003251000000000 ] - [ 0.0001543300000000, -0.0001972900000000, -0.0002045600000000 ] - [ 0.0004431700000000, -0.0000315900000000, 0.0002582700000000 ] - [ -0.0175570500000000, -0.0105974600000000, -0.0063594700000000 ] - [ -0.0006559300000000, -0.0000149600000000, -0.0004428000000000 ] - [ 0.0003960500000000, -0.0001291100000000, -0.0001859600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002380500000000, 0.0002539800000000, -0.0002481200000000 ] - [ 0.0002375800000000, -0.0007896300000000, -0.0002191400000000 ] - [ 0.0000108900000000, 0.0003588000000000, -0.0002759100000000 ] - [ -0.0002108900000000, -0.0000626900000000, -0.0007737000000000 ] - [ -0.0002358700000000, -0.0000279200000000, 0.0001524600000000 ] - [ 0.0002244000000000, -0.0002325300000000, -0.0002575200000000 ] - [ -0.0001398100000000, 0.0001703700000000, 0.0000109300000000 ] - [ -0.0000511000000000, 0.0000300600000000, 0.0000908500000000 ] - [ 0.0000585000000000, -0.0000653500000000, -0.0002145200000000 ] - [ -0.0001907700000000, 0.0001786300000000, 0.0001579400000000 ] - [ 0.0003037100000000, 0.0008341400000000, 0.0000884300000000 ] - [ 0.0002075400000000, 0.0003807300000000, -0.0000640000000000 ] - [ -0.0000761000000000, 0.0000602100000000, 0.0000495400000000 ] - [ -0.0004982700000000, -0.0006389400000000, 0.0006054900000000 ] - [ 0.0001304600000000, -0.0001963600000000, -0.0001430600000000 ] - [ -0.0003583300000000, -0.0001645700000000, 0.0001219700000000 ] - [ 0.0015243400000000, 0.0017153800000000, -0.0014795200000000 ] - [ 0.0000173600000000, -0.0000168500000000, 0.0000219200000000 ] - [ -0.0000085700000000, 0.0000244600000000, -0.0001179200000000 ] - [ 0.0001316500000000, -0.0003603300000000, 0.0006175500000000 ] - [ 0.0004156000000000, 0.0000860300000000, -0.0004200900000000 ] - [ 0.0014368700000000, 0.0108434100000000, 0.0033151900000000 ] - [ -0.0004437500000000, -0.0009159200000000, 0.0005704100000000 ] - [ -0.0004615800000000, -0.0000744900000000, -0.0001888600000000 ] - [ 0.0019185900000000, -0.0005597300000000, -0.0001650700000000 ] - [ -0.0001132100000000, -0.0014978300000000, -0.0013115100000000 ] - [ 0.0001519200000000, 0.0003434000000000, -0.0004661600000000 ] - [ -0.0026937500000000, 0.0210047700000000, -0.0007963400000000 ] - [ 0.0001179000000000, -0.0000533500000000, 0.0000610000000000 ] - [ -0.0002888400000000, -0.0003400500000000, -0.0000944900000000 ] - [ 0.0006881600000000, -0.0008562700000000, 0.0003618000000000 ] - [ -0.0000803000000000, 0.0000439100000000, -0.0000218800000000 ] - [ 0.0003344200000000, 0.0003581400000000, -0.0000614500000000 ] - [ -0.0000382400000000, 0.0003271600000000, 0.0005036100000000 ] - [ 0.0001766500000000, -0.0002928000000000, -0.0005498300000000 ] - [ 0.0001962400000000, 0.0002790100000000, -0.0002692500000000 ] - [ -0.0000064700000000, 0.0001222000000000, 0.0000323500000000 ] - [ -0.0001662000000000, -0.0002190900000000, 0.0001393200000000 ] - [ -0.0001650200000000, 0.0001500500000000, -0.0001216000000000 ] - [ -0.0000266800000000, -0.0001397600000000, 0.0000686200000000 ] - [ 0.0002381100000000, 0.0001952000000000, -0.0000402900000000 ] - [ 0.0001313900000000, 0.0001824700000000, -0.0000123700000000 ] - [ 0.0057936800000000, -0.0353034800000000, -0.0024541800000000 ] - [ 0.0001121400000000, 0.0000683900000000, 0.0000244600000000 ] - [ 0.0000515100000000, -0.0001926200000000, 0.0003013300000000 ] - [ -0.0001315500000000, -0.0000913200000000, 0.0000560300000000 ] - [ -0.0001599900000000, 0.0002155200000000, -0.0000575200000000 ] - [ -0.0003663500000000, -0.0001478700000000, -0.0001708100000000 ] - [ -0.0124396900000000, 0.0035096600000000, -0.0024967100000000 ] - [ -0.0002410100000000, 0.0001422500000000, 0.0001326400000000 ] - [ 0.0010561200000000, 0.0000020400000000, 0.0024939100000000 ] - [ -0.0000209700000000, 0.0004611700000000, -0.0000051400000000 ] - [ -0.0000933200000000, 0.0001320200000000, -0.0000491700000000 ] - [ 0.0000437100000000, -0.0000515500000000, 0.0000255300000000 ] - [ 0.0000404800000000, 0.0002767500000000, -0.0001254600000000 ] - [ 0.0001103400000000, -0.0001706100000000, 0.0001756100000000 ] - [ 0.0021726100000000, 0.0015344900000000, 0.0002705000000000 ] - [ -0.0000017100000000, 0.0002639300000000, -0.0000236000000000 ] - [ -0.0002367300000000, -0.0001442400000000, -0.0001947200000000 ] - [ -0.0000822100000000, -0.0000750900000000, -0.0001388400000000 ] - [ -0.0018215900000000, -0.0058965600000000, -0.0021995200000000 ] - [ -0.0003986500000000, 0.0001223400000000, -0.0001228300000000 ] - [ 0.0000400400000000, 0.0001690700000000, 0.0003278600000000 ] - [ -0.0002941000000000, 0.0001331800000000, -0.0001607300000000 ] - [ 0.0000659100000000, 0.0000885400000000, 0.0003571300000000 ] - [ -0.0002365900000000, 0.0014322000000000, -0.0009548600000000 ] - [ -0.0003559000000000, 0.0004337700000000, 0.0001829500000000 ] - [ 0.0002517000000000, 0.0003264800000000, 0.0002231700000000 ] - [ -0.0001285200000000, 0.0000000000000000, -0.0001204200000000 ] - [ -0.0034867200000000, 0.0017151900000000, -0.0006666400000000 ] - [ -0.0002243600000000, -0.0002449600000000, 0.0005344100000000 ] - [ -0.0001120300000000, -0.0003438700000000, 0.0001590500000000 ] - [ -0.0000102400000000, 0.0000406400000000, 0.0003971300000000 ] - [ -0.0013157700000000, 0.0005076900000000, 0.0003171500000000 ] - [ -0.0000841700000000, 0.0001352100000000, -0.0000128300000000 ] - [ -0.0020675600000000, 0.0000748500000000, 0.0015707100000000 ] - [ -0.0003116300000000, -0.0000218400000000, 0.0000575100000000 ] - [ -0.0000657500000000, 0.0000215400000000, 0.0004368000000000 ] - [ -0.0002245800000000, -0.0000660200000000, -0.0000356500000000 ] - [ 0.0002095000000000, -0.0001282200000000, 0.0000141800000000 ] - [ 0.0002502400000000, -0.0001108800000000, 0.0003612400000000 ] - [ 0.0121594700000000, 0.0001203400000000, 0.0026717600000000 ] - [ -0.0000031300000000, -0.0000496900000000, 0.0001062500000000 ] - [ -0.0000792800000000, 0.0006735500000000, 0.0001355400000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003757200000000, -0.0000861600000000, -0.0000684200000000 ] - [ -0.0002282300000000, 0.0006278500000000, 0.0001275200000000 ] - [ -0.0000263500000000, -0.0002034300000000, 0.0003621600000000 ] - [ 0.0005638800000000, 0.0003241600000000, 0.0005784600000000 ] - [ -0.0003765900000000, 0.0001988700000000, 0.0001636800000000 ] - [ 0.0001443900000000, 0.0000163400000000, 0.0000288400000000 ] - [ -0.0001045400000000, 0.0002625100000000, 0.0001419000000000 ] - [ -0.0003202000000000, -0.0002481300000000, 0.0001398000000000 ] - [ -0.0000312100000000, 0.0000627600000000, -0.0001456500000000 ] - [ -0.0001787500000000, 0.0000388800000000, 0.0000726600000000 ] - [ -0.0003354300000000, -0.0008335500000000, 0.0002737500000000 ] - [ 0.0000190500000000, 0.0000426700000000, -0.0000873600000000 ] - [ 0.0000498800000000, -0.0000589400000000, 0.0003116800000000 ] - [ 0.0002527400000000, 0.0002666400000000, -0.0004936100000000 ] - [ 0.0001128600000000, -0.0002369200000000, -0.0000097100000000 ] - [ -0.0002530500000000, -0.0000054500000000, 0.0001950100000000 ] - [ -0.0009323300000000, -0.0019040400000000, 0.0012093300000000 ] - [ -0.0000267600000000, -0.0001426600000000, 0.0000698800000000 ] - [ 0.0000185800000000, 0.0001364400000000, 0.0000263300000000 ] - [ -0.0001064100000000, 0.0003676800000000, -0.0009788400000000 ] - [ 0.0005006900000000, -0.0002835900000000, 0.0003509500000000 ] - [ -0.0005583700000000, -0.0111314800000000, -0.0037902800000000 ] - [ -0.0004626100000000, 0.0007141700000000, -0.0005162700000000 ] - [ -0.0004569700000000, 0.0002720100000000, 0.0002578000000000 ] - [ -0.0015747300000000, 0.0010265400000000, -0.0006372100000000 ] - [ 0.0002068300000000, 0.0010638200000000, 0.0009552800000000 ] - [ -0.0000644100000000, 0.0001072100000000, 0.0001066800000000 ] - [ 0.0035341900000000, -0.0217371000000000, 0.0008517400000000 ] - [ -0.0002108300000000, -0.0003961200000000, 0.0002968200000000 ] - [ -0.0003641600000000, -0.0003161400000000, 0.0001049900000000 ] - [ -0.0010819700000000, 0.0003783100000000, 0.0004485700000000 ] - [ -0.0005732800000000, 0.0006129100000000, 0.0000319000000000 ] - [ 0.0003167800000000, 0.0002970100000000, 0.0000508900000000 ] - [ -0.0000486000000000, 0.0001252300000000, -0.0001430900000000 ] - [ 0.0002007600000000, -0.0001961200000000, -0.0002596300000000 ] - [ -0.0005763100000000, 0.0002133500000000, 0.0010788000000000 ] - [ 0.0000191000000000, 0.0000455700000000, -0.0000497200000000 ] - [ -0.0000952500000000, -0.0001253300000000, -0.0000532000000000 ] - [ 0.0002858100000000, -0.0004816100000000, 0.0005596500000000 ] - [ 0.0000137200000000, -0.0000268400000000, -0.0000510300000000 ] - [ -0.0000831000000000, 0.0001108200000000, 0.0004481800000000 ] - [ 0.0001300000000000, 0.0001616400000000, -0.0000744700000000 ] - [ -0.0055824500000000, 0.0359447200000000, 0.0028812400000000 ] - [ 0.0000676000000000, -0.0000228900000000, -0.0001520300000000 ] - [ 0.0001034900000000, -0.0001140700000000, 0.0001107000000000 ] - [ 0.0000919900000000, -0.0000462500000000, -0.0002182000000000 ] - [ 0.0001717500000000, -0.0003836800000000, 0.0000414700000000 ] - [ 0.0006302200000000, -0.0001978300000000, 0.0000827400000000 ] - [ 0.0120557200000000, -0.0031281300000000, 0.0025831900000000 ] - [ -0.0001729200000000, 0.0001918900000000, 0.0000188800000000 ] - [ -0.0004929100000000, -0.0000289100000000, -0.0025340600000000 ] - [ 0.0001129900000000, -0.0008960700000000, -0.0001821300000000 ] - [ -0.0001070100000000, 0.0000825100000000, -0.0001204400000000 ] - [ -0.0000037700000000, -0.0000862300000000, 0.0001351200000000 ] - [ 0.0003741300000000, 0.0000578700000000, -0.0000270000000000 ] - [ 0.0000918200000000, -0.0000438800000000, -0.0000052600000000 ] - [ -0.0023471000000000, -0.0018496300000000, -0.0006801400000000 ] - [ 0.0000874800000000, 0.0001745300000000, -0.0001641100000000 ] - [ -0.0001229100000000, 0.0000172900000000, -0.0000561500000000 ] - [ -0.0000602800000000, -0.0001164600000000, -0.0003168900000000 ] - [ 0.0014661000000000, 0.0055556400000000, 0.0024296600000000 ] - [ 0.0002231900000000, -0.0000777000000000, 0.0002528100000000 ] - [ 0.0000770100000000, 0.0001651000000000, 0.0001061700000000 ] - [ -0.0002831600000000, -0.0001110500000000, 0.0001632400000000 ] - [ 0.0000775800000000, 0.0001025100000000, 0.0000999700000000 ] - [ 0.0004209300000000, -0.0014852500000000, 0.0008325900000000 ] - [ 0.0002439300000000, -0.0001043200000000, -0.0006236200000000 ] - [ -0.0002945200000000, -0.0001907100000000, -0.0003856200000000 ] - [ -0.0000707800000000, -0.0002146500000000, -0.0000473600000000 ] - [ 0.0033462000000000, -0.0014938000000000, 0.0002173400000000 ] - [ 0.0001052800000000, -0.0000957600000000, -0.0009732700000000 ] - [ 0.0000271200000000, -0.0000954000000000, 0.0000276400000000 ] - [ -0.0001683500000000, -0.0000861100000000, -0.0002693000000000 ] - [ 0.0014733500000000, -0.0007039700000000, 0.0001387800000000 ] - [ -0.0000704300000000, 0.0001711500000000, -0.0003969800000000 ] - [ 0.0020023100000000, 0.0003625800000000, -0.0014074500000000 ] - [ -0.0002606600000000, -0.0000010000000000, -0.0000516200000000 ] - [ 0.0004240900000000, -0.0001456800000000, -0.0001853600000000 ] - [ -0.0001347100000000, 0.0001922200000000, -0.0002149900000000 ] - [ 0.0002048500000000, -0.0002054900000000, -0.0001670400000000 ] - [ 0.0003238400000000, 0.0001301600000000, -0.0003678100000000 ] - [ -0.0121911000000000, 0.0000820100000000, -0.0026290700000000 ] - [ 0.0000458600000000, 0.0001879600000000, 0.0000566300000000 ] - [ 0.0004397000000000, -0.0005529900000000, 0.0001129800000000 ]- atom: 43 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0005206800000000, 0.0001503400000000, -0.0007239200000000 ] - [ 0.0001312300000000, -0.0001576100000000, 0.0000277000000000 ] - [ -0.0006033400000000, -0.0003074700000000, 0.0003534900000000 ] - [ 0.0000712400000000, -0.0004268700000000, -0.0003465400000000 ] - [ -0.0002684200000000, -0.0000483000000000, 0.0001774800000000 ] - [ 0.0002388400000000, -0.0002143600000000, -0.0003986900000000 ] - [ -0.0001435500000000, 0.0002075400000000, -0.0001283900000000 ] - [ -0.0000552000000000, 0.0000499800000000, 0.0001043300000000 ] - [ 0.0000925000000000, -0.0000438900000000, -0.0002879000000000 ] - [ -0.0003196000000000, 0.0001798700000000, 0.0000092100000000 ] - [ 0.0003229900000000, 0.0000456800000000, 0.0001617900000000 ] - [ -0.0008347200000000, 0.0002485600000000, 0.0004486100000000 ] - [ -0.0000231700000000, -0.0000303500000000, -0.0001014800000000 ] - [ 0.0000239500000000, -0.0006296200000000, 0.0015341200000000 ] - [ 0.0000797200000000, -0.0001963500000000, -0.0002929300000000 ] - [ -0.0004432800000000, -0.0001698500000000, 0.0000445900000000 ] - [ -0.0014853900000000, -0.0013317400000000, 0.0019604300000000 ] - [ 0.0000496300000000, -0.0000406900000000, -0.0000691800000000 ] - [ -0.0000099600000000, 0.0001125800000000, -0.0003094000000000 ] - [ -0.0004233700000000, 0.0003181200000000, 0.0002578400000000 ] - [ 0.0005121900000000, -0.0000513700000000, -0.0009863300000000 ] - [ 0.0004252800000000, 0.0052929800000000, 0.0117484600000000 ] - [ -0.0007656600000000, -0.0002882900000000, 0.0015421900000000 ] - [ -0.0006857000000000, 0.0000354400000000, -0.0007844200000000 ] - [ 0.0013726300000000, 0.0005185300000000, 0.0001077700000000 ] - [ -0.0006771200000000, -0.0008542900000000, -0.0002829800000000 ] - [ 0.0005891200000000, 0.0000984100000000, -0.0003987700000000 ] - [ 0.0207779000000000, -0.0029589000000000, 0.0326004700000000 ] - [ -0.0009356400000000, -0.0002535500000000, -0.0004197500000000 ] - [ -0.0003482300000000, -0.0003146600000000, -0.0002676200000000 ] - [ 0.0014781900000000, -0.0020884000000000, 0.0010213900000000 ] - [ -0.0002200900000000, 0.0002636900000000, 0.0003805900000000 ] - [ 0.0003639800000000, 0.0004138900000000, -0.0004560900000000 ] - [ -0.0000444200000000, 0.0003273700000000, 0.0005832500000000 ] - [ 0.0001089200000000, -0.0003709800000000, -0.0008970700000000 ] - [ 0.0000787400000000, 0.0000374600000000, -0.0007572600000000 ] - [ -0.0000167400000000, 0.0000983800000000, 0.0001323100000000 ] - [ -0.0002207500000000, -0.0003029000000000, 0.0002680400000000 ] - [ 0.0001770000000000, -0.0002875100000000, -0.0001605700000000 ] - [ -0.0001199400000000, -0.0000486300000000, 0.0002544700000000 ] - [ 0.0001032200000000, 0.0000605500000000, -0.0000905600000000 ] - [ 0.0001207600000000, 0.0001254900000000, 0.0000867300000000 ] - [ -0.0246100400000000, -0.0034813900000000, -0.0524210100000000 ] - [ 0.0001183400000000, 0.0001252300000000, 0.0001688300000000 ] - [ 0.0002806700000000, -0.0002822200000000, 0.0008887100000000 ] - [ -0.0002047300000000, -0.0000717600000000, -0.0000403000000000 ] - [ 0.0000549800000000, 0.0000060700000000, -0.0002491300000000 ] - [ 0.0000918700000000, -0.0001851600000000, -0.0002592200000000 ] - [ -0.0032209900000000, 0.0025778900000000, -0.0050215400000000 ] - [ -0.0002429600000000, 0.0001250300000000, 0.0004949100000000 ] - [ 0.0006345100000000, 0.0002086700000000, 0.0006849200000000 ] - [ 0.0001305700000000, -0.0002151500000000, -0.0003707900000000 ] - [ -0.0000084000000000, 0.0000665100000000, 0.0001051400000000 ] - [ -0.0001266500000000, -0.0000858500000000, -0.0000783000000000 ] - [ 0.0002349200000000, 0.0002238000000000, -0.0003849000000000 ] - [ 0.0001380100000000, -0.0001878400000000, 0.0003606100000000 ] - [ 0.0018095300000000, 0.0010657700000000, -0.0003785900000000 ] - [ 0.0000496200000000, 0.0002611000000000, 0.0000929400000000 ] - [ -0.0001476600000000, -0.0001701600000000, -0.0001905900000000 ] - [ -0.0000345600000000, -0.0000126400000000, -0.0000122900000000 ] - [ 0.0124667900000000, 0.0002445200000000, 0.0127349700000000 ] - [ -0.0006379000000000, 0.0003498100000000, -0.0003935900000000 ] - [ 0.0000235300000000, 0.0001716100000000, 0.0006127800000000 ] - [ -0.0002753100000000, -0.0000118300000000, -0.0001863500000000 ] - [ 0.0000709000000000, 0.0002328000000000, 0.0005318400000000 ] - [ -0.0000997700000000, 0.0007310700000000, -0.0014338000000000 ] - [ -0.0007239200000000, 0.0008147600000000, 0.0005298800000000 ] - [ 0.0003049000000000, 0.0001538200000000, 0.0001311800000000 ] - [ -0.0002555700000000, -0.0001325600000000, -0.0004043300000000 ] - [ -0.0000019600000000, -0.0007616600000000, -0.0008727200000000 ] - [ 0.0001798600000000, 0.0002667600000000, 0.0014854200000000 ] - [ -0.0001049900000000, -0.0001336200000000, 0.0004845800000000 ] - [ 0.0002459100000000, 0.0001544000000000, 0.0007373800000000 ] - [ -0.0008759200000000, 0.0004061200000000, 0.0000720900000000 ] - [ -0.0001983500000000, 0.0001964700000000, 0.0001931000000000 ] - [ -0.0030986100000000, 0.0022307800000000, 0.0011003300000000 ] - [ -0.0000116800000000, -0.0001762400000000, 0.0002733500000000 ] - [ -0.0001261500000000, -0.0000667400000000, 0.0003681400000000 ] - [ -0.0000280900000000, 0.0000726500000000, 0.0000396600000000 ] - [ 0.0002156700000000, -0.0001473300000000, 0.0001863300000000 ] - [ 0.0000180400000000, 0.0002312800000000, 0.0004947100000000 ] - [ -0.0022865900000000, -0.0022901400000000, -0.0063615500000000 ] - [ 0.0009196600000000, 0.0001515700000000, 0.0004863800000000 ] - [ 0.0003381400000000, 0.0001755000000000, 0.0001553700000000 ]- atom: 43 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0000911200000000, 0.0000186500000000, 0.0004041800000000 ] - [ -0.0001243600000000, -0.0000002400000000, -0.0001145000000000 ] - [ 0.0005916300000000, 0.0004680800000000, -0.0002670700000000 ] - [ 0.0002959100000000, 0.0006656300000000, 0.0001336400000000 ] - [ -0.0003442800000000, 0.0002166900000000, 0.0001386100000000 ] - [ 0.0001312900000000, -0.0000031800000000, 0.0001671600000000 ] - [ -0.0001011700000000, 0.0002254500000000, 0.0002799500000000 ] - [ -0.0003127900000000, -0.0002666300000000, 0.0001249800000000 ] - [ -0.0000653300000000, 0.0000411800000000, -0.0000725600000000 ] - [ -0.0000512300000000, 0.0000371500000000, 0.0002195700000000 ] - [ -0.0003555300000000, -0.0000482200000000, 0.0002062800000000 ] - [ 0.0010744500000000, 0.0001827300000000, -0.0005833600000000 ] - [ -0.0000040000000000, 0.0000327700000000, 0.0004611200000000 ] - [ -0.0002673600000000, 0.0002297500000000, -0.0013940100000000 ] - [ 0.0001638500000000, -0.0002367700000000, 0.0001391300000000 ] - [ -0.0001709200000000, 0.0000005800000000, 0.0002710000000000 ] - [ 0.0020331400000000, 0.0010781600000000, -0.0021649300000000 ] - [ -0.0000588500000000, -0.0001186900000000, 0.0001612400000000 ] - [ 0.0000189800000000, 0.0000467700000000, 0.0002160500000000 ] - [ 0.0004487200000000, -0.0003161300000000, -0.0006237000000000 ] - [ 0.0004034100000000, -0.0001479600000000, 0.0009095200000000 ] - [ 0.0004403100000000, -0.0053880300000000, -0.0119748300000000 ] - [ -0.0001675100000000, 0.0000937100000000, -0.0014564200000000 ] - [ -0.0002294000000000, 0.0001603500000000, 0.0008506600000000 ] - [ -0.0009724600000000, -0.0000202400000000, -0.0009265500000000 ] - [ 0.0007572400000000, 0.0004046800000000, -0.0000739100000000 ] - [ -0.0004948600000000, 0.0003486300000000, 0.0000403600000000 ] - [ -0.0202082400000000, 0.0022725100000000, -0.0323439900000000 ] - [ 0.0008480800000000, -0.0001935000000000, 0.0007764900000000 ] - [ -0.0003042200000000, -0.0003407900000000, 0.0002753000000000 ] - [ -0.0018460500000000, 0.0015875100000000, -0.0002257700000000 ] - [ -0.0004352900000000, 0.0003965500000000, -0.0003652300000000 ] - [ 0.0002873100000000, 0.0002422100000000, 0.0004424400000000 ] - [ -0.0000464500000000, 0.0001211400000000, -0.0002170000000000 ] - [ 0.0002686300000000, -0.0001189500000000, 0.0000831200000000 ] - [ -0.0004627900000000, 0.0004448200000000, 0.0015696100000000 ] - [ 0.0000277200000000, 0.0000681900000000, -0.0001474400000000 ] - [ -0.0000414500000000, -0.0000426200000000, -0.0001792100000000 ] - [ -0.0000581500000000, -0.0000482100000000, 0.0005941300000000 ] - [ 0.0001077900000000, -0.0001165700000000, -0.0002349400000000 ] - [ 0.0000537800000000, 0.0002458500000000, 0.0004945700000000 ] - [ 0.0001404500000000, 0.0002175900000000, -0.0001720400000000 ] - [ 0.0250059700000000, 0.0040790500000000, 0.0525225600000000 ] - [ 0.0000628600000000, -0.0000804700000000, -0.0002952800000000 ] - [ -0.0001300000000000, -0.0000221500000000, -0.0004796100000000 ] - [ 0.0001626500000000, -0.0000660300000000, -0.0001237800000000 ] - [ -0.0000401100000000, -0.0001746700000000, 0.0002307100000000 ] - [ 0.0001735200000000, -0.0001616800000000, 0.0001713600000000 ] - [ 0.0030129900000000, -0.0022494100000000, 0.0050973300000000 ] - [ -0.0001698000000000, 0.0002108200000000, -0.0003395800000000 ] - [ -0.0000584100000000, -0.0002224400000000, -0.0006770500000000 ] - [ -0.0000456500000000, -0.0002312900000000, 0.0001819100000000 ] - [ -0.0001918700000000, 0.0001457700000000, -0.0002719800000000 ] - [ 0.0001673900000000, -0.0000514400000000, 0.0002374600000000 ] - [ 0.0001812300000000, 0.0001094800000000, 0.0002303400000000 ] - [ 0.0000649100000000, -0.0000257500000000, -0.0001881600000000 ] - [ -0.0019689200000000, -0.0013776400000000, -0.0000296100000000 ] - [ 0.0000356300000000, 0.0001754500000000, -0.0002793100000000 ] - [ -0.0002104300000000, 0.0000444900000000, -0.0000619200000000 ] - [ -0.0001085300000000, -0.0001762100000000, -0.0004420100000000 ] - [ -0.0130472200000000, -0.0005750400000000, -0.0127700600000000 ] - [ 0.0004513000000000, -0.0003013000000000, 0.0005181800000000 ] - [ 0.0000930700000000, 0.0001623700000000, -0.0001742700000000 ] - [ -0.0002960600000000, 0.0000338500000000, 0.0001866600000000 ] - [ 0.0000730500000000, -0.0000428400000000, -0.0000733400000000 ] - [ 0.0002731800000000, -0.0007773300000000, 0.0012981200000000 ] - [ 0.0006067000000000, -0.0004807600000000, -0.0009674300000000 ] - [ -0.0003401600000000, -0.0000171100000000, -0.0002918400000000 ] - [ 0.0000548000000000, -0.0000835000000000, 0.0002329700000000 ] - [ -0.0001334700000000, 0.0009265000000000, 0.0004197100000000 ] - [ -0.0002834900000000, -0.0005933300000000, -0.0019174000000000 ] - [ 0.0000177600000000, -0.0003023000000000, -0.0002922600000000 ] - [ -0.0004242100000000, -0.0001964800000000, -0.0006042500000000 ] - [ 0.0010178100000000, -0.0005877900000000, 0.0003810000000000 ] - [ 0.0000442100000000, 0.0001088100000000, -0.0005990800000000 ] - [ 0.0030439300000000, -0.0018103000000000, -0.0009159900000000 ] - [ -0.0005626100000000, 0.0001549000000000, -0.0002685600000000 ] - [ 0.0004833000000000, -0.0000574300000000, -0.0001163800000000 ] - [ -0.0003329900000000, 0.0000512900000000, -0.0002889300000000 ] - [ 0.0001972900000000, -0.0001887000000000, -0.0003364400000000 ] - [ 0.0005534300000000, -0.0002091900000000, -0.0004951200000000 ] - [ 0.0023629900000000, 0.0024854800000000, 0.0063929900000000 ] - [ -0.0008800500000000, -0.0000150300000000, -0.0003204500000000 ] - [ 0.0000229100000000, -0.0000512200000000, 0.0000970700000000 ]- atom: 44 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0009457800000000, -0.0006964900000000, 0.0008506600000000 ] - [ -0.0000671500000000, 0.0000469100000000, -0.0002913900000000 ] - [ -0.0001386700000000, 0.0001423100000000, -0.0001100600000000 ] - [ 0.0004352700000000, 0.0000820500000000, -0.0001504700000000 ] - [ -0.0004867700000000, -0.0001309500000000, -0.0005465600000000 ] - [ 0.0009704000000000, 0.0005923300000000, 0.0007088000000000 ] - [ 0.0014711100000000, 0.0013266100000000, -0.0007134800000000 ] - [ -0.0002490500000000, 0.0000735000000000, -0.0003216100000000 ] - [ -0.0004778400000000, 0.0002447300000000, -0.0002234100000000 ] - [ -0.0001780400000000, 0.0000985600000000, 0.0003226300000000 ] - [ -0.0000574100000000, -0.0001295800000000, -0.0000648000000000 ] - [ 0.0001149300000000, 0.0002403200000000, -0.0001353100000000 ] - [ -0.0006972600000000, -0.0000402500000000, 0.0003166900000000 ] - [ 0.0000135700000000, -0.0002294900000000, 0.0000673900000000 ] - [ -0.0000124100000000, 0.0001387100000000, 0.0003349500000000 ] - [ -0.0004578900000000, -0.0000940400000000, 0.0003932400000000 ] - [ 0.0004976400000000, -0.0000936600000000, -0.0002467600000000 ] - [ -0.0004891800000000, -0.0003531900000000, -0.0000873800000000 ] - [ -0.0015115800000000, 0.0002920300000000, -0.0000219500000000 ] - [ -0.0001551600000000, -0.0000667400000000, -0.0002696400000000 ] - [ 0.0109735800000000, -0.0104423900000000, -0.0065619700000000 ] - [ 0.0008185600000000, 0.0001585800000000, 0.0000385000000000 ] - [ -0.0005026400000000, -0.0002342600000000, -0.0002919200000000 ] - [ -0.0044223900000000, 0.0006842600000000, 0.0030195900000000 ] - [ 0.0002817000000000, 0.0002384300000000, -0.0003219400000000 ] - [ -0.0007324000000000, 0.0004479900000000, -0.0003023300000000 ] - [ 0.0029403700000000, 0.0006256000000000, -0.0018772800000000 ] - [ 0.0004880700000000, -0.0004196600000000, -0.0000295400000000 ] - [ -0.0013469200000000, -0.0001434700000000, -0.0003235800000000 ] - [ -0.0006449200000000, -0.0005168600000000, 0.0016328500000000 ] - [ -0.0001185400000000, -0.0002930200000000, 0.0000939700000000 ] - [ -0.0005403800000000, 0.0003356200000000, -0.0003019900000000 ] - [ 0.0042527300000000, -0.0005477900000000, -0.0003592000000000 ] - [ -0.0003350400000000, 0.0001862900000000, -0.0000607600000000 ] - [ 0.1074927300000000, -0.0068270200000000, 0.0443381300000000 ] - [ 0.0005805600000000, 0.0017204000000000, 0.0010378900000000 ] - [ 0.0006230800000000, -0.0001822900000000, -0.0005441200000000 ] - [ -0.0008876300000000, -0.0004430200000000, 0.0001666700000000 ] - [ -0.0000101400000000, -0.0001748800000000, 0.0001739600000000 ] - [ -0.0003742400000000, 0.0030528500000000, 0.0009933300000000 ] - [ 0.0001678200000000, 0.0002016200000000, 0.0003311800000000 ] - [ 0.0005903800000000, 0.0006790100000000, -0.0005226400000000 ] - [ 0.0000033400000000, 0.0001132900000000, 0.0001026800000000 ] - [ -0.1424356700000000, 0.0165482100000000, -0.0543579900000000 ] - [ 0.0009199300000000, -0.0004162800000000, 0.0003791900000000 ] - [ 0.0010395100000000, -0.0000920400000000, 0.0022112900000000 ] - [ 0.0000713100000000, -0.0000586600000000, 0.0001516100000000 ] - [ 0.0001854200000000, -0.0001380100000000, 0.0001023700000000 ] - [ -0.0001877700000000, 0.0002210900000000, 0.0001075800000000 ] - [ -0.0010217700000000, -0.0003303600000000, 0.0002842900000000 ] - [ 0.0003855200000000, -0.0000507000000000, -0.0001023100000000 ] - [ -0.0000041100000000, -0.0001875900000000, -0.0000903500000000 ] - [ 0.0001511600000000, 0.0004006200000000, -0.0005970000000000 ] - [ 0.0002557400000000, -0.0000752600000000, 0.0002403700000000 ] - [ 0.0002711100000000, 0.0001370500000000, 0.0003059600000000 ] - [ -0.0011287700000000, 0.0002384600000000, -0.0003496300000000 ] - [ 0.0000423100000000, -0.0003355400000000, -0.0004438100000000 ] - [ 0.0113344600000000, 0.0047255600000000, 0.0029741400000000 ] - [ -0.0000268400000000, -0.0000424900000000, -0.0000843900000000 ] - [ 0.0126810700000000, -0.0092959600000000, -0.0005232800000000 ] - [ -0.0002563200000000, -0.0001552700000000, 0.0000793200000000 ] - [ -0.0001545800000000, 0.0000033100000000, 0.0001498600000000 ] - [ -0.0013828000000000, 0.0002811900000000, 0.0031025800000000 ] - [ -0.0001579400000000, 0.0000729700000000, 0.0000587500000000 ] - [ -0.0004822000000000, -0.0009348800000000, -0.0003266900000000 ] - [ -0.0000230900000000, -0.0000195300000000, -0.0001093000000000 ] - [ -0.0002881800000000, 0.0001734600000000, 0.0000117600000000 ] - [ 0.0003978800000000, -0.0000534700000000, -0.0000176500000000 ] - [ 0.0002141800000000, -0.0000143300000000, 0.0003086200000000 ] - [ -0.0001159000000000, 0.0001049800000000, -0.0002276500000000 ] - [ -0.0002063700000000, -0.0004458800000000, -0.0006256900000000 ] - [ -0.0016409100000000, -0.0001322600000000, 0.0002982600000000 ] - [ -0.0001753500000000, -0.0004905100000000, -0.0008707700000000 ] - [ -0.0000652200000000, -0.0001106500000000, 0.0003407500000000 ] - [ 0.0000296400000000, 0.0009447200000000, 0.0073733700000000 ] - [ -0.0002570900000000, 0.0002482600000000, 0.0001780500000000 ] - [ 0.0000404700000000, -0.0001685200000000, 0.0001926800000000 ] - [ -0.0002478500000000, -0.0005138600000000, 0.0005461800000000 ] - [ 0.0003843700000000, -0.0000611000000000, 0.0001810400000000 ] - [ 0.0017945000000000, 0.0003394500000000, -0.0012673700000000 ] - [ -0.0002572300000000, 0.0002850700000000, -0.0001500200000000 ] - [ -0.0000623800000000, 0.0000803800000000, 0.0000507000000000 ] - [ 0.0010052100000000, 0.0001252500000000, 0.0003907600000000 ] - [ 0.0006065900000000, -0.0004698400000000, -0.0001186100000000 ]- atom: 44 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ -0.0003413400000000, 0.0008671400000000, -0.0011663100000000 ] - [ 0.0000740000000000, -0.0002088100000000, 0.0002018900000000 ] - [ 0.0001306800000000, 0.0000179600000000, 0.0001999100000000 ] - [ -0.0000682300000000, 0.0001360600000000, -0.0000813300000000 ] - [ -0.0001241300000000, 0.0003027400000000, 0.0008604100000000 ] - [ -0.0006059500000000, -0.0008265400000000, -0.0009489800000000 ] - [ -0.0017267200000000, -0.0008806400000000, 0.0008596300000000 ] - [ -0.0001193500000000, -0.0002927800000000, 0.0005500000000000 ] - [ 0.0005034800000000, -0.0002501400000000, -0.0001375300000000 ] - [ -0.0001897700000000, 0.0001171500000000, -0.0000928500000000 ] - [ 0.0000294000000000, 0.0001288800000000, 0.0004260300000000 ] - [ 0.0001292400000000, 0.0001926300000000, -0.0000177300000000 ] - [ 0.0006697400000000, 0.0000424100000000, 0.0000440800000000 ] - [ -0.0002596300000000, -0.0002034200000000, 0.0000850500000000 ] - [ 0.0002563200000000, -0.0005705400000000, -0.0004835600000000 ] - [ -0.0001521800000000, -0.0000749100000000, -0.0000767600000000 ] - [ 0.0001128400000000, -0.0000765500000000, -0.0000721000000000 ] - [ 0.0004810600000000, 0.0001946500000000, 0.0001772600000000 ] - [ 0.0015264200000000, -0.0001340100000000, -0.0000686300000000 ] - [ 0.0001824200000000, 0.0000690600000000, -0.0000917300000000 ] - [ -0.0102015000000000, 0.0102854700000000, 0.0065445600000000 ] - [ 0.0000930300000000, 0.0000377400000000, -0.0001109600000000 ] - [ -0.0004117900000000, 0.0000377500000000, 0.0003634700000000 ] - [ 0.0035000900000000, -0.0004831800000000, -0.0029276100000000 ] - [ 0.0000952100000000, 0.0002507100000000, -0.0004901500000000 ] - [ 0.0008211900000000, -0.0009010600000000, -0.0000588200000000 ] - [ -0.0029019200000000, -0.0001680500000000, 0.0014860900000000 ] - [ 0.0001622200000000, -0.0002372000000000, 0.0000178200000000 ] - [ 0.0012610500000000, -0.0003102700000000, 0.0006839300000000 ] - [ -0.0000039700000000, -0.0001398800000000, -0.0016179000000000 ] - [ -0.0002608200000000, -0.0001960200000000, 0.0007151100000000 ] - [ -0.0001087500000000, 0.0003208100000000, 0.0003139800000000 ] - [ -0.0036370800000000, 0.0012008300000000, 0.0003616600000000 ] - [ 0.0002461800000000, 0.0002621700000000, 0.0004213700000000 ] - [ -0.1024572900000000, 0.0060801700000000, -0.0421551200000000 ] - [ -0.0009430600000000, -0.0012368200000000, -0.0002352900000000 ] - [ -0.0006131500000000, 0.0003486100000000, 0.0005253300000000 ] - [ 0.0006371500000000, 0.0000987100000000, -0.0000843700000000 ] - [ 0.0001272600000000, -0.0001595500000000, 0.0002641000000000 ] - [ 0.0003795800000000, -0.0032397200000000, -0.0009896900000000 ] - [ -0.0000154200000000, 0.0001045100000000, 0.0000771100000000 ] - [ -0.0003292900000000, -0.0003339600000000, 0.0004354500000000 ] - [ 0.0001981500000000, 0.0001015700000000, 0.0000683700000000 ] - [ 0.1376918400000000, -0.0162182800000000, 0.0511600900000000 ] - [ -0.0007659700000000, 0.0001114400000000, 0.0000302500000000 ] - [ -0.0010946700000000, -0.0000476200000000, -0.0024045400000000 ] - [ -0.0000603700000000, -0.0001094700000000, -0.0001683600000000 ] - [ 0.0000753200000000, -0.0002075800000000, -0.0001903200000000 ] - [ -0.0000749900000000, 0.0001252200000000, -0.0000194700000000 ] - [ 0.0006310000000000, 0.0006931200000000, -0.0001333800000000 ] - [ 0.0001881000000000, 0.0000296300000000, 0.0000999500000000 ] - [ 0.0000895800000000, -0.0002494500000000, -0.0000970700000000 ] - [ -0.0003565300000000, -0.0001861900000000, 0.0004244800000000 ] - [ -0.0002170300000000, -0.0000616100000000, -0.0000784500000000 ] - [ 0.0001411500000000, 0.0001972700000000, -0.0004603100000000 ] - [ 0.0013397900000000, -0.0004440800000000, 0.0005154700000000 ] - [ -0.0001958200000000, 0.0000313200000000, 0.0000377000000000 ] - [ -0.0110353600000000, -0.0041762600000000, -0.0031063300000000 ] - [ -0.0003350800000000, -0.0000816100000000, -0.0001661600000000 ] - [ -0.0125914900000000, 0.0089211100000000, 0.0001036700000000 ] - [ -0.0001576500000000, -0.0001789300000000, 0.0000724500000000 ] - [ -0.0000271400000000, 0.0000424700000000, -0.0000220500000000 ] - [ 0.0014817900000000, 0.0000450700000000, -0.0026515500000000 ] - [ -0.0004164800000000, -0.0000511900000000, -0.0000565200000000 ] - [ 0.0006134000000000, 0.0011249200000000, 0.0007889600000000 ] - [ 0.0002036400000000, -0.0000258500000000, -0.0000190100000000 ] - [ 0.0001706200000000, 0.0001611200000000, -0.0004461100000000 ] - [ -0.0004365200000000, 0.0001911600000000, -0.0001429700000000 ] - [ -0.0004191000000000, -0.0002017800000000, -0.0004819700000000 ] - [ -0.0000277000000000, 0.0000852600000000, -0.0002279400000000 ] - [ 0.0000848700000000, 0.0001125800000000, 0.0001956700000000 ] - [ 0.0015303900000000, -0.0002965100000000, -0.0000991500000000 ] - [ -0.0000125500000000, 0.0004444500000000, 0.0009953600000000 ] - [ 0.0002086600000000, -0.0000789300000000, 0.0001146700000000 ] - [ -0.0000861700000000, -0.0006466700000000, -0.0078199100000000 ] - [ 0.0001715800000000, 0.0001888800000000, 0.0000096200000000 ] - [ -0.0006229300000000, 0.0001510500000000, -0.0001914600000000 ] - [ 0.0006174700000000, 0.0003969200000000, -0.0002969600000000 ] - [ -0.0007462600000000, 0.0001842600000000, -0.0004305200000000 ] - [ -0.0013808900000000, -0.0006727000000000, 0.0011118500000000 ] - [ 0.0008449700000000, -0.0002729600000000, 0.0001683200000000 ] - [ 0.0000498800000000, 0.0000874800000000, -0.0000333000000000 ] - [ -0.0009710200000000, 0.0000120300000000, -0.0002296900000000 ] - [ -0.0002477000000000, 0.0005972200000000, 0.0003697900000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001129200000000, 0.0006600000000000, 0.0001848200000000 ] - [ -0.0000159000000000, -0.0000732200000000, -0.0001620300000000 ] - [ 0.0000089300000000, 0.0000465300000000, 0.0000214800000000 ] - [ 0.0002533600000000, 0.0002329900000000, -0.0002765200000000 ] - [ -0.0004570300000000, -0.0000256900000000, -0.0002783500000000 ] - [ 0.0005625500000000, 0.0013927300000000, 0.0013231600000000 ] - [ 0.0010311200000000, 0.0013993400000000, -0.0004314900000000 ] - [ -0.0002453100000000, 0.0000018200000000, 0.0003028800000000 ] - [ -0.0001522400000000, -0.0000561400000000, -0.0001769300000000 ] - [ -0.0000475300000000, -0.0000338700000000, 0.0000657400000000 ] - [ -0.0000776700000000, -0.0000126200000000, 0.0000171300000000 ] - [ 0.0001229600000000, 0.0002289100000000, -0.0001736000000000 ] - [ -0.0001776800000000, -0.0001758300000000, 0.0002930500000000 ] - [ -0.0001038700000000, -0.0001923100000000, -0.0000557300000000 ] - [ 0.0004113700000000, -0.0009398200000000, 0.0000217800000000 ] - [ -0.0002764600000000, 0.0000281600000000, 0.0001575900000000 ] - [ 0.0003552100000000, -0.0002278600000000, -0.0004233200000000 ] - [ -0.0002194400000000, -0.0000699600000000, -0.0000425900000000 ] - [ 0.0001475900000000, 0.0001143700000000, 0.0000756400000000 ] - [ 0.0000398700000000, 0.0000470100000000, -0.0002274900000000 ] - [ -0.0068218500000000, 0.0209723700000000, 0.0152097800000000 ] - [ 0.0004448300000000, -0.0000259500000000, -0.0003756600000000 ] - [ -0.0004991300000000, -0.0001982400000000, -0.0003086300000000 ] - [ -0.0011444600000000, 0.0050710100000000, 0.0017566000000000 ] - [ 0.0001886900000000, 0.0002805400000000, -0.0005927400000000 ] - [ 0.0002543400000000, -0.0007161100000000, -0.0003882900000000 ] - [ -0.0009301600000000, 0.0020700200000000, 0.0002839500000000 ] - [ 0.0003422400000000, -0.0003624300000000, -0.0001259800000000 ] - [ -0.0000138500000000, 0.0001270400000000, 0.0006522100000000 ] - [ -0.0004429100000000, -0.0005121900000000, 0.0012707200000000 ] - [ -0.0002170100000000, -0.0001757300000000, 0.0001347800000000 ] - [ -0.0004466200000000, 0.0003859800000000, -0.0001643700000000 ] - [ -0.0006129000000000, -0.0017261000000000, 0.0007434900000000 ] - [ -0.0002378800000000, 0.0001482000000000, -0.0000430300000000 ] - [ -0.0118894600000000, 0.0212550700000000, -0.0037263900000000 ] - [ 0.0007543900000000, 0.0016609500000000, -0.0001754000000000 ] - [ 0.0000318600000000, -0.0002692800000000, -0.0002020900000000 ] - [ -0.0000268900000000, 0.0014517900000000, -0.0006022700000000 ] - [ 0.0000281800000000, -0.0001558000000000, 0.0003779900000000 ] - [ 0.0022943200000000, 0.0022225500000000, 0.0002257100000000 ] - [ 0.0001290300000000, 0.0002059500000000, 0.0003827800000000 ] - [ 0.0002298700000000, 0.0005255800000000, -0.0003808200000000 ] - [ 0.0001115100000000, 0.0001423300000000, 0.0001985900000000 ] - [ 0.0164226900000000, -0.0479994900000000, -0.0196826700000000 ] - [ 0.0000274200000000, -0.0004076500000000, 0.0000257200000000 ] - [ 0.0003136200000000, -0.0003056500000000, -0.0001035300000000 ] - [ 0.0000285600000000, -0.0000758600000000, 0.0000888900000000 ] - [ 0.0001566800000000, -0.0001653300000000, 0.0000350200000000 ] - [ -0.0001629200000000, 0.0002112600000000, 0.0001571800000000 ] - [ 0.0010661600000000, 0.0023252000000000, 0.0002709700000000 ] - [ 0.0002103100000000, 0.0002333800000000, 0.0002487600000000 ] - [ 0.0000259300000000, -0.0002352900000000, -0.0000146100000000 ] - [ 0.0000275300000000, 0.0001962000000000, -0.0003946800000000 ] - [ 0.0001909600000000, -0.0000491200000000, 0.0002128800000000 ] - [ 0.0002171500000000, 0.0001567000000000, 0.0000859500000000 ] - [ 0.0003397200000000, 0.0013609100000000, -0.0006242800000000 ] - [ -0.0000691000000000, -0.0000250100000000, 0.0000044800000000 ] - [ 0.0128973600000000, -0.0005996700000000, 0.0008707100000000 ] - [ -0.0001432400000000, -0.0000245400000000, -0.0000375200000000 ] - [ -0.0130171900000000, 0.0013267700000000, 0.0004765000000000 ] - [ -0.0002331300000000, -0.0001644200000000, 0.0001969000000000 ] - [ -0.0000651100000000, -0.0000247900000000, 0.0001671600000000 ] - [ 0.0014278600000000, -0.0049360000000000, 0.0022530200000000 ] - [ -0.0002170300000000, 0.0000662200000000, 0.0001174500000000 ] - [ -0.0008778200000000, -0.0013779500000000, 0.0005655000000000 ] - [ 0.0000822300000000, -0.0000414200000000, 0.0000076600000000 ] - [ 0.0000678500000000, 0.0003475500000000, 0.0000068000000000 ] - [ -0.0000897900000000, 0.0001605300000000, -0.0000797500000000 ] - [ -0.0000028300000000, -0.0000340400000000, 0.0001050900000000 ] - [ -0.0000712700000000, 0.0000909000000000, -0.0001467200000000 ] - [ -0.0002316900000000, -0.0004272300000000, -0.0000361100000000 ] - [ -0.0027173800000000, 0.0004315700000000, 0.0012763000000000 ] - [ -0.0005533400000000, -0.0006727000000000, -0.0001305500000000 ] - [ 0.0000836100000000, -0.0000952800000000, 0.0003159300000000 ] - [ 0.0003652500000000, -0.0026429000000000, -0.0010647200000000 ] - [ -0.0001288100000000, 0.0002368200000000, 0.0001595100000000 ] - [ -0.0003852300000000, -0.0005355900000000, -0.0005343800000000 ] - [ 0.0001623900000000, -0.0004568900000000, -0.0000957400000000 ] - [ -0.0002892300000000, 0.0000097200000000, -0.0003637100000000 ] - [ 0.0012104300000000, 0.0001173300000000, -0.0011722000000000 ] - [ 0.0011252200000000, -0.0010898900000000, 0.0019720000000000 ] - [ -0.0000316900000000, 0.0001088400000000, 0.0000969300000000 ] - [ 0.0001644600000000, -0.0000566000000000, 0.0000169600000000 ] - [ -0.0001254200000000, 0.0003413000000000, 0.0003807900000000 ]- atom: 44 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004982200000000, -0.0005292100000000, -0.0004768600000000 ] - [ 0.0000197400000000, -0.0000915200000000, 0.0000783300000000 ] - [ -0.0000113200000000, 0.0001161300000000, 0.0000679600000000 ] - [ 0.0001126300000000, -0.0000145700000000, 0.0000485200000000 ] - [ -0.0001591900000000, 0.0001937900000000, 0.0006013000000000 ] - [ -0.0001967200000000, -0.0015204800000000, -0.0014714400000000 ] - [ -0.0012466300000000, -0.0009044300000000, 0.0005117000000000 ] - [ -0.0001194000000000, -0.0002256500000000, -0.0000692100000000 ] - [ 0.0001817600000000, 0.0000484900000000, -0.0001877900000000 ] - [ -0.0003228900000000, 0.0002516600000000, 0.0001631300000000 ] - [ 0.0000523600000000, 0.0000127400000000, 0.0003493800000000 ] - [ 0.0001230100000000, 0.0001968500000000, 0.0000186300000000 ] - [ 0.0001510300000000, 0.0001780200000000, 0.0000702300000000 ] - [ -0.0001443200000000, -0.0002328400000000, 0.0002144600000000 ] - [ -0.0001649200000000, 0.0005124100000000, -0.0001815800000000 ] - [ -0.0003429800000000, -0.0001905900000000, 0.0001614900000000 ] - [ 0.0002645000000000, 0.0000664900000000, 0.0001050500000000 ] - [ 0.0002182900000000, -0.0000873900000000, 0.0001267100000000 ] - [ -0.0001322800000000, 0.0000445700000000, -0.0001683700000000 ] - [ -0.0000122300000000, -0.0000439000000000, -0.0001337800000000 ] - [ 0.0078724000000000, -0.0216384600000000, -0.0159351500000000 ] - [ 0.0004719900000000, 0.0002211500000000, 0.0003177800000000 ] - [ -0.0004222900000000, 0.0000068100000000, 0.0003784500000000 ] - [ 0.0002427800000000, -0.0048774000000000, -0.0017114600000000 ] - [ 0.0001944400000000, 0.0002106800000000, -0.0002131700000000 ] - [ -0.0001616900000000, 0.0002573900000000, 0.0000221800000000 ] - [ 0.0009871600000000, -0.0016203700000000, -0.0006327000000000 ] - [ 0.0003093600000000, -0.0003040300000000, 0.0001057900000000 ] - [ -0.0000675700000000, -0.0005893000000000, -0.0002864300000000 ] - [ -0.0002079600000000, -0.0001558000000000, -0.0012604100000000 ] - [ -0.0001664700000000, -0.0003155100000000, 0.0006754000000000 ] - [ -0.0001996700000000, 0.0002812300000000, 0.0001917100000000 ] - [ 0.0012946600000000, 0.0023811300000000, -0.0007748900000000 ] - [ 0.0001508900000000, 0.0003137000000000, 0.0004167800000000 ] - [ 0.0119108300000000, -0.0215535000000000, 0.0027048500000000 ] - [ -0.0011425100000000, -0.0011827100000000, 0.0009799600000000 ] - [ -0.0000330900000000, 0.0004342000000000, 0.0001907900000000 ] - [ -0.0002434400000000, -0.0017823400000000, 0.0006931900000000 ] - [ 0.0000847700000000, -0.0001780600000000, 0.0000697200000000 ] - [ -0.0023197100000000, -0.0023660600000000, -0.0002054100000000 ] - [ 0.0000109800000000, 0.0000836100000000, 0.0000181700000000 ] - [ 0.0000274500000000, -0.0001911900000000, 0.0002962600000000 ] - [ 0.0000927500000000, 0.0000647400000000, -0.0000311800000000 ] - [ -0.0161654100000000, 0.0481582800000000, 0.0205016700000000 ] - [ 0.0001100500000000, 0.0001196300000000, 0.0003834500000000 ] - [ -0.0003524900000000, 0.0001729100000000, -0.0000789200000000 ] - [ -0.0000273700000000, -0.0000865400000000, -0.0001064600000000 ] - [ 0.0001012700000000, -0.0001712000000000, -0.0001264200000000 ] - [ -0.0000960400000000, 0.0001257300000000, -0.0000696600000000 ] - [ -0.0014805700000000, -0.0019822800000000, -0.0001013800000000 ] - [ 0.0003575500000000, -0.0002533400000000, -0.0002349800000000 ] - [ 0.0000932300000000, -0.0002085300000000, -0.0001873200000000 ] - [ -0.0002320000000000, 0.0000096200000000, 0.0002315100000000 ] - [ -0.0001740000000000, -0.0000820900000000, -0.0000636200000000 ] - [ 0.0001881300000000, 0.0001894800000000, -0.0002551800000000 ] - [ -0.0001387900000000, -0.0015711200000000, 0.0008012200000000 ] - [ -0.0000723300000000, -0.0002649200000000, -0.0004103600000000 ] - [ -0.0127193500000000, 0.0010291800000000, -0.0010813600000000 ] - [ -0.0002008500000000, -0.0001224300000000, -0.0002200600000000 ] - [ 0.0129657200000000, -0.0015212900000000, -0.0009596100000000 ] - [ -0.0001732700000000, -0.0001800100000000, -0.0000392500000000 ] - [ -0.0000909400000000, 0.0000559700000000, -0.0000173800000000 ] - [ -0.0013731000000000, 0.0052435000000000, -0.0018770900000000 ] - [ -0.0003538900000000, -0.0000462900000000, -0.0001343800000000 ] - [ 0.0010067100000000, 0.0016003700000000, -0.0000837600000000 ] - [ 0.0000735100000000, 0.0000124900000000, -0.0001617800000000 ] - [ -0.0001785900000000, -0.0000116500000000, -0.0004564600000000 ] - [ 0.0000701500000000, -0.0000291300000000, -0.0000721800000000 ] - [ -0.0002079400000000, -0.0001752200000000, -0.0002811900000000 ] - [ -0.0000562300000000, 0.0001175000000000, -0.0003272700000000 ] - [ 0.0001199300000000, 0.0000954000000000, -0.0004074300000000 ] - [ 0.0026150100000000, -0.0008780200000000, -0.0010743700000000 ] - [ 0.0003979400000000, 0.0006453700000000, 0.0002871200000000 ] - [ 0.0000468200000000, -0.0001111700000000, 0.0001539800000000 ] - [ -0.0004384700000000, 0.0029604300000000, 0.0006461200000000 ] - [ 0.0000135600000000, 0.0002085500000000, 0.0000379700000000 ] - [ -0.0001902800000000, 0.0005182300000000, 0.0005239300000000 ] - [ 0.0001868700000000, 0.0003210200000000, 0.0003468500000000 ] - [ -0.0000574800000000, 0.0001375800000000, 0.0001081100000000 ] - [ -0.0008133800000000, -0.0004632900000000, 0.0010206800000000 ] - [ -0.0005544900000000, 0.0011109200000000, -0.0019800600000000 ] - [ 0.0000298900000000, 0.0000527700000000, -0.0000823200000000 ] - [ -0.0001503800000000, 0.0001880100000000, 0.0001343000000000 ] - [ 0.0004665800000000, -0.0001949200000000, -0.0001247300000000 ]- atom: 44 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0008192400000000, 0.0009750200000000, 0.0006383500000000 ] - [ -0.0001141800000000, -0.0001296400000000, -0.0003219900000000 ] - [ -0.0000036900000000, 0.0000309200000000, 0.0000723600000000 ] - [ 0.0002384800000000, 0.0002386700000000, -0.0005436600000000 ] - [ -0.0009397400000000, -0.0005007400000000, 0.0002150900000000 ] - [ 0.0005556800000000, 0.0007746700000000, 0.0018625500000000 ] - [ -0.0008353500000000, -0.0012370400000000, 0.0017129000000000 ] - [ -0.0008211200000000, 0.0005658200000000, 0.0001569100000000 ] - [ -0.0002719300000000, -0.0001523700000000, -0.0003663600000000 ] - [ 0.0000258400000000, -0.0000959200000000, -0.0000990600000000 ] - [ -0.0001020800000000, 0.0000528300000000, -0.0000925600000000 ] - [ 0.0001439300000000, 0.0002897500000000, -0.0003552500000000 ] - [ -0.0002269500000000, -0.0000587800000000, 0.0005646800000000 ] - [ 0.0000246300000000, -0.0002285400000000, -0.0002888700000000 ] - [ 0.0003324500000000, -0.0003922000000000, 0.0002216600000000 ] - [ -0.0001487000000000, 0.0000845900000000, -0.0000624600000000 ] - [ 0.0003247000000000, -0.0002042100000000, -0.0006659800000000 ] - [ -0.0002788700000000, -0.0000037000000000, -0.0002212900000000 ] - [ -0.0000379800000000, 0.0000993600000000, 0.0005170000000000 ] - [ 0.0000379500000000, 0.0000761400000000, -0.0001748500000000 ] - [ -0.0057420200000000, 0.0139303400000000, 0.0148619600000000 ] - [ 0.0006809600000000, 0.0000299900000000, -0.0007829400000000 ] - [ -0.0004590400000000, -0.0006459100000000, -0.0009428600000000 ] - [ 0.0001674600000000, 0.0014089900000000, 0.0016290800000000 ] - [ 0.0002865200000000, 0.0002593500000000, -0.0011739500000000 ] - [ 0.0007383000000000, -0.0009574600000000, -0.0002943300000000 ] - [ -0.0023539700000000, 0.0007151600000000, 0.0009921600000000 ] - [ 0.0002849100000000, -0.0003946600000000, -0.0003402400000000 ] - [ -0.0001824500000000, -0.0001090100000000, 0.0008434300000000 ] - [ -0.0003280400000000, -0.0005276400000000, 0.0007549900000000 ] - [ -0.0004241800000000, -0.0001140300000000, 0.0002015000000000 ] - [ -0.0012298000000000, 0.0005123000000000, -0.0003829000000000 ] - [ 0.0006295000000000, -0.0005561600000000, 0.0014133700000000 ] - [ -0.0004005200000000, -0.0000004700000000, -0.0003793700000000 ] - [ 0.0140796700000000, 0.0014020900000000, 0.0267936600000000 ] - [ 0.0013741200000000, -0.0004372800000000, -0.0005020300000000 ] - [ 0.0000427900000000, 0.0000247100000000, -0.0002050300000000 ] - [ 0.0000818600000000, 0.0005357100000000, -0.0006104900000000 ] - [ -0.0000277600000000, -0.0001395600000000, 0.0008410100000000 ] - [ 0.0007758300000000, 0.0008596600000000, -0.0009512100000000 ] - [ 0.0001947200000000, 0.0002842500000000, 0.0006458400000000 ] - [ 0.0001552900000000, 0.0003066500000000, -0.0002066800000000 ] - [ 0.0001594800000000, 0.0001763700000000, 0.0003317100000000 ] - [ -0.0232659700000000, -0.0227151100000000, -0.0557526400000000 ] - [ 0.0001583200000000, -0.0002336800000000, -0.0003829800000000 ] - [ 0.0003933300000000, -0.0002100600000000, -0.0004308800000000 ] - [ 0.0001691700000000, 0.0000349700000000, 0.0001401100000000 ] - [ 0.0002969400000000, -0.0002110700000000, 0.0001210200000000 ] - [ -0.0001724200000000, 0.0002685800000000, 0.0002550900000000 ] - [ 0.0014076000000000, 0.0027485800000000, 0.0003706100000000 ] - [ 0.0000619600000000, 0.0000399800000000, 0.0001664400000000 ] - [ -0.0001014500000000, -0.0002061500000000, 0.0001897100000000 ] - [ -0.0002414000000000, 0.0002129700000000, -0.0004604500000000 ] - [ 0.0003349800000000, -0.0000322800000000, 0.0004192600000000 ] - [ 0.0003961700000000, 0.0001791500000000, 0.0005121100000000 ] - [ -0.0001625500000000, 0.0007108000000000, -0.0012836300000000 ] - [ -0.0001873100000000, 0.0000135100000000, 0.0001399900000000 ] - [ 0.0014309900000000, -0.0010664800000000, -0.0040583700000000 ] - [ -0.0001678200000000, 0.0000540100000000, 0.0001420300000000 ] - [ -0.0026553200000000, 0.0020907200000000, -0.0040007600000000 ] - [ -0.0002548600000000, -0.0001494300000000, 0.0004164700000000 ] - [ 0.0000089300000000, -0.0000727400000000, 0.0002324200000000 ] - [ 0.0121012200000000, -0.0001249600000000, 0.0115718200000000 ] - [ -0.0001768600000000, 0.0001218000000000, 0.0003600100000000 ] - [ -0.0016453000000000, 0.0009906400000000, 0.0009541700000000 ] - [ 0.0000690600000000, -0.0000965200000000, 0.0002186600000000 ] - [ 0.0001415900000000, 0.0001773300000000, -0.0000043000000000 ] - [ -0.0003583400000000, 0.0002417500000000, -0.0002658400000000 ] - [ 0.0006322700000000, 0.0002162700000000, 0.0006627500000000 ] - [ -0.0001635500000000, 0.0000414000000000, 0.0000672000000000 ] - [ -0.0005147100000000, -0.0000555100000000, 0.0005722500000000 ] - [ -0.0026118300000000, 0.0007469400000000, 0.0012159000000000 ] - [ -0.0009837600000000, -0.0001211100000000, -0.0003734300000000 ] - [ 0.0000428700000000, -0.0000615300000000, 0.0004179100000000 ] - [ 0.0072172500000000, 0.0002992700000000, 0.0018682000000000 ] - [ -0.0001152000000000, -0.0000099300000000, 0.0003205700000000 ] - [ -0.0001910500000000, -0.0002870600000000, -0.0006104800000000 ] - [ 0.0004176000000000, -0.0002143700000000, 0.0004275500000000 ] - [ -0.0000932200000000, 0.0001054900000000, -0.0005467300000000 ] - [ 0.0004868200000000, -0.0000428200000000, -0.0006017300000000 ] - [ 0.0015316100000000, -0.0009365200000000, 0.0014796700000000 ] - [ -0.0000685600000000, 0.0000837700000000, 0.0002132200000000 ] - [ -0.0000960100000000, 0.0000422500000000, -0.0002662300000000 ] - [ -0.0002971400000000, 0.0006790800000000, 0.0002774800000000 ]- atom: 44 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ -0.0001972200000000, -0.0008456200000000, -0.0009244700000000 ] - [ 0.0001185600000000, -0.0000299900000000, 0.0002310200000000 ] - [ -0.0000010000000000, 0.0001313000000000, 0.0000171800000000 ] - [ 0.0001329100000000, -0.0000210700000000, 0.0003149300000000 ] - [ 0.0003151400000000, 0.0006611100000000, 0.0001084500000000 ] - [ -0.0001773800000000, -0.0009356800000000, -0.0020623400000000 ] - [ 0.0006095400000000, 0.0017336000000000, -0.0016030600000000 ] - [ 0.0004483000000000, -0.0007810600000000, 0.0000738900000000 ] - [ 0.0002985100000000, 0.0001567500000000, 0.0000045200000000 ] - [ -0.0003985900000000, 0.0003153300000000, 0.0003286600000000 ] - [ 0.0000759500000000, -0.0000576200000000, 0.0004520500000000 ] - [ 0.0001009800000000, 0.0001365500000000, 0.0001986200000000 ] - [ 0.0002027800000000, 0.0000621100000000, -0.0002031100000000 ] - [ -0.0002696200000000, -0.0001976500000000, 0.0004451300000000 ] - [ -0.0000885300000000, -0.0000334100000000, -0.0003811800000000 ] - [ -0.0004763400000000, -0.0002478800000000, 0.0003818700000000 ] - [ 0.0002986300000000, 0.0000417800000000, 0.0003476800000000 ] - [ 0.0002738200000000, -0.0001653800000000, 0.0003107700000000 ] - [ 0.0000348300000000, 0.0000652700000000, -0.0006059800000000 ] - [ -0.0000116000000000, -0.0000735200000000, -0.0001862300000000 ] - [ 0.0067566200000000, -0.0147261300000000, -0.0153433600000000 ] - [ 0.0002424900000000, 0.0001653900000000, 0.0007217900000000 ] - [ -0.0004650300000000, 0.0004505400000000, 0.0010029700000000 ] - [ -0.0010850500000000, -0.0012304300000000, -0.0015926600000000 ] - [ 0.0000987800000000, 0.0002311800000000, 0.0003664800000000 ] - [ -0.0006486300000000, 0.0005050900000000, -0.0000717000000000 ] - [ 0.0025062600000000, -0.0002417100000000, -0.0014363800000000 ] - [ 0.0003702000000000, -0.0002753700000000, 0.0003182200000000 ] - [ 0.0000954500000000, -0.0003520500000000, -0.0004799800000000 ] - [ -0.0003289600000000, -0.0001333000000000, -0.0007471800000000 ] - [ 0.0000393600000000, -0.0003766700000000, 0.0006067100000000 ] - [ 0.0005732800000000, 0.0001567200000000, 0.0004009400000000 ] - [ 0.0000285700000000, 0.0012253900000000, -0.0014500700000000 ] - [ 0.0003108700000000, 0.0004599200000000, 0.0007477000000000 ] - [ -0.0134446700000000, -0.0018940400000000, -0.0276340300000000 ] - [ -0.0017680200000000, 0.0009381900000000, 0.0013064500000000 ] - [ -0.0000398700000000, 0.0001369800000000, 0.0001932500000000 ] - [ -0.0003438400000000, -0.0008798100000000, 0.0007033400000000 ] - [ 0.0001394600000000, -0.0001945900000000, -0.0003923500000000 ] - [ -0.0007784600000000, -0.0010118300000000, 0.0009805600000000 ] - [ -0.0000531100000000, 0.0000067900000000, -0.0002416800000000 ] - [ 0.0001036400000000, 0.0000254500000000, 0.0001223200000000 ] - [ 0.0000424100000000, 0.0000311200000000, -0.0001637500000000 ] - [ 0.0230105200000000, 0.0232998600000000, 0.0558421200000000 ] - [ -0.0000197100000000, -0.0000550300000000, 0.0007915400000000 ] - [ -0.0004184000000000, 0.0000781500000000, 0.0003073900000000 ] - [ -0.0001655400000000, -0.0001966100000000, -0.0001547800000000 ] - [ -0.0000366800000000, -0.0001259400000000, -0.0002091100000000 ] - [ -0.0000889700000000, 0.0000704400000000, -0.0001653700000000 ] - [ -0.0018364200000000, -0.0024339600000000, -0.0002143700000000 ] - [ 0.0005057500000000, -0.0000631500000000, -0.0001529300000000 ] - [ 0.0002188200000000, -0.0002365800000000, -0.0003907400000000 ] - [ 0.0000426800000000, -0.0000094000000000, 0.0002984200000000 ] - [ -0.0003145400000000, -0.0000994300000000, -0.0002663800000000 ] - [ 0.0000125700000000, 0.0001649100000000, -0.0006678600000000 ] - [ 0.0003709500000000, -0.0009222100000000, 0.0014633300000000 ] - [ 0.0000456400000000, -0.0003058300000000, -0.0005469900000000 ] - [ -0.0013822400000000, 0.0015016600000000, 0.0038214200000000 ] - [ -0.0001752000000000, -0.0001989700000000, -0.0003979800000000 ] - [ 0.0024906700000000, -0.0022893800000000, 0.0035254600000000 ] - [ -0.0001532700000000, -0.0001943400000000, -0.0002573200000000 ] - [ -0.0001655200000000, 0.0001027800000000, -0.0000807400000000 ] - [ -0.0118206900000000, 0.0004545000000000, -0.0108983900000000 ] - [ -0.0003923800000000, -0.0001011700000000, -0.0003739500000000 ] - [ 0.0017905100000000, -0.0008070600000000, -0.0004898300000000 ] - [ 0.0000859600000000, 0.0000668600000000, -0.0003716200000000 ] - [ -0.0002542100000000, 0.0001570700000000, -0.0004427900000000 ] - [ 0.0003384600000000, -0.0001118400000000, 0.0001130300000000 ] - [ -0.0008321000000000, -0.0004224400000000, -0.0008281100000000 ] - [ 0.0000346900000000, 0.0001658200000000, -0.0005396700000000 ] - [ 0.0004063700000000, -0.0002819500000000, -0.0010278000000000 ] - [ 0.0025143500000000, -0.0011950600000000, -0.0010230100000000 ] - [ 0.0008362600000000, 0.0000923800000000, 0.0005350400000000 ] - [ 0.0000863500000000, -0.0001446100000000, 0.0000536500000000 ] - [ -0.0074249900000000, -0.0000124400000000, -0.0021955000000000 ] - [ -0.0000017100000000, 0.0004522200000000, -0.0001211400000000 ] - [ -0.0003797700000000, 0.0002666300000000, 0.0005993000000000 ] - [ -0.0000777100000000, 0.0000692900000000, -0.0001720400000000 ] - [ -0.0002499900000000, 0.0000430300000000, 0.0002900800000000 ] - [ -0.0000851000000000, -0.0003064700000000, 0.0004510000000000 ] - [ -0.0009769700000000, 0.0009654900000000, -0.0014647500000000 ] - [ 0.0000645000000000, 0.0000779200000000, -0.0001972500000000 ] - [ 0.0001144100000000, 0.0000910100000000, 0.0004184400000000 ] - [ 0.0006412000000000, -0.0005378800000000, -0.0000258000000000 ]- atom: 46 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0003320300000000, 0.0001763400000000, -0.0004791700000000 ] - [ 0.0020321900000000, 0.0015397100000000, -0.0010035100000000 ] - [ 0.0001350700000000, 0.0000717900000000, -0.0001368100000000 ] - [ -0.0008199300000000, 0.0002213300000000, 0.0010090800000000 ] - [ -0.0004091900000000, 0.0000414600000000, -0.0001463100000000 ] - [ 0.0001846700000000, -0.0001951300000000, -0.0004574400000000 ] - [ -0.0006248600000000, 0.0000017000000000, -0.0008435900000000 ] - [ -0.0002886300000000, -0.0000993700000000, -0.0002123000000000 ] - [ 0.0016825000000000, 0.0006884300000000, 0.0007884300000000 ] - [ -0.0008325500000000, 0.0001987200000000, 0.0004230400000000 ] - [ 0.0010330600000000, -0.0016210100000000, -0.0016487600000000 ] - [ -0.0002763500000000, 0.0000947000000000, -0.0003016500000000 ] - [ 0.0002012900000000, 0.0000399500000000, 0.0001329800000000 ] - [ -0.0002530900000000, -0.0002302200000000, 0.0000625800000000 ] - [ -0.0001980900000000, -0.0000840600000000, -0.0002283300000000 ] - [ -0.0024715200000000, 0.0000865500000000, 0.0002124300000000 ] - [ 0.0000472700000000, 0.0001915300000000, 0.0007053900000000 ] - [ 0.0013600900000000, 0.0001621400000000, 0.0004995100000000 ] - [ 0.0002788300000000, 0.0000414900000000, -0.0001068500000000 ] - [ 0.0002154100000000, -0.0000153900000000, -0.0003448600000000 ] - [ -0.0007308600000000, 0.0011087700000000, -0.0041496800000000 ] - [ 0.0002535000000000, 0.0001075400000000, -0.0000239400000000 ] - [ -0.0019229600000000, 0.0006657100000000, -0.0010093200000000 ] - [ -0.0021578100000000, -0.0005922900000000, 0.0000030600000000 ] - [ -0.0004655000000000, 0.0004277900000000, 0.0009691300000000 ] - [ 0.0001507000000000, -0.0003671300000000, -0.0003090000000000 ] - [ 0.1213498400000000, 0.0102187400000000, 0.0515289900000000 ] - [ 0.0004650400000000, -0.0000554300000000, -0.0000377800000000 ] - [ 0.0000346400000000, -0.0000715400000000, 0.0002061600000000 ] - [ -0.0014386900000000, 0.0006314000000000, -0.0000222600000000 ] - [ -0.0005317700000000, -0.0001089800000000, -0.0002207800000000 ] - [ 0.0003306600000000, 0.0001420400000000, -0.0018137400000000 ] - [ 0.0005477500000000, 0.0004034500000000, -0.0006277700000000 ] - [ 0.0019991300000000, -0.0005740400000000, -0.0000829900000000 ] - [ -0.0008508200000000, -0.0005619400000000, -0.0011507600000000 ] - [ -0.0022810300000000, -0.0001928700000000, 0.0008172200000000 ] - [ 0.0011378600000000, -0.0006158500000000, -0.0005095000000000 ] - [ -0.0005829700000000, -0.0005506100000000, 0.0002695300000000 ] - [ 0.0006879500000000, -0.0002295400000000, -0.0007330400000000 ] - [ -0.0005200800000000, -0.0001843100000000, 0.0002084100000000 ] - [ -0.0000980100000000, 0.0003381500000000, 0.0007087700000000 ] - [ 0.0004324300000000, 0.0002060400000000, -0.0002551500000000 ] - [ 0.0000363000000000, 0.0000013400000000, -0.0001267400000000 ] - [ 0.0011210600000000, 0.0003486500000000, 0.0005586700000000 ] - [ 0.0000955800000000, -0.0001859100000000, 0.0002344800000000 ] - [ -0.1469761700000000, -0.0159913100000000, -0.0653799200000000 ] - [ -0.0001659100000000, -0.0003192300000000, 0.0003843000000000 ] - [ -0.0000160100000000, 0.0000574800000000, 0.0004502900000000 ] - [ -0.0003340500000000, -0.0000013800000000, -0.0001300200000000 ] - [ -0.0006548300000000, 0.0001294500000000, 0.0006148200000000 ] - [ 0.0002668200000000, -0.0000272900000000, 0.0001691200000000 ] - [ 0.0006559700000000, -0.0003497700000000, -0.0004823700000000 ] - [ 0.0005982300000000, 0.0000878900000000, -0.0000757400000000 ] - [ -0.0007728100000000, 0.0000149200000000, -0.0000799500000000 ] - [ 0.0004029900000000, -0.0004468000000000, 0.0018168300000000 ] - [ 0.0000544200000000, -0.0003833300000000, 0.0003931100000000 ] - [ -0.0001199900000000, -0.0001284500000000, -0.0000742900000000 ] - [ 0.0005177600000000, 0.0002860700000000, 0.0000195000000000 ] - [ -0.0003956500000000, 0.0013985200000000, 0.0002971400000000 ] - [ 0.0005498800000000, 0.0000825500000000, 0.0000439100000000 ] - [ -0.0002082500000000, -0.0002500700000000, 0.0000520900000000 ] - [ 0.0001719600000000, -0.0001669100000000, 0.0004576800000000 ] - [ 0.0002823600000000, 0.0002179700000000, 0.0010646300000000 ] - [ -0.0001476800000000, -0.0001046600000000, 0.0005967200000000 ] - [ 0.0011892800000000, 0.0001893400000000, 0.0003563800000000 ] - [ 0.0004793000000000, 0.0000658200000000, -0.0003489100000000 ] - [ 0.0000232800000000, 0.0001519300000000, 0.0002213600000000 ] - [ -0.0000979200000000, 0.0000913200000000, 0.0000175900000000 ] - [ 0.0005879200000000, -0.0001379400000000, 0.0009842500000000 ] - [ 0.0005431500000000, 0.0001938900000000, -0.0005337100000000 ] - [ 0.0008108800000000, -0.0000068600000000, -0.0007039000000000 ] - [ 0.0016596000000000, -0.0006819700000000, 0.0004511800000000 ] - [ 0.0009218100000000, 0.0001438600000000, 0.0001811400000000 ] - [ 0.0003042000000000, -0.0002337900000000, 0.0003931500000000 ] - [ -0.0003534200000000, -0.0003348300000000, 0.0042943800000000 ] - [ 0.0001188000000000, 0.0001632500000000, 0.0002083000000000 ] - [ -0.0001841500000000, -0.0000406100000000, 0.0001273000000000 ] - [ 0.0118495400000000, 0.0096221000000000, 0.0049061700000000 ] - [ -0.0001867200000000, 0.0000297500000000, -0.0000327000000000 ] - [ 0.0007318100000000, -0.0003720300000000, -0.0007031500000000 ] - [ 0.0097714800000000, -0.0048308100000000, 0.0071636100000000 ] - [ -0.0003318600000000, 0.0000479500000000, 0.0000463200000000 ] - [ -0.0000012400000000, 0.0000406600000000, 0.0002071600000000 ] - [ 0.0000651000000000, 0.0001734500000000, 0.0002703700000000 ]- atom: 46 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0002935100000000, -0.0000149300000000, 0.0001575100000000 ] - [ -0.0020458300000000, -0.0016867800000000, 0.0009065700000000 ] - [ -0.0001378300000000, 0.0000906800000000, 0.0002219100000000 ] - [ 0.0011940600000000, -0.0000022600000000, -0.0012334600000000 ] - [ -0.0002157800000000, 0.0001196900000000, 0.0004651900000000 ] - [ 0.0001860300000000, -0.0000229100000000, 0.0002270400000000 ] - [ 0.0003786300000000, 0.0004269600000000, 0.0009953100000000 ] - [ -0.0000815900000000, -0.0001181800000000, 0.0004407200000000 ] - [ -0.0016596700000000, -0.0006963400000000, -0.0011495300000000 ] - [ 0.0004611000000000, 0.0000189800000000, -0.0001929200000000 ] - [ -0.0010849700000000, 0.0016243000000000, 0.0020226300000000 ] - [ 0.0005215600000000, 0.0003329900000000, 0.0001471200000000 ] - [ -0.0002277100000000, -0.0000377400000000, 0.0002285400000000 ] - [ 0.0000091300000000, -0.0001958700000000, 0.0000926500000000 ] - [ 0.0004427400000000, -0.0003434100000000, 0.0000716400000000 ] - [ 0.0018534100000000, -0.0002497800000000, 0.0001105800000000 ] - [ 0.0005790600000000, -0.0003536500000000, -0.0010189300000000 ] - [ -0.0013572300000000, -0.0003197400000000, -0.0004138100000000 ] - [ -0.0002769400000000, 0.0001213800000000, 0.0000180800000000 ] - [ -0.0001891400000000, 0.0000179300000000, -0.0000194600000000 ] - [ 0.0016583700000000, -0.0013131800000000, 0.0040629700000000 ] - [ 0.0006767200000000, 0.0000806200000000, -0.0000358000000000 ] - [ 0.0009946100000000, -0.0008655200000000, 0.0010736700000000 ] - [ 0.0012354600000000, 0.0007870400000000, 0.0000505000000000 ] - [ 0.0008562600000000, 0.0000659200000000, -0.0017777600000000 ] - [ -0.0000610900000000, -0.0000842000000000, -0.0000570300000000 ] - [ -0.1158886800000000, -0.0091919400000000, -0.0484471400000000 ] - [ 0.0002001700000000, -0.0006246600000000, 0.0000108400000000 ] - [ -0.0001258100000000, -0.0003819900000000, 0.0001535700000000 ] - [ 0.0007838500000000, -0.0013056700000000, 0.0000444700000000 ] - [ 0.0001434200000000, -0.0003872500000000, 0.0010361700000000 ] - [ -0.0010003100000000, 0.0005309300000000, 0.0018425100000000 ] - [ 0.0001072300000000, 0.0002610600000000, 0.0005975100000000 ] - [ -0.0021175500000000, 0.0010289200000000, 0.0004458300000000 ] - [ 0.0012453600000000, 0.0000661900000000, 0.0003308900000000 ] - [ 0.0018898700000000, 0.0006833600000000, -0.0000044300000000 ] - [ -0.0011381100000000, 0.0007793200000000, 0.0004941500000000 ] - [ 0.0003194400000000, 0.0002090700000000, -0.0001774200000000 ] - [ -0.0005802900000000, -0.0001061400000000, 0.0011933200000000 ] - [ 0.0005153600000000, 0.0000278900000000, -0.0001898700000000 ] - [ 0.0002497800000000, -0.0000427900000000, -0.0003043600000000 ] - [ -0.0001676300000000, 0.0001356500000000, 0.0001650900000000 ] - [ 0.0001615700000000, 0.0002068700000000, 0.0002954200000000 ] - [ -0.0009825000000000, -0.0003173000000000, -0.0007155600000000 ] - [ 0.0000460400000000, -0.0001060700000000, 0.0001765200000000 ] - [ 0.1412996000000000, 0.0151857700000000, 0.0615947200000000 ] - [ 0.0001741400000000, 0.0001606400000000, -0.0004001300000000 ] - [ 0.0002829000000000, -0.0004024500000000, -0.0005400400000000 ] - [ 0.0000617800000000, 0.0003520300000000, 0.0002268300000000 ] - [ 0.0002463200000000, 0.0002192800000000, -0.0004488600000000 ] - [ 0.0002991100000000, 0.0000042800000000, -0.0001565300000000 ] - [ -0.0005315900000000, -0.0000991500000000, 0.0002797100000000 ] - [ -0.0007996500000000, 0.0001169200000000, -0.0000900800000000 ] - [ 0.0008059600000000, -0.0001436600000000, 0.0002356400000000 ] - [ 0.0000175100000000, 0.0007952400000000, -0.0019863500000000 ] - [ 0.0001499300000000, 0.0001796600000000, -0.0002231800000000 ] - [ -0.0000224400000000, -0.0001643400000000, -0.0003318500000000 ] - [ -0.0003940100000000, 0.0001637200000000, -0.0002174400000000 ] - [ 0.0000634400000000, -0.0015498500000000, -0.0005539000000000 ] - [ -0.0006765600000000, -0.0002948100000000, -0.0005158400000000 ] - [ -0.0002031100000000, -0.0000926000000000, 0.0001126700000000 ] - [ -0.0003184600000000, 0.0001965200000000, -0.0003041000000000 ] - [ -0.0001749700000000, 0.0001173700000000, -0.0006008600000000 ] - [ -0.0004134400000000, 0.0001281100000000, -0.0006133000000000 ] - [ -0.0010692600000000, 0.0000243100000000, 0.0001166000000000 ] - [ -0.0003355000000000, -0.0000938100000000, 0.0001898400000000 ] - [ -0.0001324200000000, 0.0001843000000000, -0.0006823400000000 ] - [ 0.0000785200000000, 0.0000360200000000, -0.0001703200000000 ] - [ -0.0007916000000000, -0.0000687700000000, -0.0011610100000000 ] - [ -0.0006703100000000, 0.0000199300000000, 0.0000577300000000 ] - [ -0.0009199400000000, -0.0003291500000000, 0.0002414000000000 ] - [ -0.0017776000000000, 0.0002287500000000, -0.0002451400000000 ] - [ -0.0010689200000000, -0.0001713600000000, -0.0000230300000000 ] - [ -0.0001768800000000, 0.0000229600000000, 0.0000798200000000 ] - [ 0.0001785300000000, 0.0006370300000000, -0.0046663700000000 ] - [ -0.0002419800000000, 0.0002860800000000, -0.0000088100000000 ] - [ -0.0003822500000000, 0.0000178400000000, -0.0001345300000000 ] - [ -0.0113330500000000, -0.0095853000000000, -0.0045818700000000 ] - [ -0.0001542900000000, 0.0001137600000000, -0.0002191000000000 ] - [ -0.0003249200000000, 0.0000277400000000, 0.0005463500000000 ] - [ -0.0090305000000000, 0.0047588000000000, -0.0070524400000000 ] - [ 0.0003234000000000, 0.0001140800000000, -0.0000272000000000 ] - [ 0.0000226400000000, 0.0000880100000000, -0.0000512900000000 ] - [ 0.0002757800000000, -0.0000313600000000, -0.0000168300000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003082600000000, 0.0000710800000000, -0.0001217500000000 ] - [ 0.0015083800000000, 0.0021308900000000, -0.0013537400000000 ] - [ 0.0000119100000000, 0.0000411700000000, 0.0000297800000000 ] - [ -0.0001102100000000, 0.0009587600000000, 0.0001008200000000 ] - [ -0.0003026200000000, 0.0001000500000000, 0.0001713300000000 ] - [ 0.0001719100000000, -0.0000989700000000, -0.0001206400000000 ] - [ -0.0003190100000000, 0.0001412700000000, -0.0007203400000000 ] - [ -0.0001999400000000, -0.0001291600000000, 0.0001208000000000 ] - [ 0.0007030600000000, 0.0018194800000000, 0.0006497800000000 ] - [ -0.0002138800000000, -0.0000367900000000, 0.0000410200000000 ] - [ -0.0010857000000000, 0.0037367500000000, 0.0046693300000000 ] - [ 0.0000639400000000, 0.0001916300000000, -0.0000935300000000 ] - [ -0.0000117900000000, -0.0000560900000000, 0.0002178000000000 ] - [ -0.0001214500000000, -0.0001815500000000, 0.0001170800000000 ] - [ 0.0001551400000000, -0.0002640100000000, -0.0000378300000000 ] - [ -0.0003915200000000, 0.0000352400000000, 0.0001853800000000 ] - [ 0.0003906000000000, -0.0007662500000000, -0.0002673300000000 ] - [ 0.0008673500000000, 0.0052223700000000, -0.0039653800000000 ] - [ 0.0000089900000000, 0.0001144700000000, -0.0000669300000000 ] - [ 0.0000287800000000, 0.0000455500000000, -0.0001638400000000 ] - [ 0.0002707400000000, -0.0000792600000000, 0.0026690800000000 ] - [ 0.0005571800000000, -0.0001287100000000, 0.0001029400000000 ] - [ -0.0005948100000000, 0.0000290300000000, 0.0002026300000000 ] - [ -0.0003048900000000, 0.0003454200000000, 0.0001305300000000 ] - [ 0.0001086800000000, 0.0003028600000000, 0.0002417300000000 ] - [ 0.0000483300000000, -0.0001921700000000, -0.0000673400000000 ] - [ 0.0088604300000000, 0.0229368400000000, 0.0045742600000000 ] - [ 0.0004276600000000, -0.0002851500000000, -0.0000947400000000 ] - [ -0.0000204900000000, -0.0002645500000000, 0.0002790300000000 ] - [ -0.0002219300000000, -0.0004863400000000, -0.0000808900000000 ] - [ -0.0002088700000000, -0.0002638100000000, 0.0004609200000000 ] - [ -0.0002086200000000, 0.0007267200000000, -0.0000181500000000 ] - [ 0.0001648700000000, -0.0001107900000000, 0.0002534000000000 ] - [ 0.0001241000000000, -0.0002583200000000, 0.0002905600000000 ] - [ 0.0002230200000000, -0.0000722500000000, -0.0003816700000000 ] - [ 0.0002428200000000, 0.0005420000000000, 0.0005331200000000 ] - [ -0.0002424200000000, 0.0000161300000000, 0.0001424100000000 ] - [ 0.0000427600000000, 0.0001429800000000, 0.0001322100000000 ] - [ 0.0002732800000000, -0.0001059000000000, -0.0002841900000000 ] - [ -0.0000731700000000, 0.0000126000000000, -0.0001284200000000 ] - [ 0.0000624400000000, 0.0003917300000000, 0.0002075000000000 ] - [ -0.0000949500000000, 0.0003555000000000, 0.0000761500000000 ] - [ 0.0000591800000000, 0.0000842300000000, 0.0000706100000000 ] - [ 0.0000460500000000, -0.0002251300000000, -0.0002295000000000 ] - [ 0.0000799000000000, -0.0001398900000000, 0.0001250100000000 ] - [ -0.0154499100000000, -0.0367495900000000, -0.0055958800000000 ] - [ -0.0001440300000000, -0.0002437500000000, -0.0000877800000000 ] - [ 0.0002475500000000, -0.0004010700000000, 0.0000512800000000 ] - [ -0.0002945900000000, 0.0000017700000000, 0.0001596500000000 ] - [ -0.0002827800000000, 0.0005894300000000, 0.0000122200000000 ] - [ 0.0002948100000000, 0.0000095100000000, -0.0000377100000000 ] - [ 0.0001898000000000, -0.0002991200000000, -0.0002416300000000 ] - [ -0.0001010000000000, 0.0001221200000000, -0.0000623800000000 ] - [ -0.0000694900000000, 0.0007100300000000, 0.0000434000000000 ] - [ -0.0000674500000000, 0.0000149400000000, -0.0000012600000000 ] - [ 0.0000770900000000, 0.0001545200000000, -0.0000115200000000 ] - [ -0.0000586300000000, -0.0001517500000000, -0.0002993100000000 ] - [ 0.0001124800000000, 0.0001244700000000, -0.0000803000000000 ] - [ 0.0000885500000000, 0.0002585000000000, 0.0000659900000000 ] - [ -0.0001340900000000, -0.0001877600000000, -0.0002823500000000 ] - [ -0.0002180600000000, -0.0001642100000000, 0.0000794100000000 ] - [ -0.0000703500000000, 0.0000319600000000, 0.0000415100000000 ] - [ 0.0000392500000000, 0.0001367000000000, 0.0001901700000000 ] - [ -0.0003434900000000, 0.0000866000000000, -0.0001762100000000 ] - [ -0.0002689000000000, -0.0003488900000000, -0.0001580000000000 ] - [ 0.0001962200000000, 0.0000801100000000, -0.0002314000000000 ] - [ -0.0000436900000000, 0.0001765300000000, -0.0002653000000000 ] - [ -0.0000369700000000, 0.0000677100000000, -0.0001153700000000 ] - [ -0.0000181400000000, -0.0002245300000000, 0.0000176000000000 ] - [ 0.0000408400000000, 0.0002475200000000, -0.0004512900000000 ] - [ -0.0002532600000000, -0.0002452600000000, -0.0000540500000000 ] - [ -0.0005605300000000, 0.0000486900000000, -0.0003002800000000 ] - [ -0.0000220100000000, -0.0001374900000000, 0.0000638800000000 ] - [ 0.0000804600000000, -0.0000879300000000, 0.0002004100000000 ] - [ 0.0006191800000000, -0.0041367500000000, 0.0000956600000000 ] - [ -0.0000371100000000, 0.0002430800000000, 0.0000664800000000 ] - [ -0.0002865600000000, -0.0000332500000000, -0.0000560900000000 ] - [ 0.0143219700000000, 0.0036285800000000, 0.0032504000000000 ] - [ -0.0001730400000000, 0.0000905200000000, -0.0001502900000000 ] - [ 0.0001839200000000, -0.0001520100000000, -0.0000284400000000 ] - [ -0.0085877200000000, 0.0001006200000000, -0.0045482300000000 ] - [ -0.0002181300000000, 0.0001816600000000, 0.0001466200000000 ] - [ -0.0000145600000000, 0.0000632400000000, 0.0000493000000000 ] - [ 0.0001788700000000, 0.0000448600000000, 0.0001021200000000 ]- atom: 46 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003145400000000, 0.0000908000000000, -0.0001963000000000 ] - [ -0.0014792400000000, -0.0022374600000000, 0.0011844700000000 ] - [ -0.0000169400000000, 0.0001210900000000, 0.0000595300000000 ] - [ 0.0004857400000000, -0.0007395800000000, -0.0003340700000000 ] - [ -0.0003193700000000, 0.0000631600000000, 0.0001502200000000 ] - [ 0.0001981000000000, -0.0001177400000000, -0.0001069000000000 ] - [ 0.0000781700000000, 0.0002888500000000, 0.0008771300000000 ] - [ -0.0001693200000000, -0.0000885000000000, 0.0001104100000000 ] - [ -0.0006847600000000, -0.0017260500000000, -0.0009373400000000 ] - [ -0.0001549500000000, 0.0002538000000000, 0.0001884200000000 ] - [ 0.0010687400000000, -0.0037961800000000, -0.0044315900000000 ] - [ 0.0001826200000000, 0.0002377300000000, -0.0000613000000000 ] - [ -0.0000155100000000, 0.0000581400000000, 0.0001441100000000 ] - [ -0.0001228100000000, -0.0002453200000000, 0.0000386400000000 ] - [ 0.0000909900000000, -0.0001641400000000, -0.0001171800000000 ] - [ -0.0002151200000000, -0.0002059100000000, 0.0001311800000000 ] - [ 0.0002333600000000, 0.0006008700000000, -0.0000559100000000 ] - [ -0.0009281700000000, -0.0055529700000000, 0.0042060500000000 ] - [ -0.0000063900000000, 0.0000483100000000, -0.0000207700000000 ] - [ -0.0000033300000000, -0.0000431200000000, -0.0001971500000000 ] - [ 0.0006744200000000, -0.0001378000000000, -0.0027191900000000 ] - [ 0.0003679600000000, 0.0003215900000000, -0.0001623400000000 ] - [ -0.0003249300000000, -0.0002340100000000, -0.0001430800000000 ] - [ -0.0006117900000000, -0.0001491300000000, -0.0000734600000000 ] - [ 0.0002808200000000, 0.0001875400000000, -0.0010581100000000 ] - [ 0.0000412800000000, -0.0002577100000000, -0.0002943300000000 ] - [ -0.0092248200000000, -0.0226166800000000, -0.0051394000000000 ] - [ 0.0002267100000000, -0.0003870600000000, 0.0000730500000000 ] - [ -0.0000691000000000, -0.0001904800000000, 0.0000820800000000 ] - [ -0.0004280000000000, -0.0001795100000000, 0.0000994200000000 ] - [ -0.0001762100000000, -0.0002302400000000, 0.0003562800000000 ] - [ -0.0004517200000000, -0.0000511600000000, 0.0000528500000000 ] - [ 0.0004869700000000, 0.0007753300000000, -0.0002760200000000 ] - [ -0.0002042800000000, 0.0007063700000000, 0.0000715800000000 ] - [ 0.0001751500000000, -0.0004190400000000, -0.0004292400000000 ] - [ -0.0006203100000000, -0.0000442100000000, 0.0002741800000000 ] - [ 0.0002413000000000, 0.0001473100000000, -0.0001554300000000 ] - [ -0.0003012500000000, -0.0004795800000000, -0.0000424500000000 ] - [ -0.0001665200000000, -0.0002283000000000, 0.0007462100000000 ] - [ 0.0000730100000000, -0.0001703000000000, 0.0001451000000000 ] - [ 0.0000790800000000, -0.0000992000000000, 0.0002008000000000 ] - [ 0.0003533800000000, -0.0000207400000000, -0.0001626300000000 ] - [ 0.0001427300000000, 0.0001238700000000, 0.0000986600000000 ] - [ 0.0000910000000000, 0.0002534800000000, 0.0000730200000000 ] - [ 0.0000605600000000, -0.0001513200000000, 0.0002855300000000 ] - [ 0.0157698100000000, 0.0368040600000000, 0.0056824700000000 ] - [ 0.0001494600000000, 0.0000846300000000, 0.0000681900000000 ] - [ 0.0000139800000000, 0.0000615600000000, -0.0001436800000000 ] - [ 0.0000328200000000, 0.0003405000000000, -0.0000681600000000 ] - [ -0.0001220500000000, -0.0002426700000000, 0.0001474500000000 ] - [ 0.0002720100000000, -0.0000333200000000, 0.0000480600000000 ] - [ -0.0000710900000000, -0.0001457200000000, 0.0000420700000000 ] - [ -0.0001023900000000, 0.0000824200000000, -0.0001026400000000 ] - [ 0.0000922600000000, -0.0008408400000000, 0.0001107600000000 ] - [ 0.0004800200000000, 0.0003302000000000, -0.0001727400000000 ] - [ 0.0001275100000000, -0.0003576600000000, 0.0001791800000000 ] - [ -0.0000829100000000, -0.0001412400000000, -0.0001112500000000 ] - [ 0.0000052700000000, 0.0003218900000000, -0.0001192000000000 ] - [ -0.0004296800000000, -0.0003882500000000, -0.0003152700000000 ] - [ 0.0000018900000000, -0.0000213700000000, -0.0001907800000000 ] - [ -0.0001905400000000, -0.0001788900000000, 0.0000804500000000 ] - [ -0.0000825400000000, -0.0000010700000000, 0.0001089200000000 ] - [ 0.0000679200000000, 0.0001978800000000, 0.0002598000000000 ] - [ -0.0002222200000000, -0.0000640400000000, 0.0001678800000000 ] - [ 0.0003913700000000, 0.0005572600000000, 0.0006340700000000 ] - [ -0.0000475300000000, -0.0001088500000000, 0.0000770200000000 ] - [ -0.0000669500000000, 0.0001589500000000, -0.0001943800000000 ] - [ 0.0000163000000000, 0.0000607000000000, -0.0000396600000000 ] - [ -0.0001884300000000, 0.0000176800000000, -0.0001928100000000 ] - [ -0.0001698400000000, -0.0000372800000000, -0.0000212100000000 ] - [ 0.0001388200000000, -0.0000913700000000, -0.0004000100000000 ] - [ 0.0004292700000000, -0.0004943300000000, 0.0005012700000000 ] - [ -0.0001340500000000, 0.0001077800000000, 0.0000920000000000 ] - [ 0.0000475800000000, -0.0001192700000000, 0.0002707000000000 ] - [ -0.0008022200000000, 0.0044353400000000, -0.0005546500000000 ] - [ -0.0000833000000000, 0.0002037000000000, 0.0001318700000000 ] - [ -0.0002814800000000, 0.0000102300000000, 0.0000461900000000 ] - [ -0.0138688800000000, -0.0037540400000000, -0.0030015300000000 ] - [ -0.0001704600000000, 0.0000523100000000, -0.0001032100000000 ] - [ 0.0002219800000000, -0.0001934700000000, -0.0001278500000000 ] - [ 0.0091893000000000, -0.0000702400000000, 0.0045531000000000 ] - [ 0.0002163100000000, -0.0000194200000000, -0.0001306200000000 ] - [ 0.0000355700000000, 0.0000670000000000, 0.0001045200000000 ] - [ 0.0001653600000000, 0.0000944800000000, 0.0001489800000000 ]- atom: 46 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0003722700000000, 0.0002518800000000, -0.0005672800000000 ] - [ -0.0010859700000000, -0.0013957300000000, 0.0016024400000000 ] - [ -0.0000185600000000, 0.0000664900000000, -0.0002871700000000 ] - [ 0.0006484300000000, 0.0000133400000000, 0.0001886300000000 ] - [ -0.0003923900000000, -0.0000114700000000, -0.0001967500000000 ] - [ 0.0002291700000000, -0.0002776200000000, -0.0004600600000000 ] - [ -0.0004806200000000, -0.0002134800000000, 0.0004242800000000 ] - [ -0.0002632800000000, -0.0000209800000000, -0.0002266000000000 ] - [ 0.0002054600000000, 0.0012485000000000, 0.0018270400000000 ] - [ -0.0003146900000000, 0.0001603600000000, 0.0005083200000000 ] - [ -0.0010679500000000, 0.0041911600000000, 0.0051129300000000 ] - [ -0.0000554500000000, 0.0001959800000000, -0.0001917400000000 ] - [ 0.0000786000000000, 0.0000311000000000, -0.0000712900000000 ] - [ -0.0000483300000000, -0.0001531500000000, -0.0000994000000000 ] - [ 0.0000712400000000, -0.0002065800000000, -0.0001088700000000 ] - [ -0.0008945900000000, -0.0000018900000000, 0.0007135100000000 ] - [ 0.0004531100000000, 0.0000244000000000, 0.0001745000000000 ] - [ -0.0004991200000000, -0.0044760100000000, 0.0044891100000000 ] - [ 0.0001293900000000, 0.0000284400000000, -0.0004083600000000 ] - [ 0.0000561700000000, 0.0000164500000000, -0.0005390000000000 ] - [ -0.0025776900000000, 0.0035595000000000, 0.0011847700000000 ] - [ 0.0007171100000000, -0.0002129100000000, -0.0005561900000000 ] - [ -0.0011171300000000, -0.0000233900000000, -0.0005862300000000 ] - [ -0.0007284300000000, 0.0002873400000000, 0.0000604200000000 ] - [ 0.0000768400000000, 0.0002790000000000, 0.0001158300000000 ] - [ -0.0000852700000000, -0.0004823000000000, -0.0007115200000000 ] - [ 0.0261242300000000, 0.0033658300000000, 0.0377895700000000 ] - [ 0.0010928000000000, -0.0012520700000000, -0.0004005400000000 ] - [ -0.0002489200000000, -0.0000414900000000, -0.0001839800000000 ] - [ -0.0000232200000000, -0.0006820200000000, -0.0000101400000000 ] - [ -0.0002765900000000, -0.0002084000000000, -0.0003069300000000 ] - [ -0.0007898300000000, 0.0005200900000000, -0.0003274700000000 ] - [ -0.0002300000000000, 0.0005665900000000, 0.0004721500000000 ] - [ 0.0004137100000000, -0.0000384500000000, 0.0002851600000000 ] - [ -0.0015654000000000, -0.0004565100000000, -0.0006157100000000 ] - [ -0.0004461800000000, 0.0003094900000000, 0.0012679500000000 ] - [ -0.0003442900000000, 0.0003649000000000, -0.0000264200000000 ] - [ -0.0000115500000000, -0.0001843900000000, 0.0000427200000000 ] - [ 0.0001825100000000, -0.0002079900000000, -0.0000712800000000 ] - [ 0.0001852600000000, -0.0004147300000000, 0.0000210500000000 ] - [ 0.0003865900000000, 0.0003431600000000, 0.0002763700000000 ] - [ -0.0000150400000000, 0.0001790700000000, -0.0000728000000000 ] - [ -0.0002144700000000, 0.0002643700000000, 0.0000962100000000 ] - [ 0.0021119100000000, -0.0000661300000000, -0.0001124100000000 ] - [ 0.0001072800000000, -0.0002196800000000, 0.0004780900000000 ] - [ -0.0329594200000000, -0.0023003600000000, -0.0522842100000000 ] - [ 0.0001893200000000, -0.0000979600000000, 0.0002322800000000 ] - [ 0.0003078900000000, -0.0002751500000000, 0.0003098200000000 ] - [ -0.0008563800000000, 0.0008718100000000, 0.0004832600000000 ] - [ -0.0000274500000000, -0.0001083400000000, -0.0002568500000000 ] - [ 0.0003049500000000, 0.0000493800000000, 0.0003813800000000 ] - [ 0.0001679200000000, -0.0002119500000000, -0.0002183100000000 ] - [ -0.0003193200000000, 0.0001647400000000, -0.0002534100000000 ] - [ 0.0000164300000000, -0.0000508100000000, -0.0005705300000000 ] - [ 0.0008525800000000, 0.0000321800000000, 0.0003252100000000 ] - [ 0.0002806200000000, -0.0003487100000000, 0.0002629000000000 ] - [ -0.0000690300000000, -0.0000705500000000, 0.0002311300000000 ] - [ 0.0004428900000000, 0.0003869200000000, -0.0000989600000000 ] - [ -0.0000572900000000, 0.0003759200000000, -0.0003093800000000 ] - [ 0.0004323000000000, -0.0002293300000000, -0.0003243100000000 ] - [ -0.0004379900000000, 0.0000562900000000, 0.0005021500000000 ] - [ 0.0000329000000000, -0.0000821500000000, 0.0003715700000000 ] - [ 0.0005688000000000, 0.0002071400000000, 0.0015385900000000 ] - [ -0.0000903800000000, 0.0000990500000000, 0.0000263300000000 ] - [ 0.0003906800000000, 0.0000088500000000, -0.0000755300000000 ] - [ 0.0000497200000000, -0.0000285500000000, -0.0001965500000000 ] - [ -0.0000676700000000, 0.0001824900000000, 0.0003054400000000 ] - [ 0.0001013100000000, 0.0000982300000000, 0.0002122900000000 ] - [ 0.0002757000000000, -0.0000781600000000, 0.0002132700000000 ] - [ 0.0000398000000000, 0.0001208500000000, -0.0002795400000000 ] - [ 0.0001352800000000, -0.0001083900000000, -0.0008388300000000 ] - [ 0.0003331400000000, -0.0003748300000000, -0.0004593700000000 ] - [ 0.0000238400000000, -0.0001052500000000, -0.0002233600000000 ] - [ 0.0000783300000000, -0.0001656200000000, 0.0004599600000000 ] - [ 0.0114983600000000, -0.0018152300000000, 0.0094575700000000 ] - [ -0.0000981500000000, 0.0001891000000000, 0.0003307200000000 ] - [ -0.0001973800000000, -0.0000569700000000, 0.0002526600000000 ] - [ -0.0012212400000000, -0.0021389800000000, -0.0056976600000000 ] - [ -0.0001785100000000, -0.0000465500000000, 0.0000883300000000 ] - [ 0.0001493200000000, -0.0000608800000000, 0.0000875100000000 ] - [ 0.0002979100000000, 0.0003065800000000, -0.0050139000000000 ] - [ -0.0004591400000000, 0.0002797100000000, 0.0002643100000000 ] - [ 0.0001384200000000, 0.0000454400000000, 0.0003398200000000 ] - [ 0.0000838000000000, 0.0002599700000000, 0.0004313200000000 ]- atom: 46 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0002518200000000, -0.0000908400000000, 0.0002491700000000 ] - [ 0.0011134700000000, 0.0013191600000000, -0.0017675600000000 ] - [ 0.0000137600000000, 0.0000956700000000, 0.0003781700000000 ] - [ -0.0002788100000000, 0.0002022200000000, -0.0004273600000000 ] - [ -0.0002313200000000, 0.0001729300000000, 0.0005186500000000 ] - [ 0.0001408300000000, 0.0000598100000000, 0.0002320700000000 ] - [ 0.0002368600000000, 0.0006399300000000, -0.0002619300000000 ] - [ -0.0001070100000000, -0.0001965200000000, 0.0004581900000000 ] - [ -0.0001815500000000, -0.0012002300000000, -0.0021688200000000 ] - [ -0.0000536000000000, 0.0000561100000000, -0.0002816100000000 ] - [ 0.0010527400000000, -0.0043487900000000, -0.0048994100000000 ] - [ 0.0003029700000000, 0.0002307000000000, 0.0000367700000000 ] - [ -0.0001052700000000, -0.0000287400000000, 0.0004348100000000 ] - [ -0.0001977100000000, -0.0002742700000000, 0.0002557400000000 ] - [ 0.0001737000000000, -0.0002203400000000, -0.0000460400000000 ] - [ 0.0002733100000000, -0.0001591300000000, -0.0004034700000000 ] - [ 0.0001710900000000, -0.0001871100000000, -0.0005002900000000 ] - [ 0.0004790400000000, 0.0041959000000000, -0.0043578400000000 ] - [ -0.0001246800000000, 0.0001338600000000, 0.0003216300000000 ] - [ -0.0000301300000000, -0.0000140000000000, 0.0001797500000000 ] - [ 0.0034963300000000, -0.0037425600000000, -0.0012168300000000 ] - [ 0.0002035000000000, 0.0004087600000000, 0.0004976100000000 ] - [ 0.0002019900000000, -0.0001687700000000, 0.0006509300000000 ] - [ -0.0001972000000000, -0.0000953900000000, 0.0000040800000000 ] - [ 0.0003121600000000, 0.0002136700000000, -0.0009415800000000 ] - [ 0.0001764800000000, 0.0000271400000000, 0.0003474500000000 ] - [ -0.0257478700000000, -0.0028984600000000, -0.0383841900000000 ] - [ -0.0004440900000000, 0.0005888600000000, 0.0003768600000000 ] - [ 0.0001613000000000, -0.0004192900000000, 0.0005531700000000 ] - [ -0.0006344700000000, 0.0000200600000000, 0.0000344000000000 ] - [ -0.0001098300000000, -0.0002846900000000, 0.0011248600000000 ] - [ 0.0001398500000000, 0.0001493800000000, 0.0003490400000000 ] - [ 0.0008825500000000, 0.0001007100000000, -0.0004945800000000 ] - [ -0.0005154800000000, 0.0005015000000000, 0.0000807800000000 ] - [ 0.0019550000000000, -0.0000367500000000, -0.0001886200000000 ] - [ 0.0000646700000000, 0.0001856300000000, -0.0004613800000000 ] - [ 0.0003501800000000, -0.0002068200000000, 0.0000082900000000 ] - [ -0.0002483400000000, -0.0001544700000000, 0.0000453500000000 ] - [ -0.0000755300000000, -0.0001274400000000, 0.0005366200000000 ] - [ -0.0001881100000000, 0.0002559700000000, -0.0000050200000000 ] - [ -0.0002479800000000, -0.0000542600000000, 0.0001279200000000 ] - [ 0.0002757600000000, 0.0001563400000000, -0.0000158900000000 ] - [ 0.0004204900000000, -0.0000572500000000, 0.0000753200000000 ] - [ -0.0019683900000000, 0.0000940100000000, -0.0000591400000000 ] - [ 0.0000330400000000, -0.0000699800000000, -0.0000735000000000 ] - [ 0.0326331300000000, 0.0023442400000000, 0.0523933800000000 ] - [ -0.0001865600000000, -0.0000624400000000, -0.0002511200000000 ] - [ -0.0000481600000000, -0.0000634700000000, -0.0004025900000000 ] - [ 0.0005997400000000, -0.0005369800000000, -0.0003935100000000 ] - [ -0.0003804400000000, 0.0004529100000000, 0.0004147200000000 ] - [ 0.0002629400000000, -0.0000713500000000, -0.0003716800000000 ] - [ -0.0000502600000000, -0.0002351700000000, 0.0000205400000000 ] - [ 0.0001172300000000, 0.0000404400000000, 0.0000856000000000 ] - [ 0.0000070400000000, -0.0000805200000000, 0.0007297400000000 ] - [ -0.0004413900000000, 0.0003039900000000, -0.0004802400000000 ] - [ -0.0000763100000000, 0.0001420100000000, -0.0000932600000000 ] - [ -0.0000732000000000, -0.0002215000000000, -0.0006394900000000 ] - [ -0.0003207300000000, 0.0000609600000000, -0.0001027200000000 ] - [ -0.0002816800000000, -0.0005293400000000, 0.0000542200000000 ] - [ -0.0005588600000000, 0.0000176400000000, -0.0001513300000000 ] - [ 0.0000316800000000, -0.0004024600000000, -0.0003433600000000 ] - [ -0.0001853400000000, 0.0001125900000000, -0.0002210600000000 ] - [ -0.0004565900000000, 0.0001278000000000, -0.0010808800000000 ] - [ -0.0004794000000000, -0.0000810400000000, -0.0000398400000000 ] - [ -0.0002661800000000, 0.0002002800000000, 0.0005485500000000 ] - [ 0.0000998500000000, -0.0000024900000000, 0.0000460200000000 ] - [ -0.0000431200000000, 0.0001524700000000, -0.0007632300000000 ] - [ -0.0001206100000000, 0.0000316700000000, -0.0003659700000000 ] - [ -0.0004816800000000, -0.0001298500000000, -0.0003816100000000 ] - [ -0.0001700900000000, 0.0000877300000000, -0.0001909200000000 ] - [ -0.0002494000000000, -0.0002269500000000, 0.0003876600000000 ] - [ -0.0004582400000000, -0.0000712500000000, 0.0006570200000000 ] - [ -0.0001752400000000, 0.0000749900000000, 0.0003782900000000 ] - [ 0.0000503200000000, -0.0000435700000000, 0.0000108500000000 ] - [ -0.0115012600000000, 0.0020979100000000, -0.0096964600000000 ] - [ -0.0000213600000000, 0.0002570800000000, -0.0001327300000000 ] - [ -0.0003722400000000, 0.0000365400000000, -0.0002648400000000 ] - [ 0.0014850100000000, 0.0019618500000000, 0.0059384600000000 ] - [ -0.0001637400000000, 0.0001943500000000, -0.0003458100000000 ] - [ 0.0002599400000000, -0.0002857100000000, -0.0002515100000000 ] - [ 0.0002238900000000, -0.0002744200000000, 0.0049929400000000 ] - [ 0.0004591400000000, -0.0001207900000000, -0.0002482500000000 ] - [ -0.0001218400000000, 0.0000858900000000, -0.0001899000000000 ] - [ 0.0002584900000000, -0.0001162400000000, -0.0001782500000000 ]- atom: 50 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0010179800000000, -0.0001368000000000, 0.0000485400000000 ] - [ 0.0000053100000000, -0.0000800400000000, -0.0000909300000000 ] - [ -0.0000311700000000, 0.0000961300000000, 0.0001125400000000 ] - [ 0.0002903000000000, 0.0000354200000000, -0.0000128900000000 ] - [ -0.0003928800000000, 0.0000919100000000, 0.0001410100000000 ] - [ 0.0007844000000000, 0.0000764700000000, 0.0000159100000000 ] - [ 0.0015773800000000, -0.0013777300000000, 0.0007453300000000 ] - [ -0.0002621600000000, -0.0001196500000000, 0.0000548200000000 ] - [ 0.0000941300000000, -0.0003720400000000, -0.0007689200000000 ] - [ -0.0004977200000000, 0.0002534600000000, 0.0001608600000000 ] - [ 0.0000333200000000, -0.0000077000000000, 0.0001584500000000 ] - [ 0.0000818800000000, 0.0002187400000000, -0.0000717200000000 ] - [ -0.0008637700000000, -0.0000287300000000, 0.0005761900000000 ] - [ -0.0000713500000000, -0.0002213900000000, 0.0001247900000000 ] - [ -0.0002912300000000, -0.0001187700000000, -0.0002161200000000 ] - [ -0.0004996300000000, -0.0001970400000000, 0.0001755700000000 ] - [ 0.0006105000000000, -0.0000216600000000, -0.0003623400000000 ] - [ 0.0036781000000000, -0.0019539300000000, -0.0004316000000000 ] - [ -0.0004147400000000, -0.0000503600000000, 0.0001024300000000 ] - [ -0.0000227500000000, -0.0000157500000000, -0.0001148300000000 ] - [ 0.0097216600000000, 0.0029462700000000, 0.0012640300000000 ] - [ 0.0006873500000000, 0.0001804100000000, 0.0002097100000000 ] - [ -0.0006067000000000, -0.0000812700000000, -0.0000207900000000 ] - [ -0.0012070000000000, -0.0006367600000000, -0.0007773700000000 ] - [ 0.0002541800000000, 0.0001951700000000, -0.0001427800000000 ] - [ 0.0000863500000000, -0.0001293900000000, 0.0001134200000000 ] - [ 0.0007509600000000, -0.0000990900000000, -0.0002115100000000 ] - [ 0.0004099600000000, -0.0003597900000000, 0.0000800400000000 ] - [ -0.0004433400000000, -0.0002011000000000, -0.0001357500000000 ] - [ -0.0008950600000000, -0.0010194400000000, 0.0000525400000000 ] - [ 0.0000909700000000, -0.0003717400000000, -0.0000671400000000 ] - [ -0.0003887200000000, 0.0003448500000000, -0.0000009600000000 ] - [ 0.0232956300000000, 0.0013870200000000, -0.0124774900000000 ] - [ -0.0001903000000000, -0.0000825700000000, 0.0000567200000000 ] - [ 0.0001728800000000, -0.0006286900000000, -0.0006699300000000 ] - [ 0.0001277600000000, -0.0017290400000000, 0.0016669500000000 ] - [ 0.0003904800000000, 0.0003197800000000, -0.0000485900000000 ] - [ -0.0013788900000000, 0.0042653500000000, -0.0075640700000000 ] - [ 0.0000405800000000, -0.0001636200000000, 0.0000069600000000 ] - [ -0.0009074600000000, -0.0072169000000000, -0.0117016800000000 ] - [ 0.0001496900000000, 0.0002292100000000, 0.0003734200000000 ] - [ 0.0006774500000000, 0.0007265100000000, -0.0001739800000000 ] - [ 0.0000035200000000, 0.0000738800000000, 0.0000197300000000 ] - [ -0.0007449100000000, 0.0012893500000000, 0.0014091400000000 ] - [ 0.0003159400000000, -0.0002656500000000, 0.0003805400000000 ] - [ -0.0004648100000000, -0.0001469500000000, 0.0000110700000000 ] - [ 0.0000512700000000, -0.0000724500000000, -0.0000143400000000 ] - [ 0.0001655700000000, -0.0001817300000000, -0.0000460500000000 ] - [ -0.0001542300000000, 0.0001737600000000, 0.0000018000000000 ] - [ -0.0383029500000000, -0.0039623100000000, 0.0172870900000000 ] - [ 0.0002037800000000, -0.0000670500000000, -0.0002492600000000 ] - [ 0.0000873000000000, -0.0002056600000000, -0.0001847500000000 ] - [ 0.0003812000000000, 0.0002735900000000, 0.0000503200000000 ] - [ 0.0002043000000000, 0.0002060600000000, 0.0007731700000000 ] - [ 0.0002376000000000, 0.0001553100000000, -0.0000658800000000 ] - [ 0.0001168100000000, 0.0015259700000000, 0.0130797000000000 ] - [ -0.0001055300000000, -0.0002074300000000, -0.0003806400000000 ] - [ -0.0000247100000000, 0.0002517100000000, 0.0000163300000000 ] - [ -0.0001058500000000, 0.0000425200000000, 0.0000566500000000 ] - [ -0.0000013700000000, 0.0001576700000000, -0.0000830700000000 ] - [ -0.0002329700000000, -0.0001571400000000, -0.0000135700000000 ] - [ -0.0000112900000000, 0.0000027600000000, 0.0002808800000000 ] - [ 0.0000590500000000, 0.0002198200000000, 0.0005681200000000 ] - [ -0.0003093300000000, 0.0000112900000000, 0.0000241200000000 ] - [ 0.0004542600000000, 0.0003707000000000, -0.0000283800000000 ] - [ 0.0000257100000000, 0.0000148700000000, -0.0001408600000000 ] - [ -0.0003076600000000, 0.0001508300000000, 0.0001890200000000 ] - [ -0.0000129300000000, 0.0000801500000000, -0.0003193000000000 ] - [ -0.0000462300000000, -0.0001056400000000, -0.0000614200000000 ] - [ -0.0000567200000000, 0.0001315300000000, -0.0002968100000000 ] - [ 0.0001465100000000, 0.0001103100000000, -0.0008173900000000 ] - [ 0.0019666500000000, 0.0030345900000000, -0.0022460800000000 ] - [ 0.0015271600000000, 0.0010048600000000, 0.0007104900000000 ] - [ -0.0000453300000000, -0.0001481700000000, 0.0003200700000000 ] - [ -0.0010818100000000, 0.0008489100000000, -0.0002272800000000 ] - [ -0.0001642600000000, 0.0002554700000000, 0.0001439100000000 ] - [ -0.0000508600000000, -0.0001125700000000, 0.0001346400000000 ] - [ -0.0001035600000000, 0.0001875700000000, 0.0001934600000000 ] - [ 0.0000254000000000, 0.0001110800000000, -0.0000950900000000 ] - [ 0.0004688500000000, 0.0000231200000000, -0.0000494100000000 ] - [ -0.0004483700000000, 0.0007829500000000, -0.0005320800000000 ] - [ -0.0000351700000000, 0.0000673900000000, -0.0000384000000000 ] - [ 0.0005416600000000, 0.0000477400000000, 0.0001295300000000 ] - [ 0.0001639600000000, 0.0000812800000000, -0.0000685800000000 ]- atom: 50 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ -0.0004000400000000, 0.0003040400000000, -0.0003611700000000 ] - [ 0.0000010800000000, -0.0000827200000000, 0.0000044000000000 ] - [ 0.0000251800000000, 0.0000659400000000, -0.0000217500000000 ] - [ 0.0000761600000000, 0.0001817600000000, -0.0002149700000000 ] - [ -0.0002257400000000, 0.0000722300000000, 0.0001777100000000 ] - [ -0.0004135700000000, -0.0002968800000000, -0.0002419100000000 ] - [ -0.0018133100000000, 0.0017597900000000, -0.0005844400000000 ] - [ -0.0001081800000000, -0.0000971300000000, 0.0001758200000000 ] - [ -0.0000799800000000, 0.0003459800000000, 0.0003999900000000 ] - [ 0.0001277100000000, -0.0000356600000000, 0.0000677800000000 ] - [ -0.0000587900000000, 0.0000054500000000, 0.0002051900000000 ] - [ 0.0001622000000000, 0.0002080200000000, -0.0000838100000000 ] - [ 0.0008322400000000, 0.0000313600000000, -0.0002129600000000 ] - [ -0.0001742400000000, -0.0002052900000000, 0.0000324200000000 ] - [ 0.0005381100000000, -0.0003081500000000, 0.0000595900000000 ] - [ -0.0001183500000000, 0.0000316400000000, 0.0001421300000000 ] - [ -0.0000068900000000, -0.0001444400000000, 0.0000431300000000 ] - [ -0.0038281400000000, 0.0018986900000000, 0.0004882600000000 ] - [ 0.0004185400000000, 0.0002109200000000, -0.0001921400000000 ] - [ 0.0000488800000000, 0.0000183800000000, -0.0002457400000000 ] - [ -0.0087687600000000, -0.0030178900000000, -0.0013250400000000 ] - [ 0.0002321000000000, 0.0000154100000000, -0.0002650800000000 ] - [ -0.0003166700000000, -0.0001161600000000, 0.0000867900000000 ] - [ 0.0002906900000000, 0.0008288800000000, 0.0008293300000000 ] - [ 0.0001295600000000, 0.0002941800000000, -0.0006650900000000 ] - [ 0.0000026000000000, -0.0003300500000000, -0.0004800500000000 ] - [ -0.0006300000000000, 0.0005591500000000, -0.0001791800000000 ] - [ 0.0002428300000000, -0.0003113800000000, -0.0001013700000000 ] - [ 0.0003543700000000, -0.0002618500000000, 0.0005011600000000 ] - [ 0.0002431000000000, 0.0003507400000000, -0.0000337500000000 ] - [ -0.0004787600000000, -0.0001179400000000, 0.0008830700000000 ] - [ -0.0002663600000000, 0.0003260400000000, 0.0000252100000000 ] - [ -0.0225585500000000, -0.0007130000000000, 0.0122481900000000 ] - [ 0.0000909500000000, 0.0005517400000000, 0.0003211500000000 ] - [ 0.0002055800000000, 0.0001416500000000, -0.0001368400000000 ] - [ -0.0004709900000000, 0.0022356000000000, -0.0008739200000000 ] - [ -0.0003901200000000, -0.0001564400000000, 0.0000345400000000 ] - [ 0.0011651700000000, -0.0046272300000000, 0.0076746200000000 ] - [ 0.0000724800000000, -0.0001706500000000, 0.0004374800000000 ] - [ 0.0009455800000000, 0.0070954600000000, 0.0117496700000000 ] - [ -0.0000053600000000, 0.0000608000000000, 0.0000314400000000 ] - [ -0.0004193400000000, -0.0003921100000000, 0.0000883700000000 ] - [ 0.0001998300000000, 0.0001351000000000, 0.0001473800000000 ] - [ 0.0009032200000000, -0.0012562300000000, -0.0015568900000000 ] - [ -0.0001755600000000, -0.0000243700000000, 0.0000276000000000 ] - [ 0.0004414100000000, 0.0000137500000000, -0.0001622100000000 ] - [ -0.0000477200000000, -0.0000901800000000, -0.0000027500000000 ] - [ 0.0000933600000000, -0.0001556300000000, -0.0000441200000000 ] - [ -0.0001058800000000, 0.0001637200000000, 0.0000860500000000 ] - [ 0.0378586500000000, 0.0040523300000000, -0.0169764900000000 ] - [ 0.0003659500000000, 0.0000465100000000, 0.0002581600000000 ] - [ 0.0000284000000000, -0.0002367100000000, -0.0000163800000000 ] - [ -0.0005857900000000, -0.0000661600000000, -0.0002169400000000 ] - [ -0.0001721500000000, -0.0003416400000000, -0.0006247100000000 ] - [ 0.0001699000000000, 0.0001882500000000, -0.0000972400000000 ] - [ 0.0000638900000000, -0.0017341500000000, -0.0128719500000000 ] - [ -0.0000369300000000, -0.0000838200000000, -0.0000271600000000 ] - [ 0.0001398900000000, 0.0001908500000000, -0.0002154400000000 ] - [ -0.0002390400000000, -0.0001911200000000, -0.0003160100000000 ] - [ -0.0001321200000000, -0.0003686900000000, -0.0003898400000000 ] - [ -0.0001747700000000, -0.0001855700000000, 0.0001712500000000 ] - [ -0.0001466600000000, 0.0000297300000000, -0.0001342700000000 ] - [ 0.0000535200000000, 0.0001140100000000, -0.0001232500000000 ] - [ -0.0002623000000000, 0.0000075900000000, -0.0000396700000000 ] - [ -0.0003340400000000, -0.0001739500000000, 0.0005075300000000 ] - [ 0.0001312300000000, -0.0000457700000000, -0.0000115100000000 ] - [ 0.0001954800000000, 0.0001833200000000, -0.0006384300000000 ] - [ -0.0000053200000000, 0.0000521800000000, 0.0001664800000000 ] - [ -0.0001577100000000, -0.0001032300000000, -0.0001080100000000 ] - [ -0.0000727900000000, 0.0000758400000000, -0.0001755700000000 ] - [ -0.0002621900000000, -0.0004436100000000, 0.0003735600000000 ] - [ -0.0020725000000000, -0.0034440400000000, 0.0024355900000000 ] - [ -0.0016721600000000, -0.0010284100000000, -0.0005492300000000 ] - [ 0.0001759800000000, -0.0000571500000000, 0.0001479200000000 ] - [ 0.0009378000000000, -0.0005632900000000, -0.0001644400000000 ] - [ 0.0000503300000000, 0.0001866900000000, 0.0000529100000000 ] - [ -0.0005208400000000, 0.0000925000000000, -0.0001445200000000 ] - [ 0.0004392100000000, -0.0003262900000000, 0.0000666600000000 ] - [ -0.0003696700000000, 0.0000369700000000, -0.0001623300000000 ] - [ -0.0000620300000000, -0.0003664100000000, -0.0001087900000000 ] - [ 0.0009992500000000, -0.0007372100000000, 0.0005522400000000 ] - [ 0.0000312800000000, 0.0000951600000000, 0.0000530100000000 ] - [ -0.0005228800000000, 0.0000853300000000, 0.0000203900000000 ] - [ 0.0001794900000000, 0.0000649200000000, 0.0003232200000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000329900000000, 0.0002751700000000, -0.0004590900000000 ] - [ -0.0000123000000000, -0.0001331500000000, -0.0001386000000000 ] - [ -0.0000215100000000, 0.0001473200000000, 0.0000241900000000 ] - [ 0.0002696500000000, -0.0000304800000000, -0.0000383500000000 ] - [ -0.0003348100000000, 0.0000273200000000, 0.0001209100000000 ] - [ 0.0007966000000000, -0.0004014400000000, 0.0003965900000000 ] - [ -0.0007018900000000, 0.0018284000000000, -0.0007610100000000 ] - [ -0.0001989600000000, -0.0000576600000000, 0.0000272400000000 ] - [ -0.0005418900000000, -0.0004912000000000, -0.0008006400000000 ] - [ -0.0003256500000000, 0.0002675900000000, 0.0001707900000000 ] - [ 0.0000284100000000, 0.0000522000000000, 0.0002051900000000 ] - [ 0.0000943200000000, 0.0002323900000000, -0.0000632200000000 ] - [ -0.0002828900000000, 0.0008747600000000, 0.0002794800000000 ] - [ -0.0000966300000000, -0.0002392300000000, 0.0000951600000000 ] - [ 0.0001010000000000, -0.0000509700000000, -0.0001306300000000 ] - [ -0.0004340400000000, -0.0002222000000000, 0.0002057700000000 ] - [ 0.0004094800000000, -0.0000700800000000, -0.0001177600000000 ] - [ -0.0024445000000000, 0.0019787800000000, 0.0000975400000000 ] - [ -0.0002742100000000, -0.0007028100000000, 0.0000832000000000 ] - [ -0.0000201900000000, -0.0000620600000000, -0.0001941700000000 ] - [ 0.0043858200000000, 0.0121017600000000, 0.0049605700000000 ] - [ 0.0005459500000000, 0.0002253800000000, 0.0001245400000000 ] - [ -0.0005729000000000, -0.0002447000000000, -0.0000377200000000 ] - [ -0.0009351900000000, -0.0006425100000000, -0.0003050600000000 ] - [ 0.0001782900000000, 0.0002285200000000, -0.0003553900000000 ] - [ 0.0001192200000000, -0.0001925300000000, 0.0001200600000000 ] - [ -0.0005802200000000, -0.0014801300000000, 0.0012485900000000 ] - [ 0.0003964800000000, -0.0003507400000000, 0.0000130100000000 ] - [ 0.0001075500000000, -0.0000437400000000, 0.0001587100000000 ] - [ -0.0006206800000000, -0.0006220500000000, 0.0001678700000000 ] - [ -0.0002298100000000, -0.0001900200000000, 0.0004258400000000 ] - [ -0.0003800800000000, 0.0003025100000000, 0.0000048200000000 ] - [ 0.0004294800000000, 0.0206820000000000, 0.0034474000000000 ] - [ -0.0008190500000000, 0.0004575600000000, 0.0001284600000000 ] - [ -0.0009842400000000, -0.0007503700000000, -0.0010572100000000 ] - [ -0.0004691300000000, -0.0001837100000000, 0.0010731700000000 ] - [ 0.0002815800000000, 0.0003562800000000, -0.0001057700000000 ] - [ 0.0047106400000000, 0.0028194000000000, -0.0122567400000000 ] - [ 0.0000747800000000, -0.0001877900000000, 0.0001829000000000 ] - [ -0.0052829900000000, 0.0005800400000000, 0.0122884500000000 ] - [ 0.0002675500000000, 0.0001711600000000, 0.0004426400000000 ] - [ 0.0005795400000000, 0.0003431700000000, -0.0001230800000000 ] - [ 0.0000649400000000, 0.0000854400000000, 0.0000261400000000 ] - [ -0.0004340000000000, 0.0021767200000000, 0.0024783600000000 ] - [ 0.0000162800000000, -0.0001512500000000, 0.0003120300000000 ] - [ -0.0000538700000000, 0.0003492400000000, -0.0003729500000000 ] - [ 0.0000264900000000, -0.0000477200000000, 0.0000027200000000 ] - [ 0.0001333100000000, -0.0001478600000000, -0.0000227900000000 ] - [ -0.0001447900000000, 0.0001808200000000, 0.0000131200000000 ] - [ -0.0044057100000000, -0.0398940600000000, -0.0043460900000000 ] - [ 0.0002316600000000, -0.0001230200000000, -0.0002153600000000 ] - [ 0.0000875600000000, -0.0001780100000000, -0.0001236000000000 ] - [ 0.0000348800000000, 0.0002184400000000, -0.0001070000000000 ] - [ 0.0006322300000000, -0.0002211700000000, 0.0003449300000000 ] - [ 0.0002204100000000, 0.0001953100000000, -0.0000713900000000 ] - [ 0.0001474400000000, -0.0058420500000000, -0.0003725500000000 ] - [ -0.0001026200000000, -0.0001752600000000, -0.0002975200000000 ] - [ 0.0001578700000000, 0.0006297200000000, -0.0002010500000000 ] - [ 0.0000004300000000, -0.0003059400000000, -0.0002409500000000 ] - [ 0.0006097100000000, -0.0000160400000000, 0.0006155700000000 ] - [ -0.0002180400000000, -0.0001804000000000, 0.0000596300000000 ] - [ -0.0000435600000000, -0.0000000300000000, 0.0000735300000000 ] - [ 0.0002752000000000, 0.0002793300000000, 0.0006125000000000 ] - [ -0.0001632500000000, 0.0000166900000000, 0.0000602600000000 ] - [ 0.0017787200000000, 0.0008171900000000, -0.0006248900000000 ] - [ 0.0000607700000000, -0.0000084600000000, -0.0001025400000000 ] - [ -0.0000827900000000, 0.0000765400000000, -0.0001823500000000 ] - [ 0.0000686200000000, 0.0000732300000000, -0.0002926300000000 ] - [ -0.0000654600000000, -0.0000702900000000, -0.0000493500000000 ] - [ -0.0000520100000000, 0.0000902800000000, -0.0002528200000000 ] - [ 0.0000913600000000, -0.0001115000000000, -0.0005536500000000 ] - [ 0.0021370000000000, 0.0000458900000000, -0.0012071100000000 ] - [ 0.0004422800000000, 0.0002792100000000, 0.0003212400000000 ] - [ 0.0000559600000000, -0.0001129200000000, 0.0002229500000000 ] - [ -0.0009312200000000, 0.0014478100000000, -0.0011541700000000 ] - [ -0.0000587400000000, 0.0001536100000000, 0.0001331100000000 ] - [ -0.0002249900000000, 0.0000818700000000, 0.0000697200000000 ] - [ 0.0005709300000000, 0.0012476300000000, 0.0002231400000000 ] - [ -0.0001565600000000, -0.0000680400000000, -0.0001105800000000 ] - [ 0.0003982900000000, -0.0000445700000000, -0.0001214000000000 ] - [ 0.0016932800000000, 0.0023196500000000, -0.0041365300000000 ] - [ -0.0000250300000000, 0.0000525500000000, -0.0000205600000000 ] - [ -0.0001888800000000, 0.0000872500000000, 0.0001484400000000 ] - [ 0.0001703200000000, 0.0001920400000000, -0.0000861900000000 ]- atom: 50 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005847700000000, -0.0001072300000000, 0.0001473000000000 ] - [ 0.0000162100000000, -0.0000280600000000, 0.0000472800000000 ] - [ 0.0000155000000000, 0.0000147000000000, 0.0000655400000000 ] - [ 0.0001051700000000, 0.0002479500000000, -0.0001946900000000 ] - [ -0.0002831500000000, 0.0001366100000000, 0.0001966600000000 ] - [ -0.0004268300000000, 0.0001790000000000, -0.0006236800000000 ] - [ 0.0005373300000000, -0.0015240100000000, 0.0009631100000000 ] - [ -0.0001707700000000, -0.0001584600000000, 0.0002019900000000 ] - [ 0.0005385400000000, 0.0004596100000000, 0.0004345900000000 ] - [ -0.0000470900000000, -0.0000486800000000, 0.0000605100000000 ] - [ -0.0000553600000000, -0.0000560500000000, 0.0001552900000000 ] - [ 0.0001500700000000, 0.0001944400000000, -0.0000925200000000 ] - [ 0.0002514700000000, -0.0008734100000000, 0.0000850100000000 ] - [ -0.0001484700000000, -0.0001872400000000, 0.0000612500000000 ] - [ 0.0001452600000000, -0.0003740100000000, -0.0000290200000000 ] - [ -0.0001855600000000, 0.0000564700000000, 0.0001139700000000 ] - [ 0.0001991500000000, -0.0000920100000000, -0.0001825200000000 ] - [ 0.0023849400000000, -0.0021226800000000, -0.0000233300000000 ] - [ 0.0002779200000000, 0.0008659500000000, -0.0001728600000000 ] - [ 0.0000465400000000, 0.0000648200000000, -0.0001676400000000 ] - [ -0.0031052300000000, -0.0116955400000000, -0.0047325400000000 ] - [ 0.0003720500000000, -0.0000299600000000, -0.0001833300000000 ] - [ -0.0003475100000000, 0.0000484400000000, 0.0001039300000000 ] - [ 0.0000124500000000, 0.0008316700000000, 0.0003563100000000 ] - [ 0.0002060800000000, 0.0002610100000000, -0.0004526200000000 ] - [ -0.0000324100000000, -0.0002682500000000, -0.0004901200000000 ] - [ 0.0006292700000000, 0.0019587900000000, -0.0015934400000000 ] - [ 0.0002588400000000, -0.0003229600000000, -0.0000353200000000 ] - [ -0.0001972200000000, -0.0004183700000000, 0.0002066100000000 ] - [ -0.0000336300000000, -0.0000494100000000, -0.0001483800000000 ] - [ -0.0001575800000000, -0.0002988700000000, 0.0003899400000000 ] - [ -0.0002744800000000, 0.0003682300000000, 0.0000175600000000 ] - [ 0.0003104300000000, -0.0199929100000000, -0.0037565500000000 ] - [ 0.0007298800000000, 0.0000026600000000, 0.0002453300000000 ] - [ 0.0013654600000000, 0.0002548100000000, 0.0002400800000000 ] - [ 0.0000793500000000, 0.0006591900000000, -0.0002479200000000 ] - [ -0.0002795600000000, -0.0001930900000000, 0.0000919300000000 ] - [ -0.0050301300000000, -0.0031803300000000, 0.0124346100000000 ] - [ 0.0000376200000000, -0.0001473100000000, 0.0002612200000000 ] - [ 0.0052379600000000, -0.0007854700000000, -0.0122375900000000 ] - [ -0.0001257300000000, 0.0001186600000000, -0.0000412200000000 ] - [ -0.0003183700000000, -0.0000036400000000, 0.0000354000000000 ] - [ 0.0001382700000000, 0.0001242200000000, 0.0001413400000000 ] - [ 0.0005791700000000, -0.0021318500000000, -0.0026042500000000 ] - [ 0.0001249100000000, -0.0001381700000000, 0.0000954000000000 ] - [ 0.0000396000000000, -0.0004836000000000, 0.0002193000000000 ] - [ -0.0000233000000000, -0.0001144700000000, -0.0000185500000000 ] - [ 0.0001262600000000, -0.0001900300000000, -0.0000665800000000 ] - [ -0.0001162800000000, 0.0001595400000000, 0.0000771200000000 ] - [ 0.0036510500000000, 0.0398191500000000, 0.0044308500000000 ] - [ 0.0003399700000000, 0.0001038700000000, 0.0002270200000000 ] - [ 0.0000269100000000, -0.0002639400000000, -0.0000770300000000 ] - [ -0.0002363500000000, -0.0000108200000000, -0.0000584600000000 ] - [ -0.0006129800000000, 0.0000932500000000, -0.0001927200000000 ] - [ 0.0001871900000000, 0.0001485900000000, -0.0000895300000000 ] - [ 0.0000329100000000, 0.0056193500000000, 0.0004512400000000 ] - [ -0.0000384400000000, -0.0001146700000000, -0.0001079400000000 ] - [ -0.0000434100000000, -0.0001856900000000, 0.0000041500000000 ] - [ -0.0003439000000000, 0.0001591000000000, -0.0000169200000000 ] - [ -0.0007286200000000, -0.0001875500000000, -0.0010717500000000 ] - [ -0.0001897200000000, -0.0001623000000000, 0.0000986700000000 ] - [ -0.0001165000000000, 0.0000321000000000, 0.0000722800000000 ] - [ -0.0001626200000000, 0.0000546300000000, -0.0001643300000000 ] - [ -0.0004096400000000, 0.0000017400000000, -0.0000759800000000 ] - [ -0.0016350700000000, -0.0006048700000000, 0.0010859700000000 ] - [ 0.0000964700000000, -0.0000229100000000, -0.0000488400000000 ] - [ -0.0000288300000000, 0.0002576500000000, -0.0002658800000000 ] - [ -0.0000858000000000, 0.0000593100000000, 0.0001423700000000 ] - [ -0.0001378500000000, -0.0001378200000000, -0.0001187000000000 ] - [ -0.0000777000000000, 0.0001160400000000, -0.0002187400000000 ] - [ -0.0002036000000000, -0.0002208100000000, 0.0001052500000000 ] - [ -0.0022195700000000, -0.0004730500000000, 0.0013936400000000 ] - [ -0.0005851800000000, -0.0003005800000000, -0.0001637400000000 ] - [ 0.0000751800000000, -0.0000914800000000, 0.0002449900000000 ] - [ 0.0007851400000000, -0.0011595100000000, 0.0007374500000000 ] - [ -0.0000545700000000, 0.0002885100000000, 0.0000639000000000 ] - [ -0.0003451300000000, -0.0001012500000000, -0.0000791900000000 ] - [ -0.0002191700000000, -0.0014068600000000, 0.0000252900000000 ] - [ -0.0001874700000000, 0.0002157300000000, -0.0001455200000000 ] - [ 0.0000093200000000, -0.0002988900000000, -0.0000374400000000 ] - [ -0.0010883500000000, -0.0023276400000000, 0.0041149200000000 ] - [ 0.0000213900000000, 0.0001103500000000, 0.0000356300000000 ] - [ 0.0002089600000000, 0.0000462900000000, 0.0000030600000000 ] - [ 0.0001741400000000, -0.0000457000000000, 0.0003420900000000 ]- atom: 50 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0000888800000000, -0.0002007900000000, -0.0014497400000000 ] - [ -0.0000753400000000, -0.0002103400000000, -0.0005019200000000 ] - [ 0.0000353000000000, 0.0000612800000000, -0.0002825300000000 ] - [ 0.0005070500000000, 0.0001432500000000, -0.0004831000000000 ] - [ -0.0003912100000000, 0.0001235800000000, -0.0000600400000000 ] - [ -0.0001237400000000, 0.0003673100000000, -0.0008749900000000 ] - [ 0.0004872700000000, -0.0009852700000000, 0.0020916300000000 ] - [ -0.0002680300000000, -0.0001732600000000, -0.0001512200000000 ] - [ -0.0010827100000000, -0.0008731100000000, 0.0008676400000000 ] - [ -0.0001074400000000, -0.0000355900000000, 0.0002548400000000 ] - [ -0.0000445400000000, 0.0001150300000000, -0.0002549900000000 ] - [ 0.0000430200000000, 0.0002353600000000, -0.0003255600000000 ] - [ 0.0011027700000000, 0.0001982000000000, -0.0001792200000000 ] - [ -0.0001594300000000, -0.0001746500000000, -0.0002118000000000 ] - [ -0.0002456800000000, -0.0002797100000000, 0.0004044800000000 ] - [ -0.0003728800000000, 0.0000046200000000, 0.0002925300000000 ] - [ 0.0008938100000000, 0.0002071500000000, -0.0014690400000000 ] - [ -0.0010349100000000, 0.0006220700000000, 0.0010407900000000 ] - [ 0.0006485800000000, 0.0001709500000000, -0.0001770000000000 ] - [ 0.0001030000000000, 0.0000297400000000, -0.0004751800000000 ] - [ 0.0022778200000000, 0.0074118100000000, 0.0155078900000000 ] - [ 0.0004754800000000, -0.0000804700000000, -0.0013088200000000 ] - [ -0.0008782900000000, -0.0002592900000000, -0.0011155600000000 ] - [ -0.0008692100000000, 0.0004693900000000, 0.0017965800000000 ] - [ 0.0001029300000000, 0.0003958300000000, -0.0011597100000000 ] - [ 0.0001889500000000, -0.0004203500000000, -0.0009139300000000 ] - [ -0.0035708600000000, 0.0010399200000000, 0.0033843300000000 ] - [ 0.0004491000000000, -0.0003671200000000, -0.0005909000000000 ] - [ 0.0004790200000000, -0.0002888200000000, 0.0008257500000000 ] - [ -0.0002828900000000, -0.0001390900000000, 0.0004346800000000 ] - [ -0.0000604800000000, -0.0002499600000000, -0.0010929200000000 ] - [ -0.0003536900000000, 0.0002667800000000, -0.0003678400000000 ] - [ -0.0215544000000000, -0.0043906900000000, 0.1253292400000000 ] - [ -0.0017991900000000, 0.0004037700000000, -0.0005869600000000 ] - [ -0.0001170700000000, -0.0003525900000000, -0.0009430500000000 ] - [ -0.0003079500000000, 0.0025912500000000, -0.0006904200000000 ] - [ 0.0000934400000000, -0.0000716300000000, -0.0003623000000000 ] - [ -0.0029313100000000, -0.0058445500000000, 0.0057037100000000 ] - [ -0.0000720200000000, -0.0001333700000000, 0.0008148100000000 ] - [ -0.0060067600000000, 0.0105449700000000, 0.0137647800000000 ] - [ 0.0005543300000000, 0.0003736200000000, 0.0014054000000000 ] - [ 0.0000627200000000, 0.0001483600000000, -0.0003959900000000 ] - [ 0.0001034400000000, 0.0001709900000000, 0.0005057700000000 ] - [ 0.0004433700000000, -0.0000726700000000, -0.0000574400000000 ] - [ -0.0002328500000000, 0.0000312400000000, -0.0001591400000000 ] - [ 0.0005990400000000, -0.0001153100000000, -0.0003193100000000 ] - [ -0.0000423700000000, -0.0000740000000000, 0.0002117500000000 ] - [ 0.0000903800000000, -0.0000745500000000, 0.0001818300000000 ] - [ -0.0002471900000000, 0.0003240400000000, 0.0003536100000000 ] - [ 0.0241695400000000, -0.0031024200000000, -0.1734709100000000 ] - [ 0.0002375800000000, -0.0000493800000000, 0.0006983600000000 ] - [ 0.0000431100000000, -0.0001884500000000, 0.0001852200000000 ] - [ -0.0002873100000000, 0.0001207100000000, -0.0004332000000000 ] - [ 0.0018330900000000, -0.0002019800000000, 0.0007289900000000 ] - [ 0.0002154900000000, 0.0001659400000000, 0.0002984000000000 ] - [ 0.0077941100000000, 0.0018338200000000, 0.0118475100000000 ] - [ -0.0000920000000000, -0.0000465200000000, 0.0004270500000000 ] - [ 0.0004789200000000, 0.0003379400000000, -0.0002741600000000 ] - [ 0.0002253200000000, -0.0002336700000000, 0.0000576300000000 ] - [ 0.0002503500000000, 0.0000525800000000, -0.0006247000000000 ] - [ -0.0002867800000000, -0.0001550100000000, 0.0006330500000000 ] - [ 0.0002955200000000, -0.0001485500000000, 0.0007030600000000 ] - [ 0.0002252600000000, 0.0002250000000000, 0.0001786900000000 ] - [ 0.0002828100000000, 0.0003438200000000, 0.0003641200000000 ] - [ 0.0006117900000000, -0.0001811500000000, -0.0005257400000000 ] - [ 0.0000841500000000, -0.0001366600000000, 0.0002708900000000 ] - [ -0.0002482300000000, 0.0001952800000000, 0.0010901400000000 ] - [ -0.0000366400000000, 0.0000612100000000, 0.0003895400000000 ] - [ 0.0000198500000000, -0.0000193600000000, 0.0002028400000000 ] - [ -0.0000253100000000, -0.0000028200000000, 0.0000687500000000 ] - [ -0.0001956000000000, -0.0003717100000000, -0.0004496000000000 ] - [ -0.0008836900000000, -0.0033220600000000, 0.0010195300000000 ] - [ -0.0015608700000000, -0.0012939100000000, -0.0008194100000000 ] - [ 0.0000491000000000, -0.0002842000000000, 0.0007079000000000 ] - [ -0.0000227000000000, 0.0004395500000000, -0.0022284900000000 ] - [ -0.0001130000000000, 0.0001820900000000, 0.0005404500000000 ] - [ -0.0004573900000000, 0.0001348300000000, -0.0002095200000000 ] - [ 0.0010731500000000, -0.0002476400000000, -0.0006176900000000 ] - [ -0.0003370000000000, 0.0000717000000000, -0.0001557800000000 ] - [ 0.0001774500000000, -0.0002529400000000, -0.0005676600000000 ] - [ 0.0007614800000000, -0.0048325000000000, 0.0006429700000000 ] - [ -0.0001661200000000, 0.0000208400000000, 0.0004016800000000 ] - [ -0.0007111600000000, 0.0001162000000000, 0.0001060700000000 ] - [ -0.0000015000000000, 0.0001861500000000, 0.0006026000000000 ]- atom: 50 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0005261700000000, 0.0003681700000000, 0.0011277600000000 ] - [ 0.0000856100000000, 0.0000516600000000, 0.0004107300000000 ] - [ -0.0000450300000000, 0.0000989600000000, 0.0003743900000000 ] - [ -0.0001394200000000, 0.0000763100000000, 0.0002519100000000 ] - [ -0.0002234000000000, 0.0000451500000000, 0.0003775700000000 ] - [ 0.0004908800000000, -0.0005828200000000, 0.0006438100000000 ] - [ -0.0007373400000000, 0.0014289100000000, -0.0019498600000000 ] - [ -0.0001000000000000, -0.0000452300000000, 0.0003811300000000 ] - [ 0.0011137200000000, 0.0008714500000000, -0.0012339600000000 ] - [ -0.0002611100000000, 0.0002520900000000, -0.0000278500000000 ] - [ 0.0000176300000000, -0.0001177800000000, 0.0006150900000000 ] - [ 0.0002011900000000, 0.0001980400000000, 0.0001734000000000 ] - [ -0.0011280600000000, -0.0001959800000000, 0.0005402100000000 ] - [ -0.0000846900000000, -0.0002589500000000, 0.0003638700000000 ] - [ 0.0004884000000000, -0.0001541400000000, -0.0005546700000000 ] - [ -0.0002416100000000, -0.0001718100000000, 0.0000224000000000 ] - [ -0.0002769500000000, -0.0003803000000000, 0.0011494500000000 ] - [ 0.0010322300000000, -0.0007892200000000, -0.0009611000000000 ] - [ -0.0006353700000000, -0.0000114700000000, 0.0000843500000000 ] - [ -0.0000753000000000, -0.0000285700000000, 0.0001147100000000 ] - [ -0.0013190400000000, -0.0075379800000000, -0.0155682100000000 ] - [ 0.0004428600000000, 0.0002768600000000, 0.0012431900000000 ] - [ -0.0000382400000000, 0.0000656100000000, 0.0011875700000000 ] - [ -0.0000439000000000, -0.0002743800000000, -0.0017277100000000 ] - [ 0.0002769600000000, 0.0000966600000000, 0.0003500100000000 ] - [ -0.0001025300000000, -0.0000201300000000, 0.0005579200000000 ] - [ 0.0036776500000000, -0.0005825500000000, -0.0037662300000000 ] - [ 0.0002046900000000, -0.0002901000000000, 0.0005818900000000 ] - [ -0.0005622900000000, -0.0001541300000000, -0.0004680900000000 ] - [ -0.0003708300000000, -0.0005171700000000, -0.0004246400000000 ] - [ -0.0003198300000000, -0.0002439400000000, 0.0019066200000000 ] - [ -0.0002995900000000, 0.0003883500000000, 0.0003766700000000 ] - [ 0.0210764600000000, 0.0044514900000000, -0.1182465500000000 ] - [ 0.0017130200000000, 0.0000310200000000, 0.0009391500000000 ] - [ 0.0005055500000000, -0.0001387800000000, 0.0001373500000000 ] - [ -0.0000652800000000, -0.0020873200000000, 0.0014971800000000 ] - [ -0.0000839800000000, 0.0002382400000000, 0.0003466000000000 ] - [ 0.0026189800000000, 0.0054192900000000, -0.0055241300000000 ] - [ 0.0001886300000000, -0.0002028000000000, -0.0003718800000000 ] - [ 0.0058790500000000, -0.0105155400000000, -0.0135486200000000 ] - [ -0.0004053400000000, -0.0000670900000000, -0.0010041000000000 ] - [ 0.0002023400000000, 0.0002006500000000, 0.0003075500000000 ] - [ 0.0000951800000000, 0.0000419900000000, -0.0003394800000000 ] - [ -0.0002684200000000, 0.0000979700000000, -0.0000961200000000 ] - [ 0.0003822100000000, -0.0003367100000000, 0.0005676900000000 ] - [ -0.0006421900000000, -0.0000227300000000, 0.0001598100000000 ] - [ 0.0000518900000000, -0.0000935900000000, -0.0002269700000000 ] - [ 0.0001737300000000, -0.0002732900000000, -0.0002708200000000 ] - [ -0.0000170800000000, 0.0000249000000000, -0.0002651200000000 ] - [ -0.0234571300000000, 0.0038092400000000, 0.1661115700000000 ] - [ 0.0003344000000000, 0.0000257300000000, -0.0007050000000000 ] - [ 0.0000492900000000, -0.0002527300000000, -0.0003758000000000 ] - [ 0.0000892600000000, 0.0000904400000000, 0.0002654700000000 ] - [ -0.0017973900000000, 0.0000712500000000, -0.0005586300000000 ] - [ 0.0001988500000000, 0.0001701400000000, -0.0004511100000000 ] - [ -0.0074510400000000, -0.0020214200000000, -0.0115008600000000 ] - [ -0.0000592100000000, -0.0002601200000000, -0.0008392000000000 ] - [ -0.0003882100000000, 0.0001025300000000, 0.0000841100000000 ] - [ -0.0005894500000000, 0.0001187000000000, -0.0003031700000000 ] - [ -0.0003979600000000, -0.0002492300000000, 0.0001604500000000 ] - [ -0.0001267900000000, -0.0001813800000000, -0.0004829900000000 ] - [ -0.0004700200000000, 0.0001917400000000, -0.0005692800000000 ] - [ -0.0001113800000000, 0.0001104900000000, 0.0002595700000000 ] - [ -0.0008594900000000, -0.0003230800000000, -0.0003616400000000 ] - [ -0.0004824700000000, 0.0003741900000000, 0.0009915500000000 ] - [ 0.0000904200000000, 0.0000939200000000, -0.0004070300000000 ] - [ 0.0001308100000000, 0.0001413200000000, -0.0015397700000000 ] - [ -0.0000017700000000, 0.0000727500000000, -0.0005533800000000 ] - [ -0.0002174300000000, -0.0001929700000000, -0.0003711900000000 ] - [ -0.0001155800000000, 0.0001970000000000, -0.0005269900000000 ] - [ 0.0000779600000000, 0.0000353800000000, 0.0000128200000000 ] - [ 0.0007773700000000, 0.0028692000000000, -0.0008188900000000 ] - [ 0.0013905900000000, 0.0012541800000000, 0.0009574700000000 ] - [ 0.0000920600000000, 0.0000909900000000, -0.0002520500000000 ] - [ -0.0001257500000000, -0.0001444200000000, 0.0018269700000000 ] - [ 0.0000210300000000, 0.0002581300000000, -0.0003526900000000 ] - [ -0.0001166400000000, -0.0001580500000000, 0.0002124200000000 ] - [ -0.0007186000000000, 0.0001352900000000, 0.0008720400000000 ] - [ -0.0000249300000000, 0.0000488300000000, -0.0000936600000000 ] - [ 0.0002361900000000, -0.0000840700000000, 0.0004142800000000 ] - [ -0.0002030500000000, 0.0048789400000000, -0.0006306400000000 ] - [ 0.0001569100000000, 0.0001471000000000, -0.0003887900000000 ] - [ 0.0007474800000000, 0.0000177400000000, 0.0000562300000000 ] - [ 0.0003635000000000, -0.0000670300000000, -0.0003560700000000 ]- atom: 51 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0007024200000000, 0.0012356100000000, -0.0007841100000000 ] - [ -0.0001428700000000, -0.0001099800000000, 0.0001824000000000 ] - [ -0.0007631100000000, 0.0011686700000000, 0.0008123300000000 ] - [ 0.0002116400000000, 0.0000800700000000, -0.0001761600000000 ] - [ -0.0012520600000000, 0.0001902500000000, 0.0003170400000000 ] - [ 0.0023530900000000, -0.0015537100000000, -0.0018117200000000 ] - [ -0.0001688300000000, 0.0002305000000000, 0.0001375700000000 ] - [ -0.0005498800000000, -0.0002548700000000, 0.0002667100000000 ] - [ 0.0000914800000000, 0.0000194500000000, -0.0002696100000000 ] - [ -0.0001884300000000, 0.0001280600000000, -0.0000298400000000 ] - [ -0.0000300500000000, -0.0000136500000000, 0.0001887700000000 ] - [ 0.0000101000000000, 0.0001336900000000, -0.0002200200000000 ] - [ 0.0001879500000000, 0.0004519700000000, -0.0006630600000000 ] - [ 0.0005226200000000, -0.0004017700000000, 0.0002688400000000 ] - [ -0.0000893700000000, -0.0001828300000000, -0.0001157800000000 ] - [ -0.0003177800000000, -0.0000818000000000, 0.0000144900000000 ] - [ 0.0003257600000000, -0.0000679000000000, -0.0002030500000000 ] - [ 0.0000621600000000, -0.0000897400000000, -0.0000337100000000 ] - [ 0.0002855400000000, -0.0004229400000000, -0.0008169600000000 ] - [ -0.0001656000000000, -0.0009383600000000, 0.0003416700000000 ] - [ 0.0003695800000000, -0.0002027200000000, 0.0001723300000000 ] - [ 0.0062631400000000, 0.0025822200000000, -0.0009565900000000 ] - [ -0.0017349600000000, 0.0004193700000000, -0.0013171800000000 ] - [ -0.0012208700000000, -0.0001004600000000, -0.0003658400000000 ] - [ 0.0008523700000000, 0.0003646900000000, -0.0009802800000000 ] - [ 0.0465123000000000, 0.0402788200000000, -0.0069146700000000 ] - [ 0.0000422300000000, 0.0002423400000000, -0.0002082700000000 ] - [ 0.0008181900000000, -0.0001704500000000, -0.0010598700000000 ] - [ -0.0000465900000000, -0.0001657400000000, -0.0001426400000000 ] - [ -0.0001457800000000, -0.0002454300000000, -0.0006522300000000 ] - [ -0.0014871300000000, -0.0013619100000000, -0.0000269700000000 ] - [ -0.0010365200000000, 0.0000114300000000, 0.0000128300000000 ] - [ 0.0007225800000000, 0.0005849700000000, 0.0001444200000000 ] - [ -0.0000820400000000, 0.0000765800000000, 0.0000511700000000 ] - [ -0.0001902100000000, -0.0002319600000000, 0.0000678000000000 ] - [ -0.0003710800000000, 0.0001812900000000, 0.0001652800000000 ] - [ -0.0000052700000000, 0.0001535200000000, 0.0001823000000000 ] - [ -0.0004788900000000, -0.0003317200000000, 0.0000271400000000 ] - [ -0.0001623800000000, -0.0001617900000000, 0.0001741500000000 ] - [ -0.0002049900000000, -0.0000933400000000, -0.0001009500000000 ] - [ 0.0001981700000000, 0.0002877100000000, 0.0003363900000000 ] - [ 0.0000963900000000, 0.0000999300000000, 0.0001770100000000 ] - [ -0.0001772600000000, 0.0008646400000000, 0.0003754400000000 ] - [ 0.0001791900000000, -0.0000598400000000, -0.0002835700000000 ] - [ 0.0001627900000000, -0.0002334300000000, 0.0004582400000000 ] - [ -0.0000268300000000, -0.0000553300000000, -0.0000610200000000 ] - [ 0.0006091100000000, 0.0000757300000000, -0.0002728700000000 ] - [ 0.0005063100000000, -0.0003108100000000, -0.0001768900000000 ] - [ -0.0007338200000000, 0.0010593200000000, 0.0006381600000000 ] - [ -0.0002828800000000, 0.0001203700000000, 0.0000133800000000 ] - [ -0.0640453200000000, -0.0576384700000000, 0.0134447800000000 ] - [ -0.0001595500000000, -0.0003484800000000, 0.0001227200000000 ] - [ 0.0001461900000000, 0.0001263400000000, 0.0002470000000000 ] - [ 0.0001101400000000, -0.0000649200000000, 0.0001855200000000 ] - [ 0.0004375200000000, 0.0001122100000000, -0.0002071700000000 ] - [ -0.0000501200000000, -0.0000628900000000, -0.0002224100000000 ] - [ 0.0006295200000000, 0.0074176900000000, -0.0103765400000000 ] - [ 0.0004042200000000, 0.0001389500000000, -0.0002991400000000 ] - [ -0.0001730600000000, -0.0000355800000000, -0.0000504200000000 ] - [ 0.0002032800000000, -0.0000840700000000, -0.0003388100000000 ] - [ -0.0009157800000000, -0.0015873100000000, 0.0004011500000000 ] - [ 0.0002476000000000, 0.0001096400000000, 0.0002438100000000 ] - [ 0.0003165300000000, 0.0002450200000000, 0.0000191000000000 ] - [ -0.0001919000000000, 0.0000908700000000, 0.0003003600000000 ] - [ 0.0001884500000000, 0.0001555000000000, 0.0002791700000000 ] - [ -0.0004653200000000, -0.0008453000000000, 0.0010820300000000 ] - [ 0.0011722500000000, 0.0003383500000000, -0.0004500400000000 ] - [ 0.0092772400000000, 0.0088592300000000, 0.0019213400000000 ] - [ 0.0003753200000000, -0.0001065200000000, 0.0000263400000000 ] - [ -0.0002095000000000, -0.0002824900000000, 0.0003148300000000 ] - [ -0.0000184700000000, -0.0001537800000000, -0.0000544700000000 ] - [ 0.0000420100000000, -0.0001965000000000, 0.0001234100000000 ] - [ 0.0000500400000000, 0.0000529200000000, 0.0002117600000000 ] - [ 0.0046145200000000, -0.0017690900000000, 0.0038522700000000 ] - [ -0.0000997100000000, 0.0001618900000000, -0.0001826300000000 ] - [ 0.0012820600000000, 0.0014817300000000, 0.0009433200000000 ] - [ -0.0000474600000000, 0.0001036400000000, 0.0002800800000000 ] - [ 0.0001517200000000, -0.0000782300000000, 0.0001457700000000 ] - [ 0.0000157900000000, -0.0000809900000000, -0.0000256800000000 ] - [ 0.0001829600000000, -0.0000504600000000, 0.0004943400000000 ] - [ 0.0002820000000000, 0.0000188300000000, 0.0000303600000000 ] - [ -0.0007577300000000, -0.0000122300000000, 0.0002536500000000 ] - [ 0.0001456400000000, 0.0000074700000000, 0.0003055400000000 ] - [ -0.0031707100000000, 0.0007783200000000, 0.0000967000000000 ]- atom: 51 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ -0.0000763300000000, -0.0010480400000000, 0.0004522300000000 ] - [ 0.0001431200000000, -0.0000528300000000, -0.0002685000000000 ] - [ 0.0007360700000000, -0.0010073200000000, -0.0007206500000000 ] - [ 0.0001595200000000, 0.0001387300000000, -0.0000517700000000 ] - [ 0.0006315700000000, -0.0000284600000000, 0.0000020900000000 ] - [ -0.0019528000000000, 0.0012891600000000, 0.0015232400000000 ] - [ -0.0000758500000000, 0.0001965800000000, 0.0000188600000000 ] - [ 0.0001798600000000, 0.0000376800000000, -0.0000373000000000 ] - [ -0.0000649800000000, -0.0000221800000000, -0.0000921200000000 ] - [ -0.0001813600000000, 0.0000890600000000, 0.0002600000000000 ] - [ 0.0000019000000000, 0.0000108500000000, 0.0001739700000000 ] - [ 0.0002369000000000, 0.0002933900000000, 0.0000635900000000 ] - [ -0.0002175700000000, -0.0004523100000000, 0.0010199200000000 ] - [ -0.0007646700000000, -0.0000217900000000, -0.0001126000000000 ] - [ 0.0003342300000000, -0.0002448100000000, -0.0000400600000000 ] - [ -0.0003051800000000, -0.0000799000000000, 0.0003056200000000 ] - [ 0.0002986800000000, -0.0000947800000000, -0.0001149400000000 ] - [ -0.0000628300000000, -0.0000732400000000, 0.0001206900000000 ] - [ -0.0002862000000000, 0.0005883500000000, 0.0007293400000000 ] - [ 0.0001907500000000, 0.0009468700000000, -0.0007064100000000 ] - [ 0.0005548200000000, 0.0000066100000000, -0.0002305800000000 ] - [ -0.0053144400000000, -0.0023834000000000, 0.0008329300000000 ] - [ 0.0008098500000000, -0.0006147800000000, 0.0013682600000000 ] - [ 0.0002964300000000, 0.0002963100000000, 0.0004261000000000 ] - [ -0.0004634500000000, 0.0001234800000000, 0.0001705600000000 ] - [ -0.0472098400000000, -0.0424629500000000, 0.0067456300000000 ] - [ 0.0000487400000000, 0.0002137100000000, -0.0001555800000000 ] - [ -0.0001773900000000, -0.0005143300000000, 0.0010542600000000 ] - [ -0.0000533600000000, -0.0002924800000000, 0.0005018500000000 ] - [ -0.0005101400000000, -0.0004209400000000, 0.0006758200000000 ] - [ 0.0011138300000000, 0.0008632900000000, 0.0008418100000000 ] - [ 0.0003782600000000, 0.0006578200000000, 0.0000103000000000 ] - [ -0.0000679100000000, 0.0000813000000000, -0.0001681800000000 ] - [ -0.0000088500000000, 0.0003795500000000, 0.0003152600000000 ] - [ 0.0005738800000000, -0.0002616000000000, -0.0008789700000000 ] - [ -0.0000158400000000, 0.0003129000000000, 0.0006473600000000 ] - [ 0.0000085500000000, 0.0000067500000000, -0.0001981500000000 ] - [ 0.0002178200000000, -0.0000073400000000, 0.0000638700000000 ] - [ 0.0002729000000000, -0.0001724000000000, 0.0002837300000000 ] - [ 0.0002019700000000, -0.0000660800000000, 0.0001175100000000 ] - [ -0.0000539600000000, 0.0000051800000000, 0.0000684700000000 ] - [ 0.0001651900000000, 0.0002378000000000, -0.0002657900000000 ] - [ 0.0003770700000000, -0.0006580700000000, -0.0002124900000000 ] - [ -0.0000268800000000, 0.0000892000000000, 0.0001286100000000 ] - [ -0.0000202100000000, -0.0000575500000000, -0.0000491700000000 ] - [ 0.0000058200000000, -0.0000751600000000, -0.0000933800000000 ] - [ -0.0006032700000000, -0.0002376200000000, 0.0002565500000000 ] - [ -0.0002419100000000, -0.0000305200000000, 0.0000864100000000 ] - [ 0.0004816500000000, -0.0007250400000000, -0.0005580500000000 ] - [ -0.0001240200000000, 0.0002260600000000, 0.0001481500000000 ] - [ 0.0653567800000000, 0.0596131300000000, -0.0135500200000000 ] - [ 0.0002782600000000, -0.0000978200000000, -0.0003221900000000 ] - [ -0.0003478400000000, 0.0000784800000000, -0.0004151700000000 ] - [ -0.0000880100000000, -0.0000656400000000, -0.0000327300000000 ] - [ -0.0000279000000000, 0.0002311500000000, 0.0000453200000000 ] - [ 0.0002550100000000, -0.0001432400000000, 0.0003908200000000 ] - [ -0.0007423600000000, -0.0077836700000000, 0.0100551200000000 ] - [ -0.0002813600000000, 0.0003075300000000, 0.0000992300000000 ] - [ -0.0001687200000000, -0.0001088000000000, -0.0002049700000000 ] - [ -0.0003298000000000, -0.0001257600000000, -0.0001344900000000 ] - [ 0.0005213500000000, 0.0012321800000000, -0.0002803000000000 ] - [ -0.0004058100000000, -0.0000809700000000, -0.0000916200000000 ] - [ -0.0002036400000000, 0.0000909200000000, 0.0004366000000000 ] - [ -0.0003759200000000, -0.0000688300000000, -0.0003112800000000 ] - [ -0.0000596100000000, 0.0000528500000000, 0.0001947800000000 ] - [ 0.0006147400000000, 0.0008170400000000, -0.0012409900000000 ] - [ -0.0012676800000000, -0.0000002800000000, -0.0000105500000000 ] - [ -0.0094791500000000, -0.0088801300000000, -0.0021305200000000 ] - [ -0.0005747000000000, -0.0001007000000000, -0.0001932100000000 ] - [ 0.0000740200000000, 0.0004958000000000, -0.0007947400000000 ] - [ -0.0000916000000000, -0.0001814100000000, -0.0004015500000000 ] - [ -0.0001622900000000, -0.0002506400000000, 0.0000769700000000 ] - [ -0.0002000000000000, -0.0000823200000000, -0.0000575800000000 ] - [ -0.0044375200000000, 0.0015338800000000, -0.0033224800000000 ] - [ -0.0000420100000000, 0.0001291800000000, -0.0002247300000000 ] - [ -0.0013768800000000, -0.0010190600000000, -0.0007274500000000 ] - [ -0.0005173700000000, -0.0001277700000000, -0.0002900200000000 ] - [ 0.0001909500000000, -0.0000651200000000, 0.0001077700000000 ] - [ -0.0003549800000000, 0.0002274300000000, -0.0002285700000000 ] - [ 0.0002272800000000, -0.0002956200000000, -0.0006568100000000 ] - [ 0.0002867400000000, 0.0000011400000000, -0.0000202400000000 ] - [ 0.0007575300000000, 0.0001722700000000, -0.0002434900000000 ] - [ -0.0001170300000000, 0.0001234600000000, -0.0001471800000000 ] - [ 0.0035494000000000, -0.0006133800000000, 0.0001679700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019205100000000, 0.0017205900000000, -0.0017848900000000 ] - [ -0.0000879200000000, -0.0001954400000000, 0.0002218200000000 ] - [ 0.0009590800000000, 0.0006739600000000, -0.0000705300000000 ] - [ 0.0001370300000000, 0.0000385700000000, -0.0002290900000000 ] - [ -0.0007684200000000, 0.0001857500000000, 0.0002127900000000 ] - [ -0.0012738000000000, 0.0033506600000000, 0.0020472900000000 ] - [ -0.0001435100000000, 0.0002436700000000, 0.0000183300000000 ] - [ -0.0004744900000000, -0.0002949100000000, 0.0002518200000000 ] - [ 0.0000605300000000, 0.0000149700000000, -0.0002514800000000 ] - [ -0.0001900800000000, 0.0001319700000000, 0.0000161600000000 ] - [ 0.0001030500000000, 0.0000162400000000, 0.0001367900000000 ] - [ -0.0000939700000000, 0.0001032300000000, -0.0002765600000000 ] - [ 0.0005500300000000, 0.0005071400000000, 0.0004235500000000 ] - [ 0.0004010900000000, -0.0008067900000000, 0.0010729000000000 ] - [ 0.0000236900000000, -0.0001915500000000, -0.0000864500000000 ] - [ -0.0003203900000000, -0.0000944300000000, 0.0000802400000000 ] - [ 0.0003129300000000, -0.0000230700000000, -0.0002727500000000 ] - [ 0.0000397200000000, -0.0000902000000000, 0.0000127000000000 ] - [ -0.0004264700000000, -0.0002043800000000, -0.0011573400000000 ] - [ -0.0007390700000000, -0.0008510100000000, 0.0004603100000000 ] - [ 0.0002832500000000, -0.0003623900000000, -0.0000467000000000 ] - [ 0.0024059000000000, 0.0080086200000000, -0.0040531000000000 ] - [ -0.0007778400000000, 0.0003795500000000, 0.0001932000000000 ] - [ -0.0007187100000000, -0.0001237200000000, -0.0001681400000000 ] - [ 0.0006999900000000, 0.0006711800000000, -0.0008013100000000 ] - [ 0.0403491000000000, 0.0737111600000000, -0.0107932100000000 ] - [ 0.0000687100000000, 0.0002529200000000, -0.0002862600000000 ] - [ 0.0018158400000000, 0.0015790500000000, -0.0027057200000000 ] - [ 0.0001655000000000, 0.0002064900000000, 0.0001559100000000 ] - [ -0.0002076000000000, -0.0001582500000000, -0.0003939400000000 ] - [ -0.0018578200000000, 0.0018323700000000, -0.0008207500000000 ] - [ -0.0005630100000000, -0.0001134500000000, 0.0001015300000000 ] - [ 0.0006276500000000, 0.0009590300000000, 0.0001911900000000 ] - [ -0.0000254700000000, 0.0002197600000000, 0.0001869300000000 ] - [ 0.0001385600000000, -0.0003828300000000, -0.0004247900000000 ] - [ -0.0002575000000000, 0.0001927100000000, 0.0001601400000000 ] - [ 0.0000321800000000, 0.0000941300000000, 0.0001491200000000 ] - [ -0.0003092200000000, -0.0006302800000000, 0.0001091000000000 ] - [ -0.0001003700000000, -0.0002053700000000, 0.0001421100000000 ] - [ 0.0000062600000000, -0.0001294400000000, -0.0003124400000000 ] - [ 0.0000740600000000, 0.0000954100000000, 0.0002479300000000 ] - [ 0.0000789200000000, 0.0000559100000000, 0.0000483200000000 ] - [ -0.0000325300000000, 0.0001079600000000, 0.0002722400000000 ] - [ 0.0000389900000000, 0.0002599400000000, -0.0000318400000000 ] - [ 0.0000956700000000, -0.0001306100000000, 0.0002638700000000 ] - [ -0.0000256300000000, -0.0000460100000000, -0.0000177400000000 ] - [ 0.0004087700000000, 0.0000820600000000, -0.0002278900000000 ] - [ 0.0002692900000000, -0.0000414000000000, -0.0001322800000000 ] - [ -0.0013513500000000, 0.0013991500000000, 0.0014722200000000 ] - [ -0.0002596600000000, 0.0000589400000000, 0.0000304700000000 ] - [ -0.0568989200000000, -0.1084987800000000, 0.0167059100000000 ] - [ -0.0000264100000000, -0.0003300100000000, -0.0001080900000000 ] - [ 0.0000232400000000, 0.0000942500000000, 0.0001127300000000 ] - [ 0.0000383700000000, -0.0000895600000000, 0.0001291500000000 ] - [ 0.0003048600000000, 0.0002644500000000, -0.0002095100000000 ] - [ 0.0000612500000000, -0.0002258900000000, -0.0001504300000000 ] - [ 0.0057830500000000, 0.0015546200000000, -0.0108814700000000 ] - [ 0.0000322000000000, 0.0002778600000000, -0.0001142500000000 ] - [ -0.0001620000000000, -0.0001013200000000, -0.0000772600000000 ] - [ -0.0000242900000000, 0.0000319000000000, -0.0001703700000000 ] - [ -0.0009407100000000, 0.0021576700000000, 0.0049132100000000 ] - [ 0.0000829000000000, -0.0005139200000000, 0.0003922300000000 ] - [ 0.0001285200000000, 0.0005123600000000, 0.0003426200000000 ] - [ -0.0002060000000000, -0.0000378300000000, 0.0000355800000000 ] - [ 0.0001178700000000, 0.0001631600000000, 0.0002980200000000 ] - [ -0.0001959000000000, -0.0011127500000000, 0.0008354400000000 ] - [ 0.0010916000000000, -0.0003094600000000, -0.0002545500000000 ] - [ 0.0047592500000000, 0.0001591700000000, 0.0006336400000000 ] - [ 0.0001411300000000, 0.0000180500000000, -0.0000554000000000 ] - [ 0.0003469400000000, -0.0006410300000000, 0.0003717500000000 ] - [ -0.0000462600000000, -0.0001561900000000, -0.0000628400000000 ] - [ -0.0000198200000000, -0.0001885000000000, 0.0001520300000000 ] - [ -0.0000150900000000, 0.0000407400000000, 0.0002028100000000 ] - [ -0.0013313900000000, -0.0008129700000000, -0.0006769700000000 ] - [ -0.0000971900000000, 0.0001601900000000, -0.0001252200000000 ] - [ 0.0030347700000000, 0.0015844400000000, 0.0021343600000000 ] - [ -0.0004025600000000, 0.0001662200000000, 0.0000303500000000 ] - [ 0.0001442200000000, -0.0000712500000000, 0.0001776200000000 ] - [ 0.0000220200000000, 0.0001359200000000, -0.0001363300000000 ] - [ 0.0002064600000000, -0.0001647200000000, 0.0002607200000000 ] - [ 0.0002768100000000, 0.0000230800000000, 0.0000969200000000 ] - [ -0.0006371500000000, -0.0001793300000000, 0.0004821200000000 ] - [ -0.0001101400000000, 0.0001439700000000, 0.0001415900000000 ] - [ 0.0034568600000000, 0.0138678700000000, 0.0012401500000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012388200000000, -0.0014548400000000, 0.0013993300000000 ] - [ 0.0000943800000000, 0.0000327400000000, -0.0003121400000000 ] - [ -0.0009683400000000, -0.0005085100000000, 0.0001589700000000 ] - [ 0.0002313200000000, 0.0001789000000000, -0.0000002700000000 ] - [ 0.0001518600000000, -0.0000228200000000, 0.0001040700000000 ] - [ 0.0016859600000000, -0.0036029900000000, -0.0023352200000000 ] - [ -0.0001020900000000, 0.0001824300000000, 0.0001385000000000 ] - [ 0.0001036500000000, 0.0000786900000000, -0.0000227200000000 ] - [ -0.0000342300000000, -0.0000180500000000, -0.0001099000000000 ] - [ -0.0001801500000000, 0.0000856800000000, 0.0002151500000000 ] - [ -0.0001286400000000, -0.0000180500000000, 0.0002251100000000 ] - [ 0.0003391300000000, 0.0003234200000000, 0.0001184900000000 ] - [ -0.0005772700000000, -0.0005032200000000, -0.0000601300000000 ] - [ -0.0006489000000000, 0.0003749400000000, -0.0009195100000000 ] - [ 0.0002216600000000, -0.0002344600000000, -0.0000701800000000 ] - [ -0.0002983500000000, -0.0000699300000000, 0.0002400200000000 ] - [ 0.0003056700000000, -0.0001403200000000, -0.0000454800000000 ] - [ -0.0000448400000000, -0.0000711600000000, 0.0000775500000000 ] - [ 0.0004351200000000, 0.0003642400000000, 0.0010710800000000 ] - [ 0.0007731400000000, 0.0008583900000000, -0.0008269500000000 ] - [ 0.0006363400000000, 0.0001665300000000, -0.0000123200000000 ] - [ -0.0015134800000000, -0.0077458600000000, 0.0038998600000000 ] - [ -0.0001294800000000, -0.0005768000000000, -0.0001201100000000 ] - [ -0.0002010400000000, 0.0003178100000000, 0.0002307100000000 ] - [ -0.0003148300000000, -0.0001864700000000, -0.0000006000000000 ] - [ -0.0429235000000000, -0.0772632300000000, 0.0109233300000000 ] - [ 0.0000202200000000, 0.0002092700000000, -0.0000819600000000 ] - [ -0.0011621600000000, -0.0022262100000000, 0.0026791700000000 ] - [ -0.0002458400000000, -0.0006673900000000, 0.0002182600000000 ] - [ -0.0004451500000000, -0.0005100200000000, 0.0004152100000000 ] - [ 0.0014817900000000, -0.0022822700000000, 0.0016317200000000 ] - [ -0.0000881100000000, 0.0007836600000000, -0.0000787900000000 ] - [ 0.0000236200000000, -0.0002861300000000, -0.0002153400000000 ] - [ -0.0000612000000000, 0.0002458800000000, 0.0001863300000000 ] - [ 0.0002426500000000, -0.0001079900000000, -0.0003816200000000 ] - [ -0.0001267000000000, 0.0002989200000000, 0.0006486600000000 ] - [ -0.0000300000000000, 0.0000685100000000, -0.0001650700000000 ] - [ 0.0000503900000000, 0.0002923700000000, -0.0000166500000000 ] - [ 0.0002133700000000, -0.0001277100000000, 0.0003012900000000 ] - [ -0.0000080700000000, -0.0000332800000000, 0.0003275300000000 ] - [ 0.0000662400000000, 0.0001928600000000, 0.0001533200000000 ] - [ 0.0001800400000000, 0.0002798900000000, -0.0001362500000000 ] - [ 0.0002387600000000, 0.0000748000000000, -0.0001099600000000 ] - [ 0.0001201700000000, -0.0002266600000000, -0.0001193100000000 ] - [ 0.0000434900000000, -0.0001582000000000, 0.0001401400000000 ] - [ 0.0000060600000000, -0.0000868500000000, -0.0001336500000000 ] - [ -0.0004064200000000, -0.0002441400000000, 0.0002125500000000 ] - [ -0.0000113100000000, -0.0002941300000000, 0.0000434100000000 ] - [ 0.0010808900000000, -0.0010469800000000, -0.0013673100000000 ] - [ -0.0001465400000000, 0.0002854500000000, 0.0001296200000000 ] - [ 0.0602283600000000, 0.1116267000000000, -0.0171203600000000 ] - [ 0.0001419700000000, -0.0001117300000000, -0.0000938100000000 ] - [ -0.0002267000000000, 0.0001126300000000, -0.0002802000000000 ] - [ -0.0000214200000000, -0.0000437300000000, 0.0000202600000000 ] - [ 0.0001019300000000, 0.0000811000000000, 0.0000481700000000 ] - [ 0.0001454000000000, 0.0000169300000000, 0.0003196200000000 ] - [ -0.0060095100000000, -0.0018292000000000, 0.0105719000000000 ] - [ 0.0000838800000000, 0.0001670600000000, -0.0000854400000000 ] - [ -0.0001819600000000, -0.0000472400000000, -0.0001809700000000 ] - [ -0.0001043800000000, -0.0002391500000000, -0.0003010900000000 ] - [ 0.0005344000000000, -0.0024897700000000, -0.0047004900000000 ] - [ -0.0002408200000000, 0.0005397500000000, -0.0002417800000000 ] - [ -0.0000136900000000, -0.0001741600000000, 0.0001010200000000 ] - [ -0.0003670300000000, 0.0000557200000000, -0.0000519600000000 ] - [ 0.0000118100000000, 0.0000430200000000, 0.0001738400000000 ] - [ 0.0003558000000000, 0.0010880900000000, -0.0009916400000000 ] - [ -0.0012113100000000, 0.0006347300000000, -0.0001856700000000 ] - [ -0.0048360300000000, -0.0000141300000000, -0.0007822000000000 ] - [ -0.0003464000000000, -0.0002245300000000, -0.0001128400000000 ] - [ -0.0004810400000000, 0.0008486100000000, -0.0008508300000000 ] - [ -0.0000666800000000, -0.0001779500000000, -0.0003822000000000 ] - [ -0.0000957300000000, -0.0002552600000000, 0.0000476600000000 ] - [ -0.0001422200000000, -0.0000717200000000, -0.0000521700000000 ] - [ 0.0014344000000000, 0.0006127000000000, 0.0011280500000000 ] - [ -0.0000445800000000, 0.0001300300000000, -0.0002804000000000 ] - [ -0.0030999100000000, -0.0011274500000000, -0.0018978900000000 ] - [ -0.0001724400000000, -0.0001831500000000, -0.0000425900000000 ] - [ 0.0001992600000000, -0.0000749300000000, 0.0000788400000000 ] - [ -0.0003684700000000, 0.0000102600000000, -0.0001209100000000 ] - [ 0.0002008600000000, -0.0001795100000000, -0.0004213700000000 ] - [ 0.0002947100000000, -0.0000048700000000, -0.0000859200000000 ] - [ 0.0006395400000000, 0.0003377700000000, -0.0004686100000000 ] - [ 0.0001206900000000, -0.0000090400000000, 0.0000053800000000 ] - [ -0.0031731400000000, -0.0140282600000000, -0.0010113700000000 ]- atom: 51 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ -0.0000272800000000, -0.0013757300000000, 0.0009494600000000 ] - [ 0.0003595400000000, -0.0000065500000000, -0.0005710800000000 ] - [ 0.0003088900000000, -0.0000534400000000, 0.0013682000000000 ] - [ 0.0002207100000000, 0.0002162300000000, -0.0007055900000000 ] - [ -0.0005080100000000, 0.0000694100000000, 0.0005643300000000 ] - [ -0.0010313400000000, 0.0018409000000000, 0.0019077400000000 ] - [ 0.0000073900000000, 0.0001205400000000, -0.0002931400000000 ] - [ -0.0001941300000000, -0.0001095700000000, 0.0004964100000000 ] - [ -0.0000430700000000, -0.0000482500000000, -0.0005832900000000 ] - [ -0.0002392600000000, 0.0000138800000000, -0.0002955000000000 ] - [ 0.0002566700000000, -0.0000607300000000, -0.0001026100000000 ] - [ -0.0000612000000000, 0.0001685500000000, 0.0000554200000000 ] - [ -0.0012412100000000, 0.0002891000000000, -0.0010149900000000 ] - [ -0.0005373000000000, 0.0000040900000000, 0.0008797300000000 ] - [ 0.0001336100000000, -0.0002162600000000, -0.0001931300000000 ] - [ -0.0003809100000000, 0.0000156600000000, -0.0002044300000000 ] - [ 0.0003700900000000, -0.0002292400000000, -0.0008188600000000 ] - [ -0.0001028600000000, -0.0000602200000000, -0.0003223200000000 ] - [ -0.0001944900000000, -0.0001283900000000, -0.0003491700000000 ] - [ 0.0002813900000000, 0.0002446600000000, 0.0010304200000000 ] - [ 0.0008126300000000, 0.0003914300000000, -0.0011817800000000 ] - [ -0.0013148000000000, -0.0022134300000000, 0.0275148300000000 ] - [ -0.0015610600000000, 0.0000229300000000, 0.0005579300000000 ] - [ -0.0003824600000000, 0.0000460900000000, -0.0006345900000000 ] - [ -0.0010874400000000, 0.0012417600000000, -0.0021955800000000 ] - [ -0.0216144300000000, -0.0257025800000000, 0.0273124600000000 ] - [ -0.0000681600000000, 0.0005448300000000, -0.0008934900000000 ] - [ 0.0008946300000000, -0.0005578200000000, 0.0009994900000000 ] - [ -0.0004763400000000, -0.0003601900000000, -0.0002890200000000 ] - [ -0.0004943100000000, -0.0004203100000000, -0.0002611700000000 ] - [ -0.0002025500000000, -0.0012452700000000, 0.0029424300000000 ] - [ -0.0003651100000000, 0.0004649900000000, 0.0000202700000000 ] - [ 0.0010145200000000, 0.0012852200000000, -0.0010235900000000 ] - [ -0.0003204000000000, -0.0000772300000000, -0.0000231900000000 ] - [ 0.0004008700000000, -0.0004631400000000, -0.0004890300000000 ] - [ -0.0000443400000000, 0.0002453100000000, -0.0005537100000000 ] - [ 0.0000143300000000, 0.0001176900000000, 0.0001693700000000 ] - [ -0.0004620800000000, -0.0005997500000000, 0.0011361500000000 ] - [ 0.0002469500000000, -0.0002718200000000, 0.0011419500000000 ] - [ -0.0002923500000000, -0.0003664900000000, 0.0005246700000000 ] - [ 0.0001400100000000, 0.0002439300000000, 0.0003317200000000 ] - [ 0.0002251100000000, 0.0002018500000000, 0.0002146300000000 ] - [ 0.0001147600000000, 0.0024362600000000, 0.0006937100000000 ] - [ -0.0000251000000000, 0.0002827100000000, 0.0001270600000000 ] - [ 0.0001744800000000, -0.0002430600000000, 0.0003516700000000 ] - [ 0.0001342900000000, -0.0001162300000000, 0.0003201800000000 ] - [ 0.0000231400000000, -0.0001641300000000, -0.0001410800000000 ] - [ 0.0001701500000000, -0.0002879300000000, -0.0002213300000000 ] - [ -0.0004378100000000, 0.0001971900000000, -0.0000491800000000 ] - [ -0.0004388100000000, -0.0000434000000000, 0.0007281200000000 ] - [ 0.0263178600000000, 0.0285848900000000, -0.0630077400000000 ] - [ 0.0005633000000000, -0.0004530100000000, -0.0000195600000000 ] - [ 0.0000642800000000, 0.0000605500000000, 0.0001720100000000 ] - [ 0.0001386100000000, -0.0000221200000000, 0.0003504300000000 ] - [ 0.0002990800000000, 0.0001008800000000, -0.0002222100000000 ] - [ -0.0001310500000000, -0.0004837200000000, 0.0005795700000000 ] - [ -0.0089146900000000, -0.0134094600000000, 0.0096822500000000 ] - [ -0.0002401500000000, 0.0003474300000000, 0.0000649600000000 ] - [ -0.0001789000000000, 0.0001020300000000, 0.0000751500000000 ] - [ -0.0001976900000000, -0.0000402000000000, -0.0000721500000000 ] - [ -0.0005877200000000, 0.0041814400000000, 0.0005043600000000 ] - [ 0.0000252600000000, 0.0005258100000000, -0.0005449800000000 ] - [ -0.0001691500000000, 0.0003371000000000, 0.0001625200000000 ] - [ -0.0000047900000000, 0.0000387200000000, 0.0002770800000000 ] - [ -0.0000456200000000, 0.0001593400000000, 0.0005536000000000 ] - [ 0.0000448000000000, -0.0017992000000000, 0.0011476000000000 ] - [ -0.0006733900000000, 0.0000382300000000, -0.0015323400000000 ] - [ 0.0050095200000000, 0.0027309200000000, -0.0040319100000000 ] - [ -0.0001515700000000, -0.0002773100000000, -0.0002763400000000 ] - [ 0.0020046900000000, -0.0005458300000000, 0.0010000400000000 ] - [ -0.0001414400000000, -0.0002000200000000, 0.0005320500000000 ] - [ -0.0002203400000000, -0.0002104800000000, 0.0004457700000000 ] - [ -0.0000603100000000, 0.0000786200000000, 0.0004064900000000 ] - [ 0.0026366200000000, -0.0006012300000000, -0.0005677300000000 ] - [ -0.0000418000000000, 0.0000273700000000, 0.0003928000000000 ] - [ 0.0006013400000000, 0.0008104400000000, -0.0024291400000000 ] - [ -0.0000550000000000, -0.0000720200000000, 0.0001415400000000 ] - [ 0.0000586600000000, -0.0002826700000000, 0.0005564900000000 ] - [ 0.0000223700000000, 0.0000792400000000, -0.0002359700000000 ] - [ 0.0002472800000000, -0.0001203500000000, 0.0001902200000000 ] - [ 0.0003148900000000, -0.0000782000000000, 0.0005524500000000 ] - [ -0.0008857300000000, 0.0007389300000000, 0.0003062700000000 ] - [ 0.0005963700000000, -0.0000843800000000, 0.0002004800000000 ] - [ 0.0015988400000000, 0.0044542100000000, -0.0042815300000000 ]- atom: 51 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0006511800000000, 0.0015641700000000, -0.0012508400000000 ] - [ -0.0003497000000000, -0.0001525600000000, 0.0004807600000000 ] - [ -0.0003332700000000, 0.0002223000000000, -0.0012670400000000 ] - [ 0.0001484800000000, 0.0000008000000000, 0.0004749600000000 ] - [ -0.0001117000000000, 0.0001003900000000, -0.0002472700000000 ] - [ 0.0014916200000000, -0.0021445900000000, -0.0022209000000000 ] - [ -0.0002531200000000, 0.0003134600000000, 0.0004468500000000 ] - [ -0.0001789200000000, -0.0001087100000000, -0.0002649600000000 ] - [ 0.0000713400000000, 0.0000464300000000, 0.0002229800000000 ] - [ -0.0001301200000000, 0.0002033700000000, 0.0005242800000000 ] - [ -0.0002838200000000, 0.0000580000000000, 0.0004641400000000 ] - [ 0.0003032400000000, 0.0002630900000000, -0.0002089900000000 ] - [ 0.0012252100000000, -0.0002854800000000, 0.0013736400000000 ] - [ 0.0002970800000000, -0.0004409100000000, -0.0007172700000000 ] - [ 0.0001086100000000, -0.0002170000000000, 0.0000395900000000 ] - [ -0.0002314200000000, -0.0001856600000000, 0.0005205900000000 ] - [ 0.0002424200000000, 0.0000591700000000, 0.0005014300000000 ] - [ 0.0000943200000000, -0.0000994100000000, 0.0004136800000000 ] - [ 0.0002044100000000, 0.0002854400000000, 0.0002444500000000 ] - [ -0.0002583800000000, -0.0002466400000000, -0.0013811100000000 ] - [ 0.0001016300000000, -0.0005927400000000, 0.0011130600000000 ] - [ 0.0025073500000000, 0.0025149200000000, -0.0264177600000000 ] - [ 0.0006398000000000, -0.0002135400000000, -0.0004776200000000 ] - [ -0.0005432600000000, 0.0001484200000000, 0.0007000800000000 ] - [ 0.0014740300000000, -0.0007363400000000, 0.0013738100000000 ] - [ 0.0216673200000000, 0.0250995500000000, -0.0279241000000000 ] - [ 0.0001568000000000, -0.0001011600000000, 0.0005374900000000 ] - [ -0.0002308600000000, -0.0001142900000000, -0.0009855800000000 ] - [ 0.0003875800000000, -0.0000807400000000, 0.0006407400000000 ] - [ -0.0001551900000000, -0.0002306600000000, 0.0002633700000000 ] - [ -0.0001889200000000, 0.0007849300000000, -0.0021358000000000 ] - [ -0.0002909500000000, 0.0001902300000000, -0.0000085100000000 ] - [ -0.0003664700000000, -0.0006364300000000, 0.0010186300000000 ] - [ 0.0002327600000000, 0.0005209500000000, 0.0003828100000000 ] - [ -0.0000273400000000, -0.0000257000000000, -0.0003219100000000 ] - [ -0.0003363800000000, 0.0002441200000000, 0.0013617400000000 ] - [ -0.0000002600000000, 0.0000506600000000, -0.0001843300000000 ] - [ 0.0002006300000000, 0.0002527900000000, -0.0010568200000000 ] - [ -0.0001340300000000, -0.0000650100000000, -0.0007017800000000 ] - [ 0.0002786400000000, 0.0002009400000000, -0.0005086200000000 ] - [ 0.0000159500000000, 0.0000646200000000, 0.0000775200000000 ] - [ 0.0000357500000000, 0.0001414700000000, -0.0002994300000000 ] - [ 0.0000788500000000, -0.0021900200000000, -0.0005159700000000 ] - [ 0.0002033300000000, -0.0002362600000000, -0.0002547100000000 ] - [ -0.0000186900000000, -0.0000660500000000, 0.0000644600000000 ] - [ -0.0001759000000000, -0.0000199900000000, -0.0004837100000000 ] - [ -0.0000054900000000, -0.0000043600000000, 0.0001214700000000 ] - [ 0.0000950400000000, -0.0000591700000000, 0.0001324900000000 ] - [ 0.0001753600000000, 0.0001481200000000, 0.0001260700000000 ] - [ 0.0000249700000000, 0.0003775900000000, -0.0005787700000000 ] - [ -0.0260693000000000, -0.0285238000000000, 0.0619341500000000 ] - [ -0.0004780100000000, 0.0000098100000000, -0.0001674600000000 ] - [ -0.0002619000000000, 0.0001542800000000, -0.0003381100000000 ] - [ -0.0000982000000000, -0.0001138600000000, -0.0001873700000000 ] - [ 0.0001178800000000, 0.0002314600000000, 0.0000686600000000 ] - [ 0.0003332500000000, 0.0002692700000000, -0.0004101400000000 ] - [ 0.0086587800000000, 0.0129343700000000, -0.0099494400000000 ] - [ 0.0003297200000000, 0.0000930800000000, -0.0002525400000000 ] - [ -0.0001824500000000, -0.0002232000000000, -0.0003237100000000 ] - [ 0.0000577900000000, -0.0001511000000000, -0.0003831400000000 ] - [ 0.0001783700000000, -0.0044732600000000, -0.0003876200000000 ] - [ -0.0002004500000000, -0.0004851300000000, 0.0006733000000000 ] - [ 0.0002867600000000, -0.0000031300000000, 0.0002793700000000 ] - [ -0.0005660400000000, -0.0000157200000000, -0.0002712600000000 ] - [ 0.0001901600000000, 0.0000337500000000, -0.0000961900000000 ] - [ 0.0001100700000000, 0.0017400200000000, -0.0012745500000000 ] - [ 0.0005608900000000, 0.0002940600000000, 0.0010933100000000 ] - [ -0.0049920500000000, -0.0025389500000000, 0.0038996300000000 ] - [ -0.0000461900000000, 0.0000614500000000, 0.0001057100000000 ] - [ -0.0021292200000000, 0.0007306900000000, -0.0014429200000000 ] - [ 0.0000255100000000, -0.0001339800000000, -0.0009697900000000 ] - [ 0.0001357600000000, -0.0002308700000000, -0.0002584700000000 ] - [ -0.0001150300000000, -0.0001239100000000, -0.0002761300000000 ] - [ -0.0025083200000000, 0.0004035900000000, 0.0010057200000000 ] - [ -0.0001150900000000, 0.0002824000000000, -0.0008041400000000 ] - [ -0.0006515600000000, -0.0003642500000000, 0.0026370300000000 ] - [ -0.0005159400000000, 0.0000487200000000, -0.0001304700000000 ] - [ 0.0003023800000000, 0.0001621100000000, -0.0003081500000000 ] - [ -0.0003814800000000, 0.0000420100000000, -0.0000102300000000 ] - [ 0.0001671700000000, -0.0002123100000000, -0.0003352700000000 ] - [ 0.0002575900000000, 0.0001021200000000, -0.0005599900000000 ] - [ 0.0008581000000000, -0.0005705800000000, -0.0002884300000000 ] - [ -0.0005540500000000, 0.0002206100000000, -0.0000324500000000 ] - [ -0.0012143900000000, -0.0042522500000000, 0.0045538100000000 ]- atom: 52 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0004514500000000, 0.0000710600000000, -0.0001993200000000 ] - [ -0.0009363800000000, 0.0000820500000000, -0.0001136800000000 ] - [ -0.0005001100000000, 0.0001727100000000, 0.0000677300000000 ] - [ 0.0008616500000000, -0.0004040900000000, -0.0001306800000000 ] - [ -0.0003438800000000, 0.0000356400000000, 0.0006454900000000 ] - [ 0.0003702800000000, -0.0000689000000000, -0.0000956100000000 ] - [ -0.0002376700000000, 0.0001741200000000, 0.0003255100000000 ] - [ -0.0001210500000000, -0.0000366500000000, 0.0005792500000000 ] - [ -0.0001590100000000, 0.0001609400000000, -0.0004867000000000 ] - [ 0.0007673300000000, 0.0003573200000000, 0.0000063100000000 ] - [ -0.0007079800000000, -0.0002269000000000, 0.0001723900000000 ] - [ 0.0004823600000000, 0.0006384200000000, -0.0000938300000000 ] - [ -0.0000599100000000, 0.0000613900000000, 0.0001118400000000 ] - [ 0.0018972700000000, -0.0001232100000000, 0.0011795300000000 ] - [ 0.0001504700000000, -0.0002112600000000, 0.0000278900000000 ] - [ 0.0007242600000000, -0.0004020500000000, 0.0008269000000000 ] - [ -0.0001043000000000, 0.0006384100000000, 0.0001856400000000 ] - [ -0.0001191700000000, -0.0002262100000000, -0.0002593700000000 ] - [ -0.0000471900000000, 0.0000210700000000, -0.0001317000000000 ] - [ -0.0005667700000000, -0.0000522800000000, -0.0001017500000000 ] - [ 0.0002389300000000, -0.0000956200000000, 0.0003029200000000 ] - [ 0.0032997400000000, 0.0034344700000000, -0.0045464300000000 ] - [ 0.0177866300000000, 0.0112620700000000, -0.0085157200000000 ] - [ -0.0003374400000000, 0.0000148100000000, 0.0003575900000000 ] - [ 0.0435186400000000, -0.0358080900000000, -0.0150720000000000 ] - [ 0.0002377000000000, -0.0000145600000000, -0.0015530800000000 ] - [ -0.0008484400000000, -0.0001747700000000, -0.0002765500000000 ] - [ 0.0014454400000000, 0.0001355000000000, -0.0001767400000000 ] - [ -0.0003397500000000, -0.0002955700000000, 0.0002060600000000 ] - [ 0.0001778700000000, -0.0001769500000000, 0.0000221100000000 ] - [ 0.0024621300000000, -0.0002854600000000, 0.0014170500000000 ] - [ -0.0011296100000000, 0.0010796900000000, -0.0010302900000000 ] - [ 0.0004389000000000, 0.0003689300000000, 0.0000007900000000 ] - [ -0.0005982700000000, -0.0019149900000000, -0.0004742000000000 ] - [ 0.0001159300000000, -0.0002196600000000, -0.0000086800000000 ] - [ 0.0000708400000000, 0.0003826600000000, 0.0005757700000000 ] - [ -0.0001289700000000, 0.0001416900000000, 0.0001214200000000 ] - [ -0.0001248400000000, -0.0001761700000000, 0.0000595400000000 ] - [ 0.0008350800000000, -0.0066146900000000, -0.0061001300000000 ] - [ 0.0000214700000000, -0.0000859300000000, -0.0000014200000000 ] - [ 0.0021408300000000, 0.0025730200000000, 0.0017694200000000 ] - [ -0.0000164200000000, 0.0000964100000000, 0.0000280900000000 ] - [ -0.0003425100000000, 0.0000597600000000, 0.0000696700000000 ] - [ 0.0000384200000000, -0.0000067600000000, -0.0002346100000000 ] - [ 0.0001283300000000, -0.0001422700000000, 0.0000994500000000 ] - [ 0.0005680100000000, 0.0000630800000000, 0.0001524000000000 ] - [ 0.0011445900000000, -0.0007730100000000, -0.0000888600000000 ] - [ 0.0006830900000000, -0.0011486000000000, -0.0003360000000000 ] - [ 0.0000407000000000, 0.0000705200000000, 0.0001095200000000 ] - [ -0.0001789300000000, 0.0001963200000000, 0.0000579500000000 ] - [ 0.0000722700000000, -0.0000960800000000, 0.0004943900000000 ] - [ -0.0808951800000000, 0.0389867500000000, 0.0297991300000000 ] - [ -0.0004379800000000, 0.0001926500000000, -0.0002033500000000 ] - [ 0.0017554000000000, 0.0004266500000000, 0.0008543200000000 ] - [ 0.0022310500000000, -0.0020225100000000, -0.0004694300000000 ] - [ 0.0000936500000000, -0.0000782800000000, 0.0000729600000000 ] - [ -0.0002102800000000, -0.0002202500000000, 0.0008466800000000 ] - [ 0.0000418200000000, 0.0001877900000000, -0.0002113300000000 ] - [ -0.0005558000000000, 0.0008466500000000, 0.0004076500000000 ] - [ -0.0000635200000000, -0.0001287400000000, -0.0003588900000000 ] - [ -0.0002893800000000, -0.0002653300000000, 0.0004831500000000 ] - [ -0.0016911100000000, 0.0027114100000000, -0.0029120700000000 ] - [ 0.0000584900000000, 0.0001757400000000, -0.0000776000000000 ] - [ 0.0010439600000000, 0.0030806900000000, 0.0009177800000000 ] - [ 0.0000376900000000, 0.0000743100000000, 0.0000965800000000 ] - [ 0.0111612000000000, -0.0127289100000000, 0.0037006000000000 ] - [ -0.0006314700000000, 0.0000995500000000, -0.0006720900000000 ] - [ 0.0004297400000000, 0.0000143700000000, 0.0004009500000000 ] - [ 0.0020072200000000, -0.0021734400000000, -0.0027909200000000 ] - [ -0.0048471300000000, -0.0003929800000000, 0.0007255600000000 ] - [ -0.0002933400000000, -0.0001505400000000, -0.0003775300000000 ] - [ -0.0000644100000000, -0.0005194300000000, -0.0000577300000000 ] - [ -0.0003012700000000, -0.0000987500000000, -0.0000446100000000 ] - [ -0.0021007200000000, -0.0000062000000000, -0.0003442700000000 ] - [ 0.0001045900000000, 0.0001727200000000, -0.0003022800000000 ] - [ -0.0014039400000000, 0.0000796300000000, 0.0004701800000000 ] - [ -0.0001887700000000, -0.0000496800000000, -0.0001713900000000 ] - [ 0.0006946500000000, 0.0002249400000000, -0.0000816100000000 ] - [ -0.0000243800000000, 0.0001098500000000, -0.0002365800000000 ] - [ 0.0001007700000000, -0.0001683300000000, -0.0001496500000000 ] - [ 0.0006329800000000, 0.0000370500000000, -0.0002102100000000 ] - [ 0.0000320300000000, -0.0011237900000000, 0.0002965600000000 ] - [ 0.0002073700000000, 0.0000915400000000, 0.0000817300000000 ] - [ 0.0001440500000000, 0.0001035500000000, 0.0005724300000000 ]- atom: 52 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0001604000000000, 0.0000982200000000, -0.0001171900000000 ] - [ 0.0009504400000000, -0.0002359400000000, 0.0000232700000000 ] - [ 0.0004913500000000, -0.0000131100000000, 0.0000244300000000 ] - [ -0.0005521000000000, 0.0006070800000000, -0.0000641000000000 ] - [ -0.0002676900000000, 0.0001335800000000, -0.0003286000000000 ] - [ -0.0000020500000000, -0.0001484500000000, -0.0001339100000000 ] - [ -0.0000062100000000, 0.0002589900000000, -0.0001722900000000 ] - [ -0.0002472700000000, -0.0001807200000000, -0.0003482800000000 ] - [ 0.0001861000000000, -0.0001611900000000, 0.0001249600000000 ] - [ -0.0011326500000000, -0.0001396500000000, 0.0002232700000000 ] - [ 0.0006833900000000, 0.0002186000000000, 0.0001894900000000 ] - [ -0.0002379400000000, -0.0002018900000000, -0.0000582800000000 ] - [ 0.0000331800000000, -0.0000600100000000, 0.0002490700000000 ] - [ -0.0021732000000000, -0.0003246400000000, -0.0010859100000000 ] - [ 0.0000936400000000, -0.0002221600000000, -0.0001800700000000 ] - [ -0.0013327800000000, 0.0002255000000000, -0.0004916400000000 ] - [ 0.0007154200000000, -0.0008105700000000, -0.0005057600000000 ] - [ 0.0001101400000000, 0.0000647400000000, 0.0003497700000000 ] - [ 0.0000569400000000, 0.0001395500000000, 0.0000399500000000 ] - [ 0.0005957000000000, 0.0000541500000000, -0.0002594400000000 ] - [ 0.0006755200000000, -0.0001038500000000, -0.0003720700000000 ] - [ -0.0024041800000000, -0.0032647300000000, 0.0044972900000000 ] - [ -0.0181975800000000, -0.0109603900000000, 0.0082109300000000 ] - [ -0.0005777700000000, 0.0001831600000000, -0.0002880300000000 ] - [ -0.0438278000000000, 0.0379002400000000, 0.0147730600000000 ] - [ -0.0001508600000000, -0.0004287200000000, 0.0011984700000000 ] - [ 0.0009411900000000, 0.0006191600000000, -0.0000816100000000 ] - [ -0.0008073300000000, -0.0007960700000000, 0.0001615200000000 ] - [ 0.0002523900000000, -0.0001509400000000, 0.0001531200000000 ] - [ -0.0008289500000000, -0.0004746600000000, -0.0000135200000000 ] - [ -0.0028147800000000, -0.0001937900000000, -0.0006004100000000 ] - [ 0.0004612100000000, -0.0004244300000000, 0.0009546900000000 ] - [ 0.0002128900000000, 0.0002840700000000, -0.0000113500000000 ] - [ 0.0005211400000000, 0.0023599100000000, 0.0008367300000000 ] - [ 0.0002619600000000, -0.0002709200000000, -0.0007996200000000 ] - [ -0.0004497900000000, 0.0001101100000000, 0.0002377900000000 ] - [ 0.0001375500000000, 0.0000233700000000, -0.0001363500000000 ] - [ -0.0001369400000000, -0.0001687300000000, 0.0000278500000000 ] - [ -0.0006664600000000, 0.0063164900000000, 0.0065842300000000 ] - [ -0.0000296000000000, -0.0000784400000000, 0.0000169300000000 ] - [ -0.0019805800000000, -0.0022610500000000, -0.0013541800000000 ] - [ 0.0002781300000000, 0.0002468800000000, -0.0001142200000000 ] - [ 0.0005532100000000, 0.0001596200000000, 0.0001061900000000 ] - [ 0.0001424600000000, 0.0000491300000000, 0.0001017000000000 ] - [ 0.0000210800000000, -0.0001610000000000, 0.0003085500000000 ] - [ -0.0006086800000000, -0.0001989000000000, -0.0003162000000000 ] - [ -0.0011351400000000, 0.0005936100000000, 0.0000951600000000 ] - [ -0.0004196300000000, 0.0008038800000000, 0.0002597300000000 ] - [ -0.0003002100000000, 0.0002806300000000, -0.0000201600000000 ] - [ -0.0002323100000000, 0.0001428700000000, 0.0000941600000000 ] - [ 0.0005009700000000, 0.0000740300000000, -0.0004975200000000 ] - [ 0.0813537800000000, -0.0417194800000000, -0.0300547600000000 ] - [ 0.0002381900000000, 0.0000167700000000, 0.0000362600000000 ] - [ -0.0017027700000000, -0.0005590900000000, -0.0006870100000000 ] - [ -0.0018298900000000, 0.0023516900000000, 0.0003457500000000 ] - [ 0.0001088200000000, -0.0001314500000000, 0.0000955200000000 ] - [ 0.0000634500000000, -0.0000834500000000, -0.0012527700000000 ] - [ 0.0000482100000000, 0.0002478500000000, 0.0000215400000000 ] - [ 0.0001911900000000, -0.0009612800000000, -0.0006564200000000 ] - [ -0.0000782000000000, -0.0000618000000000, -0.0000980600000000 ] - [ -0.0001220300000000, -0.0000689800000000, -0.0003312400000000 ] - [ 0.0015001600000000, -0.0026431900000000, 0.0030183600000000 ] - [ 0.0000598200000000, 0.0001589800000000, 0.0005109100000000 ] - [ -0.0016079600000000, -0.0030368200000000, -0.0009235000000000 ] - [ 0.0001057000000000, 0.0001159400000000, 0.0003602000000000 ] - [ -0.0112060600000000, 0.0128922400000000, -0.0039143600000000 ] - [ 0.0005090500000000, 0.0002326800000000, 0.0002363100000000 ] - [ -0.0004682600000000, 0.0001209900000000, -0.0005649300000000 ] - [ -0.0021689200000000, 0.0019449300000000, 0.0025880700000000 ] - [ 0.0047185600000000, 0.0005591000000000, -0.0011691300000000 ] - [ 0.0001759300000000, -0.0001838400000000, -0.0000614200000000 ] - [ -0.0000237300000000, 0.0000836400000000, 0.0002458700000000 ] - [ 0.0001207300000000, 0.0000564200000000, 0.0001772600000000 ] - [ 0.0022256800000000, -0.0001980700000000, 0.0008011600000000 ] - [ -0.0002552100000000, 0.0001318400000000, -0.0001068300000000 ] - [ 0.0013154600000000, 0.0003546100000000, -0.0002810900000000 ] - [ -0.0003847500000000, 0.0000278700000000, 0.0001733300000000 ] - [ -0.0003334000000000, -0.0003468900000000, 0.0003306600000000 ] - [ -0.0003360200000000, 0.0000148800000000, -0.0000143100000000 ] - [ 0.0003115300000000, -0.0001706600000000, -0.0000023900000000 ] - [ -0.0000594300000000, -0.0000163000000000, 0.0002095100000000 ] - [ -0.0000344000000000, 0.0012968800000000, -0.0002812700000000 ] - [ -0.0001703500000000, 0.0000451800000000, 0.0000802400000000 ] - [ 0.0002192000000000, 0.0000161700000000, -0.0003230400000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003363900000000, -0.0000106000000000, -0.0000712100000000 ] - [ 0.0001726100000000, 0.0002172100000000, 0.0000351900000000 ] - [ 0.0000569700000000, -0.0000001100000000, 0.0000768600000000 ] - [ -0.0009604000000000, 0.0002225600000000, 0.0004501000000000 ] - [ -0.0003572200000000, 0.0003163600000000, 0.0000703900000000 ] - [ 0.0002123100000000, -0.0000213400000000, -0.0000266500000000 ] - [ -0.0000840000000000, 0.0002713800000000, -0.0000540000000000 ] - [ -0.0002777400000000, -0.0004032400000000, 0.0000542200000000 ] - [ 0.0000249300000000, 0.0000914200000000, -0.0002816300000000 ] - [ -0.0003024300000000, -0.0001307900000000, -0.0003073700000000 ] - [ 0.0000484400000000, -0.0003137700000000, 0.0002747200000000 ] - [ -0.0000191700000000, -0.0013589600000000, -0.0000719000000000 ] - [ 0.0000157600000000, -0.0000137200000000, 0.0002166800000000 ] - [ -0.0005182800000000, 0.0001356100000000, -0.0003868500000000 ] - [ 0.0001130600000000, -0.0002351900000000, -0.0000390900000000 ] - [ 0.0000041700000000, 0.0003000400000000, 0.0010383900000000 ] - [ 0.0004013400000000, -0.0004404200000000, -0.0002651000000000 ] - [ 0.0000094600000000, -0.0001749300000000, -0.0000406000000000 ] - [ 0.0000183200000000, 0.0000925300000000, -0.0000104700000000 ] - [ 0.0000931500000000, 0.0000637300000000, -0.0001904400000000 ] - [ 0.0002727000000000, -0.0001530800000000, 0.0000973100000000 ] - [ 0.0023677500000000, -0.0003968600000000, 0.0018981700000000 ] - [ 0.0141953000000000, 0.0221073800000000, -0.0096967300000000 ] - [ -0.0005127500000000, 0.0002132800000000, 0.0002174300000000 ] - [ -0.0447746200000000, 0.0933454900000000, 0.0211941400000000 ] - [ -0.0000526800000000, 0.0003035000000000, 0.0003514800000000 ] - [ 0.0001000100000000, 0.0004825300000000, -0.0001669200000000 ] - [ 0.0003141900000000, -0.0002997900000000, 0.0001422800000000 ] - [ -0.0000140400000000, -0.0003302400000000, 0.0002849600000000 ] - [ -0.0004335300000000, -0.0000891900000000, 0.0000520800000000 ] - [ -0.0000309300000000, -0.0004430900000000, 0.0009696500000000 ] - [ 0.0010445000000000, 0.0003954400000000, -0.0012552400000000 ] - [ 0.0003396800000000, 0.0003387900000000, -0.0000756800000000 ] - [ 0.0001820000000000, -0.0007520000000000, -0.0000945600000000 ] - [ 0.0001943100000000, -0.0002135900000000, -0.0004688300000000 ] - [ -0.0004740700000000, 0.0005554500000000, 0.0016140200000000 ] - [ -0.0000092200000000, -0.0000794800000000, -0.0002363800000000 ] - [ -0.0001280600000000, -0.0001562000000000, 0.0000372100000000 ] - [ -0.0039194400000000, -0.0008329700000000, 0.0041551600000000 ] - [ 0.0000095500000000, -0.0000521200000000, 0.0000105000000000 ] - [ 0.0008508100000000, 0.0009573900000000, 0.0008473400000000 ] - [ 0.0001005600000000, 0.0000635800000000, 0.0000132300000000 ] - [ -0.0002295800000000, 0.0007700100000000, 0.0000233800000000 ] - [ 0.0001125000000000, 0.0000018000000000, -0.0000543500000000 ] - [ 0.0000599900000000, -0.0001057000000000, 0.0001144000000000 ] - [ -0.0001370900000000, -0.0001446300000000, -0.0000927800000000 ] - [ 0.0006814700000000, -0.0017476300000000, -0.0004592900000000 ] - [ -0.0002321700000000, 0.0005609600000000, 0.0003696300000000 ] - [ -0.0003637800000000, 0.0007883000000000, 0.0001094800000000 ] - [ -0.0001873400000000, 0.0002167700000000, 0.0001220600000000 ] - [ 0.0001566400000000, -0.0001204500000000, -0.0002607200000000 ] - [ 0.0415274200000000, -0.1316863800000000, -0.0173696700000000 ] - [ 0.0000080200000000, -0.0000245400000000, -0.0001489700000000 ] - [ 0.0004643800000000, 0.0002013200000000, 0.0003273700000000 ] - [ -0.0030055400000000, 0.0004340300000000, 0.0023964700000000 ] - [ 0.0001381300000000, -0.0000547700000000, 0.0000509700000000 ] - [ -0.0000677100000000, -0.0004833900000000, -0.0006034200000000 ] - [ 0.0000849400000000, 0.0001852200000000, -0.0001115200000000 ] - [ -0.0001942000000000, 0.0002638900000000, 0.0000680600000000 ] - [ -0.0000436300000000, -0.0000915800000000, -0.0002570100000000 ] - [ -0.0002346800000000, 0.0002336800000000, -0.0000428600000000 ] - [ -0.0001684300000000, 0.0006611900000000, -0.0009268900000000 ] - [ 0.0000575100000000, 0.0001771100000000, 0.0002598200000000 ] - [ 0.0009743100000000, 0.0013610400000000, 0.0008629200000000 ] - [ 0.0001640200000000, 0.0000553100000000, 0.0000867400000000 ] - [ -0.0043821200000000, -0.0008439500000000, 0.0003032200000000 ] - [ 0.0000018400000000, 0.0002061800000000, -0.0006306000000000 ] - [ -0.0000728900000000, -0.0000307100000000, -0.0002574700000000 ] - [ -0.0030486900000000, -0.0002356600000000, 0.0013547200000000 ] - [ -0.0014939200000000, 0.0153268700000000, -0.0026391300000000 ] - [ 0.0000902900000000, -0.0000021500000000, -0.0011881000000000 ] - [ 0.0002428200000000, 0.0000128100000000, -0.0002796200000000 ] - [ -0.0000521700000000, -0.0000008800000000, -0.0001512200000000 ] - [ -0.0000527500000000, 0.0002394900000000, -0.0007958700000000 ] - [ -0.0000798400000000, 0.0000854100000000, -0.0001993100000000 ] - [ -0.0001919400000000, 0.0004748300000000, -0.0003299800000000 ] - [ -0.0003103500000000, 0.0000225000000000, -0.0000170100000000 ] - [ 0.0002290000000000, -0.0003948500000000, 0.0000906400000000 ] - [ -0.0001636900000000, 0.0001473200000000, -0.0001582100000000 ] - [ 0.0002374100000000, -0.0002410100000000, -0.0001170600000000 ] - [ 0.0003660200000000, 0.0000650700000000, -0.0001101900000000 ] - [ 0.0001980700000000, 0.0004254900000000, 0.0000060600000000 ] - [ -0.0000515200000000, 0.0000876800000000, 0.0000305100000000 ] - [ 0.0003595400000000, -0.0003680000000000, 0.0002629400000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002749900000000, 0.0001809000000000, -0.0002454000000000 ] - [ -0.0001645000000000, -0.0003810600000000, -0.0001278300000000 ] - [ -0.0000640500000000, 0.0001607800000000, 0.0000136900000000 ] - [ 0.0013325100000000, -0.0000089900000000, -0.0006832100000000 ] - [ -0.0002536700000000, -0.0001482600000000, 0.0002466900000000 ] - [ 0.0001558600000000, -0.0001964600000000, -0.0002041000000000 ] - [ -0.0001599500000000, 0.0001615300000000, 0.0002070400000000 ] - [ -0.0000911800000000, 0.0001884300000000, 0.0001760700000000 ] - [ 0.0000026000000000, -0.0000946900000000, -0.0000774300000000 ] - [ -0.0000665200000000, 0.0003529100000000, 0.0005399100000000 ] - [ -0.0000748600000000, 0.0003157700000000, 0.0000847700000000 ] - [ 0.0002527500000000, 0.0017983900000000, -0.0000773600000000 ] - [ -0.0000428600000000, 0.0000160300000000, 0.0001439800000000 ] - [ 0.0002707400000000, -0.0005771000000000, 0.0005389300000000 ] - [ 0.0001306800000000, -0.0001979000000000, -0.0001140200000000 ] - [ -0.0006182300000000, -0.0004801400000000, -0.0007242200000000 ] - [ 0.0002113300000000, 0.0002742700000000, -0.0000523300000000 ] - [ -0.0000168800000000, 0.0000158000000000, 0.0001321500000000 ] - [ -0.0000106800000000, 0.0000678400000000, -0.0000802000000000 ] - [ -0.0000663200000000, -0.0000616000000000, -0.0001688400000000 ] - [ 0.0006442900000000, -0.0000442200000000, -0.0001696800000000 ] - [ -0.0014499400000000, 0.0006170800000000, -0.0019623700000000 ] - [ -0.0146948100000000, -0.0221311600000000, 0.0095083400000000 ] - [ -0.0004029400000000, -0.0000188700000000, -0.0001491600000000 ] - [ 0.0424408700000000, -0.0896301600000000, -0.0207111900000000 ] - [ 0.0001403500000000, -0.0007501900000000, -0.0007119500000000 ] - [ -0.0000118300000000, -0.0000367300000000, -0.0001916000000000 ] - [ 0.0003476100000000, -0.0003534900000000, -0.0001468000000000 ] - [ -0.0000716000000000, -0.0001154800000000, 0.0000727100000000 ] - [ -0.0002184500000000, -0.0005674600000000, -0.0000422400000000 ] - [ -0.0003532100000000, -0.0000293300000000, -0.0001591300000000 ] - [ -0.0017001300000000, 0.0002670000000000, 0.0012864000000000 ] - [ 0.0003113900000000, 0.0003166300000000, 0.0000655200000000 ] - [ -0.0002650500000000, 0.0012216900000000, 0.0004562000000000 ] - [ 0.0001831400000000, -0.0002765000000000, -0.0003419900000000 ] - [ 0.0000975300000000, -0.0000682100000000, -0.0008201800000000 ] - [ 0.0000213800000000, 0.0002472100000000, 0.0002200700000000 ] - [ -0.0001344800000000, -0.0001899800000000, 0.0000501400000000 ] - [ 0.0040191100000000, 0.0004703500000000, -0.0036956000000000 ] - [ -0.0000220000000000, -0.0001141500000000, 0.0000073200000000 ] - [ -0.0007116200000000, -0.0006689200000000, -0.0004426700000000 ] - [ 0.0001618800000000, 0.0002826600000000, -0.0001005900000000 ] - [ 0.0004302300000000, -0.0005724600000000, 0.0001423900000000 ] - [ 0.0000675600000000, 0.0000435400000000, -0.0000731100000000 ] - [ 0.0000923000000000, -0.0002002100000000, 0.0002963100000000 ] - [ 0.0000970700000000, 0.0000083800000000, -0.0000694000000000 ] - [ -0.0006629000000000, 0.0015880400000000, 0.0004366300000000 ] - [ 0.0004930500000000, -0.0009088600000000, -0.0004599700000000 ] - [ 0.0000961700000000, -0.0004403700000000, -0.0000223000000000 ] - [ -0.0002263500000000, 0.0001177600000000, 0.0000293600000000 ] - [ 0.0004176200000000, 0.0000974000000000, 0.0002578900000000 ] - [ -0.0390858900000000, 0.1275825500000000, 0.0161474400000000 ] - [ -0.0002095400000000, 0.0002393000000000, -0.0000204800000000 ] - [ -0.0004321100000000, -0.0003418500000000, -0.0001687800000000 ] - [ 0.0034573900000000, -0.0000972800000000, -0.0025567200000000 ] - [ 0.0000640000000000, -0.0001594500000000, 0.0001201800000000 ] - [ -0.0000852900000000, 0.0001768200000000, 0.0001962600000000 ] - [ 0.0000009100000000, 0.0002535700000000, -0.0000755800000000 ] - [ -0.0001632900000000, -0.0003986200000000, -0.0003194900000000 ] - [ -0.0000996300000000, -0.0000985200000000, -0.0001983000000000 ] - [ -0.0001795900000000, -0.0005691900000000, 0.0001916300000000 ] - [ -0.0000117500000000, -0.0006338600000000, 0.0010690100000000 ] - [ 0.0000593700000000, 0.0001573000000000, 0.0001766500000000 ] - [ -0.0015421200000000, -0.0013495700000000, -0.0008550800000000 ] - [ -0.0000215700000000, 0.0001353900000000, 0.0003725000000000 ] - [ 0.0045336300000000, 0.0007701000000000, -0.0004306500000000 ] - [ -0.0001187700000000, 0.0001248400000000, 0.0002006500000000 ] - [ 0.0000350300000000, 0.0001674000000000, 0.0000963400000000 ] - [ 0.0028534500000000, 0.0000371600000000, -0.0015348600000000 ] - [ 0.0013179000000000, -0.0147918200000000, 0.0021322000000000 ] - [ -0.0002079600000000, -0.0003326200000000, 0.0007652800000000 ] - [ -0.0003325200000000, -0.0004546200000000, 0.0004724100000000 ] - [ -0.0001266000000000, -0.0000431000000000, 0.0002830700000000 ] - [ 0.0001959100000000, -0.0004414500000000, 0.0012536200000000 ] - [ -0.0000742700000000, 0.0002214900000000, -0.0002096200000000 ] - [ 0.0001103700000000, -0.0000437200000000, 0.0005124900000000 ] - [ -0.0002633500000000, -0.0000449000000000, 0.0000215200000000 ] - [ 0.0001295800000000, 0.0002744200000000, 0.0001608000000000 ] - [ -0.0001977600000000, -0.0000239700000000, -0.0000918100000000 ] - [ 0.0001761700000000, -0.0000930600000000, -0.0000347800000000 ] - [ 0.0002066800000000, -0.0000442900000000, 0.0001075400000000 ] - [ -0.0002160200000000, -0.0002669900000000, 0.0000118200000000 ] - [ 0.0000888800000000, 0.0000488300000000, 0.0001312200000000 ] - [ 0.0000007700000000, 0.0004922800000000, -0.0000141000000000 ]- atom: 52 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0002145200000000, 0.0001567800000000, -0.0004182400000000 ] - [ 0.0004158100000000, -0.0000625600000000, 0.0004035400000000 ] - [ 0.0002000800000000, 0.0000665900000000, -0.0001098100000000 ] - [ 0.0001055500000000, 0.0006563500000000, 0.0007263100000000 ] - [ -0.0002216400000000, -0.0000214800000000, -0.0003380300000000 ] - [ 0.0000993100000000, -0.0001920100000000, -0.0004292800000000 ] - [ 0.0001259900000000, 0.0003136700000000, -0.0004007200000000 ] - [ -0.0001478500000000, -0.0000218300000000, -0.0003080200000000 ] - [ 0.0000462600000000, -0.0000974300000000, -0.0000582000000000 ] - [ -0.0012507500000000, -0.0004978400000000, 0.0000620500000000 ] - [ 0.0003405400000000, -0.0000131000000000, 0.0005586400000000 ] - [ -0.0000795000000000, 0.0000189900000000, 0.0000278500000000 ] - [ -0.0000195800000000, -0.0000255300000000, -0.0000000100000000 ] - [ 0.0010014100000000, 0.0003269300000000, 0.0020982600000000 ] - [ 0.0001138300000000, -0.0002585500000000, -0.0003680800000000 ] - [ -0.0004184500000000, -0.0000049200000000, 0.0026204800000000 ] - [ 0.0009193300000000, -0.0007992000000000, 0.0004665500000000 ] - [ 0.0000279000000000, -0.0000070300000000, 0.0001742300000000 ] - [ -0.0000542400000000, 0.0000980000000000, -0.0002560100000000 ] - [ 0.0002490600000000, -0.0000143800000000, -0.0003721000000000 ] - [ 0.0009502300000000, -0.0001982600000000, -0.0007263700000000 ] - [ -0.0009885100000000, -0.0004684400000000, 0.0016024400000000 ] - [ -0.0123447100000000, -0.0094373900000000, 0.0107120600000000 ] - [ -0.0004615400000000, 0.0003773700000000, -0.0009854500000000 ] - [ -0.0216366300000000, 0.0237102800000000, 0.0277737600000000 ] - [ -0.0004953600000000, -0.0002180200000000, 0.0002240500000000 ] - [ 0.0007715100000000, 0.0006284000000000, -0.0002883600000000 ] - [ 0.0000436100000000, -0.0004764700000000, 0.0002302100000000 ] - [ -0.0000293900000000, 0.0000201200000000, -0.0002868800000000 ] - [ -0.0008653600000000, -0.0006301400000000, -0.0004466900000000 ] - [ -0.0002888900000000, 0.0011977100000000, -0.0003741900000000 ] - [ -0.0004061100000000, -0.0002504800000000, -0.0005060900000000 ] - [ 0.0002684200000000, 0.0003681000000000, -0.0002735600000000 ] - [ 0.0000857700000000, -0.0002683600000000, 0.0027567400000000 ] - [ 0.0003169200000000, -0.0002835700000000, -0.0012003000000000 ] - [ -0.0004381900000000, -0.0000557300000000, 0.0000083700000000 ] - [ 0.0001865900000000, 0.0001028200000000, 0.0003073400000000 ] - [ -0.0001757100000000, -0.0002481600000000, 0.0001866700000000 ] - [ -0.0092687200000000, 0.0126701900000000, 0.0108018700000000 ] - [ -0.0000823900000000, -0.0000661600000000, 0.0001633500000000 ] - [ -0.0017942800000000, -0.0021778200000000, -0.0020944200000000 ] - [ 0.0002940200000000, 0.0002422000000000, 0.0000655900000000 ] - [ 0.0002885400000000, 0.0001927200000000, -0.0001621100000000 ] - [ 0.0001023000000000, 0.0001055700000000, 0.0002516900000000 ] - [ 0.0001030700000000, -0.0002518000000000, 0.0006153400000000 ] - [ -0.0005056000000000, -0.0002310000000000, -0.0003236200000000 ] - [ -0.0006683400000000, 0.0002300100000000, 0.0005194300000000 ] - [ -0.0002030100000000, 0.0005679500000000, 0.0001996000000000 ] - [ -0.0001403000000000, 0.0000896000000000, -0.0002147600000000 ] - [ -0.0002905000000000, 0.0001455000000000, 0.0003510800000000 ] - [ 0.0005455900000000, -0.0000010400000000, 0.0000184000000000 ] - [ 0.0457478600000000, -0.0252758000000000, -0.0494538100000000 ] - [ 0.0003099800000000, 0.0000126700000000, 0.0003945500000000 ] - [ -0.0000067400000000, 0.0002233500000000, -0.0005656500000000 ] - [ -0.0024571400000000, 0.0018849100000000, 0.0004287200000000 ] - [ 0.0001407400000000, -0.0001700500000000, 0.0002852800000000 ] - [ 0.0001797800000000, -0.0002095700000000, -0.0007049800000000 ] - [ -0.0000594300000000, 0.0002385900000000, 0.0001916800000000 ] - [ 0.0000559700000000, -0.0002053500000000, -0.0008388400000000 ] - [ -0.0001594300000000, -0.0000212700000000, 0.0000779800000000 ] - [ -0.0000751100000000, -0.0000534400000000, -0.0001537400000000 ] - [ 0.0004383900000000, -0.0016808400000000, 0.0018379100000000 ] - [ -0.0000200500000000, 0.0001498200000000, 0.0008354100000000 ] - [ 0.0002434100000000, 0.0013454800000000, -0.0025416200000000 ] - [ 0.0000094800000000, 0.0001577200000000, 0.0004793300000000 ] - [ 0.0007822400000000, 0.0016335700000000, -0.0041730000000000 ] - [ -0.0001319900000000, -0.0001433500000000, 0.0007316400000000 ] - [ 0.0000132100000000, 0.0000568600000000, -0.0001495100000000 ] - [ -0.0013751700000000, 0.0017779400000000, 0.0012954900000000 ] - [ 0.0016610300000000, -0.0021199100000000, -0.0042384400000000 ] - [ -0.0000188000000000, -0.0002858500000000, 0.0001550600000000 ] - [ -0.0001938000000000, 0.0002162900000000, 0.0004379900000000 ] - [ 0.0000408100000000, 0.0000602000000000, 0.0003340100000000 ] - [ -0.0000092400000000, -0.0022028200000000, 0.0009228000000000 ] - [ -0.0002451400000000, 0.0001369800000000, -0.0001016000000000 ] - [ 0.0005905800000000, -0.0001671200000000, -0.0001813400000000 ] - [ -0.0002803800000000, -0.0000541900000000, 0.0003929700000000 ] - [ -0.0001809700000000, -0.0004174800000000, 0.0002643400000000 ] - [ -0.0002899300000000, -0.0000947300000000, 0.0001607900000000 ] - [ 0.0002724300000000, -0.0001401400000000, 0.0003875300000000 ] - [ 0.0000199500000000, 0.0000188800000000, 0.0001598800000000 ] - [ 0.0000140600000000, 0.0003445900000000, -0.0002680500000000 ] - [ 0.0000798300000000, 0.0000290400000000, 0.0003315500000000 ] - [ 0.0003629300000000, -0.0000521300000000, 0.0002810500000000 ]- atom: 52 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0004099900000000, 0.0000045200000000, 0.0000974000000000 ] - [ -0.0004201900000000, -0.0001046400000000, -0.0004920400000000 ] - [ -0.0002028500000000, 0.0000969700000000, 0.0001961400000000 ] - [ 0.0002337800000000, -0.0004454000000000, -0.0009441100000000 ] - [ -0.0004021200000000, 0.0001862400000000, 0.0006563600000000 ] - [ 0.0002717700000000, -0.0000249400000000, 0.0002006100000000 ] - [ -0.0003711200000000, 0.0001138500000000, 0.0005540600000000 ] - [ -0.0002222600000000, -0.0001991700000000, 0.0005359500000000 ] - [ -0.0000197400000000, 0.0000948300000000, -0.0003041000000000 ] - [ 0.0008781200000000, 0.0007145800000000, 0.0001687500000000 ] - [ -0.0003701700000000, 0.0000140900000000, -0.0001979100000000 ] - [ 0.0003252700000000, 0.0004216400000000, -0.0001833200000000 ] - [ -0.0000065300000000, 0.0000276900000000, 0.0003614500000000 ] - [ -0.0012960900000000, -0.0007808400000000, -0.0019888500000000 ] - [ 0.0001310100000000, -0.0001683800000000, 0.0002122100000000 ] - [ -0.0001582700000000, -0.0001783500000000, -0.0021946900000000 ] - [ -0.0002947300000000, 0.0006361300000000, -0.0007829100000000 ] - [ -0.0000283600000000, -0.0001559100000000, -0.0000878000000000 ] - [ 0.0000553500000000, 0.0000653200000000, 0.0001680400000000 ] - [ -0.0002237300000000, 0.0000159300000000, 0.0000097200000000 ] - [ -0.0000293300000000, -0.0000007500000000, 0.0006616500000000 ] - [ 0.0019194600000000, 0.0006771300000000, -0.0016950600000000 ] - [ 0.0117601700000000, 0.0094819600000000, -0.0107647900000000 ] - [ -0.0004609100000000, -0.0001815700000000, 0.0010475600000000 ] - [ 0.0217238200000000, -0.0226994000000000, -0.0286681500000000 ] - [ 0.0005859500000000, -0.0002371700000000, -0.0005980300000000 ] - [ -0.0006858500000000, -0.0001722700000000, -0.0000782000000000 ] - [ 0.0006145000000000, -0.0001887500000000, -0.0002527600000000 ] - [ -0.0000581900000000, -0.0004792500000000, 0.0006514800000000 ] - [ 0.0002123000000000, -0.0000343300000000, 0.0004625100000000 ] - [ -0.0000985100000000, -0.0016994000000000, 0.0011717500000000 ] - [ -0.0002152100000000, 0.0009169800000000, 0.0005973900000000 ] - [ 0.0003838400000000, 0.0002965800000000, 0.0002529500000000 ] - [ -0.0001666500000000, 0.0007413400000000, -0.0024138200000000 ] - [ 0.0000661600000000, -0.0002083400000000, 0.0003923800000000 ] - [ 0.0000523100000000, 0.0005487700000000, 0.0008064700000000 ] - [ -0.0001848000000000, 0.0000583300000000, -0.0003212700000000 ] - [ -0.0000853000000000, -0.0000895300000000, -0.0000978000000000 ] - [ 0.0092380000000000, -0.0128200200000000, -0.0101485000000000 ] - [ 0.0000804800000000, -0.0000932600000000, -0.0001481000000000 ] - [ 0.0019504600000000, 0.0024897300000000, 0.0025198700000000 ] - [ -0.0000335800000000, 0.0000934900000000, -0.0001531400000000 ] - [ -0.0000860100000000, 0.0000113300000000, 0.0003306400000000 ] - [ 0.0000524000000000, -0.0000767200000000, -0.0004047000000000 ] - [ 0.0000357600000000, -0.0000378900000000, -0.0002058400000000 ] - [ 0.0004864500000000, 0.0001007900000000, 0.0001707500000000 ] - [ 0.0006589900000000, -0.0003928500000000, -0.0005480000000000 ] - [ 0.0004602600000000, -0.0009095200000000, -0.0002978300000000 ] - [ -0.0001197800000000, 0.0002466900000000, 0.0003043300000000 ] - [ -0.0001161100000000, 0.0002025000000000, -0.0001930800000000 ] - [ 0.0000206600000000, -0.0000220300000000, -0.0000022200000000 ] - [ -0.0456394800000000, 0.0240133400000000, 0.0492018500000000 ] - [ -0.0005108300000000, 0.0001901900000000, -0.0005610100000000 ] - [ 0.0000219500000000, -0.0003576200000000, 0.0007207000000000 ] - [ 0.0029486900000000, -0.0015547700000000, -0.0006063700000000 ] - [ 0.0000626100000000, -0.0000336800000000, -0.0001185900000000 ] - [ -0.0003209200000000, -0.0000811200000000, 0.0003015500000000 ] - [ 0.0001801300000000, 0.0002059500000000, -0.0003919000000000 ] - [ -0.0004008000000000, 0.0000587800000000, 0.0005869000000000 ] - [ 0.0000324800000000, -0.0001871100000000, -0.0005511200000000 ] - [ -0.0003336200000000, -0.0002949500000000, 0.0003139500000000 ] - [ -0.0005966200000000, 0.0017135700000000, -0.0016913800000000 ] - [ 0.0001321200000000, 0.0001846700000000, -0.0003842300000000 ] - [ -0.0008242800000000, -0.0013433800000000, 0.0025470500000000 ] - [ 0.0001189200000000, 0.0000504800000000, -0.0000067000000000 ] - [ -0.0005646800000000, -0.0017092400000000, 0.0040157900000000 ] - [ 0.0000235600000000, 0.0004831100000000, -0.0011923100000000 ] - [ -0.0000308800000000, 0.0000721700000000, -0.0000010300000000 ] - [ 0.0011476600000000, -0.0019906700000000, -0.0014616500000000 ] - [ -0.0017932400000000, 0.0022752900000000, 0.0037749600000000 ] - [ -0.0000921700000000, -0.0000474700000000, -0.0006135000000000 ] - [ 0.0000755100000000, -0.0006588800000000, -0.0002398300000000 ] - [ -0.0001946300000000, -0.0000887200000000, -0.0001807200000000 ] - [ 0.0001496400000000, 0.0020251100000000, -0.0004578200000000 ] - [ 0.0001050800000000, 0.0001534500000000, -0.0003066100000000 ] - [ -0.0007149200000000, 0.0006149300000000, 0.0003862200000000 ] - [ -0.0002881600000000, 0.0000321400000000, -0.0004055100000000 ] - [ 0.0005259100000000, 0.0002749700000000, -0.0000110200000000 ] - [ -0.0000528300000000, 0.0002406900000000, -0.0004160400000000 ] - [ 0.0001348300000000, -0.0002075700000000, -0.0005454800000000 ] - [ 0.0005491400000000, 0.0000015100000000, -0.0001470800000000 ] - [ -0.0000179800000000, -0.0001906200000000, 0.0002839100000000 ] - [ -0.0000615000000000, 0.0001017700000000, -0.0001792500000000 ] - [ -0.0000215400000000, 0.0001969100000000, -0.0000271000000000 ]- atom: 59 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ 0.0002939300000000, 0.0000547800000000, -0.0001966100000000 ] - [ 0.0001779000000000, 0.0007449800000000, 0.0005908200000000 ] - [ -0.0000328100000000, 0.0000552400000000, 0.0002136300000000 ] - [ -0.0001343300000000, 0.0001237900000000, -0.0001324000000000 ] - [ -0.0003093500000000, 0.0001084000000000, 0.0002422600000000 ] - [ 0.0001570600000000, -0.0000703200000000, -0.0001429400000000 ] - [ -0.0003581000000000, 0.0002510000000000, -0.0000061200000000 ] - [ -0.0001705500000000, -0.0001418800000000, 0.0001117200000000 ] - [ 0.0004743100000000, 0.0005423900000000, -0.0011013400000000 ] - [ 0.0049763000000000, 0.0040115000000000, -0.0041087100000000 ] - [ 0.0036345400000000, -0.0001087200000000, -0.0010978300000000 ] - [ 0.0012165600000000, -0.0005010800000000, 0.0019400100000000 ] - [ 0.0000970700000000, 0.0000160000000000, 0.0002013000000000 ] - [ -0.0002121300000000, -0.0002313100000000, 0.0000396300000000 ] - [ 0.0000492000000000, -0.0002100800000000, 0.0001213500000000 ] - [ -0.0005863500000000, 0.0004720600000000, 0.0002963000000000 ] - [ -0.0005290900000000, -0.0001987500000000, -0.0002068500000000 ] - [ 0.0024823900000000, -0.0005850600000000, 0.0017631600000000 ] - [ 0.0000927800000000, 0.0000867400000000, -0.0000317800000000 ] - [ 0.0000004500000000, 0.0000041000000000, -0.0000776200000000 ] - [ -0.0005250500000000, -0.0002577000000000, -0.0002259400000000 ] - [ -0.0001558200000000, 0.0004098900000000, -0.0003778200000000 ] - [ 0.0017266800000000, 0.0014479800000000, -0.0007942400000000 ] - [ -0.0005117200000000, 0.0001980900000000, 0.0006312000000000 ] - [ -0.0001545700000000, -0.0005067900000000, -0.0004651500000000 ] - [ 0.0001435900000000, -0.0002370600000000, -0.0001213800000000 ] - [ 0.0006461100000000, 0.0008747800000000, -0.0002840800000000 ] - [ -0.0004330500000000, -0.0002857700000000, 0.0000064500000000 ] - [ 0.0000106700000000, -0.0002922600000000, 0.0003972200000000 ] - [ -0.0002372600000000, -0.0005146800000000, 0.0002108000000000 ] - [ 0.0004042900000000, -0.0002655600000000, 0.0003436300000000 ] - [ 0.0004334600000000, 0.0005793000000000, -0.0011200800000000 ] - [ 0.0003737500000000, 0.0004365300000000, -0.0005302100000000 ] - [ 0.0470765300000000, -0.0478741200000000, -0.0139798700000000 ] - [ -0.0000491800000000, -0.0002710600000000, -0.0003741500000000 ] - [ -0.0007964100000000, 0.0002357200000000, 0.0012852200000000 ] - [ -0.0001806600000000, 0.0000847900000000, -0.0000089400000000 ] - [ -0.0001522200000000, -0.0002033700000000, 0.0002024700000000 ] - [ 0.0003074200000000, 0.0001111500000000, 0.0007249300000000 ] - [ 0.0000538100000000, -0.0000398900000000, 0.0002046900000000 ] - [ -0.0028009600000000, -0.0047069800000000, -0.0042447800000000 ] - [ -0.0001436500000000, 0.0003543500000000, -0.0002407300000000 ] - [ 0.0005768500000000, 0.0000553100000000, 0.0002075700000000 ] - [ 0.0002164100000000, 0.0000422900000000, -0.0000447600000000 ] - [ 0.0000197100000000, -0.0000947500000000, 0.0000383400000000 ] - [ -0.0002496300000000, 0.0001951300000000, -0.0000145300000000 ] - [ -0.0005232600000000, -0.0007828500000000, 0.0001765000000000 ] - [ -0.0002576600000000, -0.0001282800000000, 0.0001364000000000 ] - [ 0.0003393400000000, 0.0001015700000000, -0.0001591000000000 ] - [ -0.0001375400000000, 0.0003463800000000, 0.0005018100000000 ] - [ 0.0002798700000000, -0.0000025200000000, 0.0000136400000000 ] - [ -0.0003005600000000, -0.0002508300000000, 0.0000595000000000 ] - [ -0.0002056200000000, 0.0003562500000000, -0.0004076000000000 ] - [ 0.0116777300000000, -0.0142516300000000, 0.0011743800000000 ] - [ -0.0000623600000000, -0.0002212300000000, 0.0007898200000000 ] - [ 0.0003450500000000, -0.0000655000000000, 0.0002818300000000 ] - [ -0.0000514500000000, -0.0001225100000000, -0.0002229600000000 ] - [ 0.0002275400000000, 0.0002178200000000, -0.0001875100000000 ] - [ -0.0669366600000000, 0.0583171500000000, 0.0184400200000000 ] - [ 0.0001120300000000, -0.0000994600000000, -0.0002953800000000 ] - [ -0.0000082700000000, -0.0001878200000000, -0.0000462600000000 ] - [ -0.0004954400000000, 0.0000239700000000, 0.0002404900000000 ] - [ 0.0001235900000000, 0.0001786400000000, 0.0002031100000000 ] - [ -0.0036389500000000, 0.0033541500000000, 0.0007528600000000 ] - [ 0.0005343800000000, -0.0001274700000000, -0.0001390000000000 ] - [ 0.0006254800000000, 0.0001002600000000, 0.0001194600000000 ] - [ -0.0002027300000000, 0.0001727000000000, -0.0003851300000000 ] - [ -0.0000270300000000, 0.0000638400000000, -0.0000888600000000 ] - [ -0.0003060700000000, -0.0003696100000000, 0.0000428300000000 ] - [ 0.0003073000000000, 0.0009444700000000, -0.0001708300000000 ] - [ 0.0002688300000000, -0.0002909200000000, -0.0008956400000000 ] - [ 0.0004407100000000, -0.0002843300000000, -0.0001559300000000 ] - [ 0.0003619000000000, -0.0003098900000000, -0.0003085100000000 ] - [ -0.0001094800000000, -0.0001212000000000, 0.0003895300000000 ] - [ -0.0000038000000000, -0.0000328900000000, 0.0000636600000000 ] - [ -0.0001095000000000, 0.0004124000000000, 0.0002844300000000 ] - [ -0.0003026900000000, 0.0000156300000000, -0.0001430800000000 ] - [ 0.0000566700000000, -0.0009637900000000, 0.0003941900000000 ] - [ -0.0001762100000000, 0.0001138800000000, -0.0002100100000000 ] - [ 0.0001976100000000, -0.0001736000000000, -0.0002623700000000 ] - [ 0.0004673600000000, -0.0001840400000000, 0.0002582700000000 ] - [ 0.0005046100000000, 0.0002237500000000, -0.0001547900000000 ] - [ -0.0000958800000000, 0.0000703400000000, -0.0000359300000000 ] - [ 0.0001623100000000, 0.0000580600000000, 0.0001023000000000 ]- atom: 59 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0003211600000000, 0.0001140800000000, -0.0001205200000000 ] - [ -0.0001678100000000, -0.0009030500000000, -0.0006787900000000 ] - [ 0.0000264000000000, 0.0001049300000000, -0.0001251500000000 ] - [ 0.0005049500000000, 0.0000940500000000, -0.0000982900000000 ] - [ -0.0003049000000000, 0.0000603400000000, 0.0000737900000000 ] - [ 0.0002125100000000, -0.0001470000000000, -0.0000869700000000 ] - [ 0.0001150600000000, 0.0001829400000000, 0.0001583800000000 ] - [ -0.0001985300000000, -0.0000753100000000, 0.0001177100000000 ] - [ -0.0004447800000000, -0.0005441800000000, 0.0007410100000000 ] - [ -0.0054759300000000, -0.0039160200000000, 0.0044842700000000 ] - [ -0.0035345500000000, 0.0001467200000000, 0.0013760800000000 ] - [ -0.0009720700000000, 0.0009519500000000, -0.0021203200000000 ] - [ -0.0001239200000000, -0.0000141400000000, 0.0001593400000000 ] - [ -0.0000324200000000, -0.0002021200000000, 0.0001128300000000 ] - [ 0.0001955400000000, -0.0002236300000000, -0.0002753900000000 ] - [ -0.0000231300000000, -0.0006588100000000, 0.0000172900000000 ] - [ 0.0011448900000000, 0.0000286000000000, -0.0001103700000000 ] - [ -0.0024690600000000, 0.0004325200000000, -0.0016128500000000 ] - [ -0.0000848400000000, 0.0000735400000000, -0.0000586400000000 ] - [ 0.0000279700000000, -0.0000020500000000, -0.0002834100000000 ] - [ 0.0014502600000000, 0.0000586800000000, 0.0001571800000000 ] - [ 0.0010783100000000, -0.0002153300000000, 0.0003123800000000 ] - [ -0.0026662500000000, -0.0016493100000000, 0.0008412900000000 ] - [ -0.0004065800000000, -0.0000037400000000, -0.0005685600000000 ] - [ 0.0005339200000000, 0.0010049100000000, -0.0003521300000000 ] - [ -0.0000557400000000, -0.0002038900000000, -0.0002348000000000 ] - [ -0.0005388100000000, -0.0004351600000000, -0.0000639700000000 ] - [ 0.0010896300000000, -0.0003702800000000, -0.0000179000000000 ] - [ -0.0000972700000000, -0.0001501700000000, -0.0000426400000000 ] - [ -0.0004193400000000, -0.0001437000000000, -0.0002023900000000 ] - [ -0.0007891100000000, -0.0002249900000000, 0.0004700700000000 ] - [ -0.0010897900000000, 0.0000816500000000, 0.0011350600000000 ] - [ 0.0002798100000000, 0.0002177900000000, 0.0005183600000000 ] - [ -0.0469880800000000, 0.0470388200000000, 0.0138972100000000 ] - [ 0.0004308200000000, -0.0002210100000000, -0.0004409800000000 ] - [ 0.0004229000000000, 0.0002555100000000, -0.0004660000000000 ] - [ 0.0001951600000000, 0.0000838600000000, -0.0000076600000000 ] - [ -0.0001111000000000, -0.0001440700000000, -0.0001147000000000 ] - [ -0.0001922100000000, -0.0004480300000000, -0.0002801800000000 ] - [ -0.0000680400000000, -0.0001262000000000, -0.0001868000000000 ] - [ 0.0029250900000000, 0.0050154000000000, 0.0046570800000000 ] - [ 0.0004112700000000, -0.0000047600000000, 0.0001537300000000 ] - [ -0.0003790200000000, 0.0001602900000000, -0.0000371500000000 ] - [ -0.0000436600000000, 0.0000029100000000, -0.0000843400000000 ] - [ 0.0001359900000000, -0.0002139700000000, 0.0003741100000000 ] - [ 0.0001939100000000, -0.0003295100000000, -0.0001586600000000 ] - [ 0.0005398600000000, 0.0006205300000000, -0.0001958500000000 ] - [ 0.0005227000000000, -0.0002186600000000, -0.0002227500000000 ] - [ -0.0006036800000000, 0.0002481500000000, 0.0002478600000000 ] - [ -0.0002791200000000, -0.0000123100000000, -0.0003499600000000 ] - [ 0.0002910400000000, -0.0000220500000000, -0.0000203800000000 ] - [ 0.0003956900000000, -0.0001911600000000, -0.0002466700000000 ] - [ 0.0000087900000000, -0.0001436300000000, 0.0002409800000000 ] - [ -0.0114532700000000, 0.0139037600000000, -0.0009549800000000 ] - [ 0.0004793900000000, 0.0005548700000000, -0.0009427100000000 ] - [ -0.0001443400000000, -0.0001489700000000, -0.0001106100000000 ] - [ -0.0001039500000000, -0.0001869300000000, -0.0001884500000000 ] - [ -0.0001387100000000, 0.0002256600000000, 0.0000013700000000 ] - [ 0.0662084900000000, -0.0569295800000000, -0.0183957400000000 ] - [ -0.0002535100000000, -0.0000942100000000, -0.0001609600000000 ] - [ -0.0004072600000000, -0.0001450100000000, 0.0001983600000000 ] - [ 0.0003245600000000, 0.0000189700000000, -0.0001100500000000 ] - [ -0.0000089300000000, 0.0001566800000000, 0.0002438400000000 ] - [ 0.0030679000000000, -0.0032654000000000, -0.0007215300000000 ] - [ -0.0003948900000000, 0.0003228600000000, 0.0005972900000000 ] - [ -0.0004556000000000, -0.0001469000000000, -0.0002508300000000 ] - [ 0.0000894500000000, 0.0001627400000000, -0.0000604800000000 ] - [ -0.0000119400000000, 0.0000698000000000, -0.0000745600000000 ] - [ 0.0001104800000000, 0.0001572700000000, -0.0002119400000000 ] - [ -0.0004511100000000, -0.0007596800000000, -0.0002868600000000 ] - [ -0.0003783400000000, -0.0000472800000000, 0.0004446700000000 ] - [ -0.0005322000000000, -0.0001573800000000, 0.0003427700000000 ] - [ -0.0005393300000000, 0.0002670400000000, 0.0004423800000000 ] - [ 0.0002549100000000, -0.0000729700000000, 0.0000653600000000 ] - [ -0.0001549100000000, 0.0003428300000000, -0.0004777800000000 ] - [ 0.0000221100000000, 0.0000280500000000, -0.0000992300000000 ] - [ -0.0002678200000000, -0.0000397400000000, 0.0001515100000000 ] - [ 0.0002947700000000, 0.0008380800000000, -0.0001467600000000 ] - [ -0.0001831900000000, 0.0000074000000000, -0.0000375800000000 ] - [ 0.0002193000000000, -0.0001586700000000, 0.0001102700000000 ] - [ 0.0001015800000000, 0.0002067800000000, -0.0002666400000000 ] - [ -0.0005209000000000, -0.0000558300000000, 0.0001741500000000 ] - [ 0.0001357000000000, 0.0000638600000000, 0.0001999400000000 ] - [ 0.0001976800000000, 0.0000619900000000, 0.0001449400000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002941800000000, 0.0001324500000000, -0.0002975000000000 ] - [ 0.0003898400000000, -0.0010387800000000, -0.0001716500000000 ] - [ 0.0001391600000000, 0.0001665900000000, -0.0002178200000000 ] - [ 0.0002087300000000, -0.0001245700000000, 0.0001235700000000 ] - [ -0.0003061400000000, 0.0000151000000000, -0.0000743400000000 ] - [ 0.0001894100000000, -0.0001621900000000, -0.0002578000000000 ] - [ -0.0000791800000000, 0.0001453600000000, 0.0000860300000000 ] - [ -0.0002104800000000, -0.0000439800000000, -0.0000096800000000 ] - [ 0.0001586400000000, -0.0005290300000000, 0.0006130700000000 ] - [ 0.0042583200000000, 0.0048661500000000, -0.0031884200000000 ] - [ -0.0002144000000000, 0.0009228000000000, 0.0005539200000000 ] - [ -0.0003124200000000, 0.0009254200000000, -0.0001335900000000 ] - [ -0.0000164100000000, 0.0000467200000000, 0.0000667700000000 ] - [ -0.0001746500000000, -0.0003224800000000, 0.0000330400000000 ] - [ 0.0001122900000000, -0.0001339100000000, -0.0002049900000000 ] - [ -0.0003044100000000, -0.0020720100000000, 0.0004726800000000 ] - [ 0.0007590200000000, 0.0002564000000000, 0.0000451100000000 ] - [ -0.0010131200000000, 0.0008996900000000, -0.0006334900000000 ] - [ -0.0000203200000000, 0.0000413700000000, -0.0001599100000000 ] - [ 0.0000930500000000, -0.0000478600000000, -0.0002867500000000 ] - [ 0.0007380200000000, 0.0001532800000000, -0.0003092700000000 ] - [ 0.0002680500000000, 0.0004632700000000, -0.0003117000000000 ] - [ -0.0033065100000000, -0.0018007200000000, -0.0046894200000000 ] - [ -0.0005888900000000, -0.0004409000000000, -0.0006820700000000 ] - [ -0.0004184100000000, 0.0005430300000000, -0.0001575400000000 ] - [ -0.0000065100000000, -0.0003233400000000, -0.0004058300000000 ] - [ -0.0019122700000000, 0.0002066200000000, -0.0009072600000000 ] - [ 0.0005299900000000, 0.0000814300000000, 0.0001777600000000 ] - [ -0.0000543800000000, -0.0000624400000000, -0.0002287800000000 ] - [ -0.0002376700000000, -0.0005739000000000, 0.0000189800000000 ] - [ -0.0009712200000000, 0.0001276800000000, -0.0000380800000000 ] - [ -0.0006685900000000, 0.0004253400000000, 0.0005757900000000 ] - [ 0.0001483200000000, 0.0005604500000000, 0.0001857400000000 ] - [ -0.0467511300000000, 0.1059878900000000, 0.0260564800000000 ] - [ 0.0002141400000000, -0.0003366200000000, -0.0007683000000000 ] - [ 0.0002616800000000, 0.0004198600000000, -0.0011008400000000 ] - [ 0.0000050800000000, 0.0003101000000000, -0.0000609300000000 ] - [ -0.0001751100000000, -0.0002847900000000, 0.0000377300000000 ] - [ 0.0003288000000000, -0.0002435300000000, -0.0001849400000000 ] - [ 0.0001582600000000, -0.0002520300000000, 0.0001539700000000 ] - [ -0.0023188900000000, 0.0026298500000000, 0.0066281800000000 ] - [ 0.0002053100000000, 0.0001461700000000, -0.0002045000000000 ] - [ -0.0001657300000000, 0.0000120000000000, -0.0000692700000000 ] - [ 0.0001101600000000, 0.0000640400000000, 0.0000600600000000 ] - [ 0.0000674800000000, -0.0002113400000000, 0.0005359300000000 ] - [ 0.0014726100000000, 0.0002564200000000, 0.0007002000000000 ] - [ 0.0003577000000000, 0.0008182500000000, -0.0002598700000000 ] - [ -0.0000633600000000, 0.0006376700000000, 0.0000904600000000 ] - [ 0.0000987800000000, 0.0001483600000000, -0.0001614100000000 ] - [ -0.0000879200000000, -0.0000601000000000, -0.0000646100000000 ] - [ 0.0003237900000000, -0.0000371300000000, 0.0001704000000000 ] - [ 0.0009466900000000, 0.0001233600000000, -0.0000482300000000 ] - [ -0.0000984700000000, 0.0001781100000000, -0.0000903900000000 ] - [ -0.0095427300000000, 0.0036296900000000, 0.0001550600000000 ] - [ -0.0000532500000000, 0.0015047600000000, 0.0000468200000000 ] - [ 0.0000761000000000, -0.0002208100000000, 0.0000805800000000 ] - [ -0.0000906900000000, -0.0001084500000000, -0.0000354200000000 ] - [ 0.0000002800000000, 0.0002963200000000, 0.0000592000000000 ] - [ 0.0557915700000000, -0.1330911000000000, -0.0308809800000000 ] - [ -0.0001160800000000, -0.0000420500000000, -0.0000774800000000 ] - [ -0.0002408600000000, -0.0003135300000000, 0.0000714600000000 ] - [ 0.0003670500000000, -0.0003722300000000, 0.0003125600000000 ] - [ 0.0000332700000000, 0.0001824500000000, 0.0005179100000000 ] - [ 0.0004249400000000, 0.0138044700000000, 0.0045628300000000 ] - [ -0.0002778300000000, 0.0004562100000000, 0.0007271600000000 ] - [ 0.0002132500000000, -0.0000780800000000, -0.0000793800000000 ] - [ 0.0001095300000000, 0.0001079600000000, 0.0001985400000000 ] - [ 0.0000343200000000, 0.0000831400000000, 0.0000571400000000 ] - [ 0.0000782700000000, 0.0005188200000000, 0.0000569300000000 ] - [ 0.0006216400000000, -0.0002499400000000, 0.0000329500000000 ] - [ -0.0007938000000000, -0.0000262100000000, 0.0010598900000000 ] - [ -0.0003312500000000, -0.0005475700000000, 0.0003983100000000 ] - [ -0.0006207000000000, 0.0002512700000000, 0.0005858500000000 ] - [ 0.0004284400000000, -0.0002587000000000, 0.0004489200000000 ] - [ 0.0001584400000000, 0.0002292800000000, -0.0000613200000000 ] - [ -0.0000035200000000, -0.0002191200000000, -0.0000156800000000 ] - [ -0.0002794400000000, -0.0000075400000000, 0.0002327700000000 ] - [ 0.0010644100000000, 0.0010564400000000, -0.0000561500000000 ] - [ -0.0002137100000000, -0.0000424400000000, 0.0000493500000000 ] - [ 0.0002134100000000, -0.0000516900000000, 0.0000400200000000 ] - [ 0.0004417500000000, 0.0000709200000000, 0.0000097200000000 ] - [ -0.0001252800000000, -0.0003535600000000, -0.0000287400000000 ] - [ 0.0001111000000000, 0.0000397800000000, 0.0002884900000000 ] - [ 0.0001604700000000, 0.0001419500000000, 0.0002359900000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003259100000000, 0.0000309500000000, -0.0000212700000000 ] - [ -0.0003902000000000, 0.0008768400000000, 0.0000848900000000 ] - [ -0.0001440200000000, -0.0000042600000000, 0.0003078100000000 ] - [ 0.0001616200000000, 0.0003412200000000, -0.0003536400000000 ] - [ -0.0003136100000000, 0.0001480100000000, 0.0003941900000000 ] - [ 0.0001806500000000, -0.0000554800000000, 0.0000279900000000 ] - [ -0.0001665400000000, 0.0002804800000000, 0.0000696100000000 ] - [ -0.0001592100000000, -0.0001732300000000, 0.0002406600000000 ] - [ -0.0001315100000000, 0.0005220200000000, -0.0009759700000000 ] - [ -0.0047025600000000, -0.0046623400000000, 0.0034736500000000 ] - [ 0.0002038600000000, -0.0009205700000000, -0.0002015200000000 ] - [ 0.0005552900000000, -0.0004957700000000, -0.0000321100000000 ] - [ -0.0000093900000000, -0.0000439800000000, 0.0002963600000000 ] - [ -0.0000701600000000, -0.0001037400000000, 0.0001235200000000 ] - [ 0.0001313700000000, -0.0002920600000000, 0.0000499100000000 ] - [ -0.0003072000000000, 0.0019001100000000, -0.0001626800000000 ] - [ -0.0001420000000000, -0.0004203300000000, -0.0003640500000000 ] - [ 0.0010121300000000, -0.0010515000000000, 0.0007228500000000 ] - [ 0.0000246900000000, 0.0001208900000000, 0.0000712700000000 ] - [ -0.0000672600000000, 0.0000502400000000, -0.0000743100000000 ] - [ 0.0001843800000000, -0.0003482600000000, 0.0002462800000000 ] - [ 0.0006504400000000, -0.0002674300000000, 0.0002488200000000 ] - [ 0.0023945400000000, 0.0015816400000000, 0.0047814700000000 ] - [ -0.0003339400000000, 0.0006308900000000, 0.0007402100000000 ] - [ 0.0008090500000000, -0.0000683100000000, -0.0006544000000000 ] - [ 0.0000957200000000, -0.0001361600000000, 0.0000366100000000 ] - [ 0.0019944300000000, 0.0002588200000000, 0.0005326700000000 ] - [ 0.0001231900000000, -0.0007534400000000, -0.0002020100000000 ] - [ -0.0000324500000000, -0.0004013200000000, 0.0005979300000000 ] - [ -0.0004198300000000, -0.0001076900000000, 0.0000035100000000 ] - [ 0.0005879800000000, -0.0006195400000000, 0.0008503900000000 ] - [ 0.0000095900000000, 0.0002431100000000, -0.0005374800000000 ] - [ 0.0005047000000000, 0.0001050900000000, -0.0002115000000000 ] - [ 0.0496753100000000, -0.1102959500000000, -0.0274534600000000 ] - [ 0.0001688400000000, -0.0001555600000000, -0.0000405600000000 ] - [ -0.0006483600000000, 0.0000729900000000, 0.0018990900000000 ] - [ -0.0000028900000000, -0.0001450500000000, 0.0000467100000000 ] - [ -0.0000848900000000, -0.0000529200000000, 0.0000523300000000 ] - [ -0.0002158900000000, -0.0000847900000000, 0.0006400100000000 ] - [ -0.0001635000000000, 0.0000933500000000, -0.0001369000000000 ] - [ 0.0024990700000000, -0.0023162400000000, -0.0062846900000000 ] - [ 0.0000565200000000, 0.0002004400000000, 0.0001116400000000 ] - [ 0.0003709400000000, 0.0001962300000000, 0.0002394300000000 ] - [ 0.0000453300000000, -0.0000334700000000, -0.0002112000000000 ] - [ 0.0000728800000000, -0.0000780900000000, -0.0001314400000000 ] - [ -0.0014841600000000, -0.0003932500000000, -0.0008449300000000 ] - [ -0.0003496400000000, -0.0009738900000000, 0.0002402200000000 ] - [ 0.0003273000000000, -0.0009821300000000, -0.0001855000000000 ] - [ -0.0003600400000000, 0.0001907400000000, 0.0002522700000000 ] - [ -0.0003195600000000, 0.0004051400000000, 0.0002260500000000 ] - [ 0.0002464100000000, 0.0000173100000000, -0.0001585600000000 ] - [ -0.0008377600000000, -0.0005629300000000, -0.0001524200000000 ] - [ -0.0001045800000000, 0.0000333100000000, -0.0000785800000000 ] - [ 0.0096647600000000, -0.0037565200000000, -0.0000103300000000 ] - [ 0.0004585700000000, -0.0011489400000000, -0.0002172700000000 ] - [ 0.0001298900000000, 0.0000137900000000, 0.0000904500000000 ] - [ -0.0000510200000000, -0.0001824200000000, -0.0003688400000000 ] - [ 0.0001182100000000, 0.0001488900000000, -0.0002590000000000 ] - [ -0.0592309500000000, 0.1380118300000000, 0.0324701900000000 ] - [ -0.0000118100000000, -0.0001667200000000, -0.0003944500000000 ] - [ -0.0001662600000000, -0.0000298600000000, 0.0000884600000000 ] - [ -0.0005219900000000, 0.0004056400000000, -0.0001645800000000 ] - [ 0.0000796100000000, 0.0001516200000000, -0.0000716900000000 ] - [ -0.0010067200000000, -0.0140907900000000, -0.0046536000000000 ] - [ 0.0004072600000000, -0.0002477800000000, -0.0002522800000000 ] - [ -0.0000571100000000, 0.0000504900000000, -0.0000720900000000 ] - [ -0.0002221800000000, 0.0002263300000000, -0.0006454200000000 ] - [ -0.0000522300000000, 0.0000480600000000, -0.0002084800000000 ] - [ -0.0002842600000000, -0.0007298800000000, -0.0002290700000000 ] - [ -0.0007470100000000, 0.0004703800000000, -0.0005043200000000 ] - [ 0.0006760300000000, -0.0003118500000000, -0.0014992200000000 ] - [ 0.0002144900000000, 0.0000982000000000, -0.0001954200000000 ] - [ 0.0004660300000000, -0.0002844500000000, -0.0004302500000000 ] - [ -0.0003006400000000, 0.0000518600000000, 0.0000228300000000 ] - [ -0.0003003500000000, 0.0000584400000000, -0.0003396400000000 ] - [ -0.0001131900000000, 0.0006639800000000, 0.0002153500000000 ] - [ -0.0002918900000000, -0.0000111000000000, -0.0002440700000000 ] - [ -0.0007160700000000, -0.0011967300000000, 0.0003124900000000 ] - [ -0.0001294500000000, 0.0001908100000000, -0.0003069800000000 ] - [ 0.0001955300000000, -0.0002896900000000, -0.0002018000000000 ] - [ 0.0001305300000000, -0.0000545400000000, 0.0000030600000000 ] - [ 0.0001223900000000, 0.0005144400000000, 0.0000454000000000 ] - [ -0.0000938500000000, 0.0000928400000000, -0.0001381400000000 ] - [ 0.0001827600000000, 0.0000035300000000, 0.0000195500000000 ]- atom: 59 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0002581400000000, 0.0001551400000000, -0.0004841900000000 ] - [ 0.0004385700000000, -0.0004378800000000, 0.0006429200000000 ] - [ 0.0002185500000000, 0.0001680600000000, -0.0004147200000000 ] - [ 0.0002175100000000, 0.0000381100000000, 0.0002515300000000 ] - [ -0.0003037700000000, -0.0000148700000000, -0.0003354700000000 ] - [ 0.0001708100000000, -0.0001751300000000, -0.0003937200000000 ] - [ -0.0000803100000000, 0.0002102800000000, 0.0000394100000000 ] - [ -0.0001639800000000, -0.0000269600000000, -0.0003412800000000 ] - [ -0.0001586400000000, 0.0001423000000000, 0.0000097500000000 ] - [ -0.0053863700000000, -0.0037757700000000, 0.0045509500000000 ] - [ -0.0021501100000000, -0.0000424500000000, 0.0022502100000000 ] - [ 0.0022527500000000, -0.0007803200000000, 0.0066778500000000 ] - [ -0.0000389700000000, 0.0000071000000000, -0.0001466900000000 ] - [ -0.0002258500000000, -0.0001858300000000, 0.0000428200000000 ] - [ 0.0002058500000000, -0.0002508600000000, -0.0003985700000000 ] - [ -0.0002082800000000, -0.0006467400000000, 0.0003390000000000 ] - [ 0.0003940200000000, -0.0000384800000000, 0.0002248800000000 ] - [ 0.0008283700000000, -0.0001405500000000, 0.0017019300000000 ] - [ -0.0000654200000000, 0.0000682600000000, -0.0003104600000000 ] - [ 0.0002121200000000, -0.0000328900000000, -0.0004638100000000 ] - [ 0.0005687100000000, -0.0002005100000000, -0.0004071900000000 ] - [ 0.0000872800000000, -0.0000981600000000, 0.0000708600000000 ] - [ -0.0048224400000000, -0.0031842700000000, 0.0007470800000000 ] - [ -0.0003518200000000, 0.0001712200000000, -0.0008945900000000 ] - [ -0.0002975700000000, 0.0000346600000000, 0.0012407000000000 ] - [ -0.0001197200000000, -0.0003967600000000, -0.0004668300000000 ] - [ -0.0003888100000000, 0.0001466800000000, -0.0002840400000000 ] - [ 0.0005838300000000, -0.0003263800000000, -0.0001925900000000 ] - [ -0.0001673900000000, 0.0000356700000000, -0.0004676100000000 ] - [ 0.0001928700000000, 0.0006527300000000, -0.0003765500000000 ] - [ -0.0011035200000000, -0.0004065300000000, -0.0005797200000000 ] - [ -0.0013573800000000, 0.0000688100000000, 0.0015563900000000 ] - [ 0.0001067700000000, 0.0005942000000000, -0.0001544500000000 ] - [ -0.0235969600000000, 0.0364606200000000, 0.0335864900000000 ] - [ 0.0002933600000000, -0.0002756600000000, -0.0011306500000000 ] - [ 0.0000955400000000, 0.0001449000000000, 0.0000404000000000 ] - [ -0.0000306700000000, -0.0000745800000000, 0.0000667900000000 ] - [ -0.0001205500000000, -0.0002944700000000, 0.0001706600000000 ] - [ 0.0000867300000000, -0.0004308500000000, -0.0009801900000000 ] - [ 0.0002155700000000, -0.0002010700000000, 0.0003155700000000 ] - [ -0.0033378500000000, 0.0130892200000000, 0.0097521100000000 ] - [ -0.0001432300000000, -0.0006955200000000, 0.0003294600000000 ] - [ -0.0000286500000000, 0.0000419300000000, -0.0000084000000000 ] - [ 0.0000926500000000, 0.0000979600000000, 0.0001967700000000 ] - [ 0.0000921100000000, -0.0002467700000000, 0.0007367100000000 ] - [ 0.0004546600000000, 0.0000687200000000, -0.0001835500000000 ] - [ 0.0006008600000000, 0.0011974500000000, -0.0002316400000000 ] - [ 0.0002108500000000, -0.0000154400000000, -0.0000885700000000 ] - [ -0.0003868700000000, 0.0000884100000000, 0.0000924100000000 ] - [ -0.0000328700000000, 0.0000276900000000, 0.0002147600000000 ] - [ 0.0003624900000000, 0.0000384100000000, 0.0002197500000000 ] - [ 0.0006502200000000, -0.0000225200000000, -0.0007376600000000 ] - [ -0.0002085000000000, -0.0002587300000000, 0.0001976000000000 ] - [ 0.0022205900000000, -0.0002025800000000, -0.0049870200000000 ] - [ 0.0003175000000000, 0.0001526500000000, -0.0009845500000000 ] - [ 0.0002523900000000, -0.0001948400000000, 0.0002533300000000 ] - [ -0.0000688000000000, -0.0000923700000000, 0.0000099600000000 ] - [ -0.0000853900000000, 0.0002532400000000, 0.0001842900000000 ] - [ 0.0312225000000000, -0.0425009900000000, -0.0496147100000000 ] - [ -0.0001606800000000, -0.0000271200000000, 0.0000181600000000 ] - [ -0.0002114400000000, -0.0001866700000000, 0.0000850500000000 ] - [ 0.0004219600000000, 0.0002278500000000, 0.0004300300000000 ] - [ -0.0000024900000000, 0.0001524700000000, 0.0007687700000000 ] - [ 0.0003474900000000, 0.0004645300000000, -0.0045700400000000 ] - [ -0.0001973700000000, 0.0003298600000000, 0.0005050500000000 ] - [ 0.0002650000000000, 0.0001934100000000, -0.0004736700000000 ] - [ 0.0000825500000000, 0.0001853600000000, 0.0004926100000000 ] - [ 0.0000877600000000, 0.0000868200000000, 0.0001647800000000 ] - [ 0.0002431900000000, -0.0000343600000000, -0.0000182500000000 ] - [ 0.0003768100000000, 0.0003234100000000, -0.0008703500000000 ] - [ -0.0003513100000000, 0.0000967500000000, 0.0001925700000000 ] - [ -0.0003629000000000, -0.0001726600000000, 0.0002513500000000 ] - [ -0.0004083900000000, 0.0002942500000000, 0.0002579400000000 ] - [ 0.0004610400000000, -0.0000893300000000, 0.0003302300000000 ] - [ 0.0000647800000000, 0.0002804900000000, -0.0002497500000000 ] - [ 0.0003928800000000, 0.0003155300000000, 0.0003094900000000 ] - [ -0.0002610800000000, -0.0000640900000000, 0.0004614400000000 ] - [ 0.0004572200000000, 0.0002943200000000, -0.0000468500000000 ] - [ -0.0002512900000000, -0.0001095200000000, 0.0002151500000000 ] - [ 0.0000147200000000, -0.0003834300000000, 0.0003970500000000 ] - [ 0.0003460700000000, 0.0000578700000000, -0.0001401900000000 ] - [ -0.0001516300000000, 0.0000561500000000, 0.0000752400000000 ] - [ 0.0001724600000000, 0.0000404000000000, 0.0004341300000000 ] - [ 0.0001511600000000, 0.0001810300000000, 0.0003261200000000 ]- atom: 59 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ 0.0003641200000000, 0.0000073900000000, 0.0001626500000000 ] - [ -0.0004351100000000, 0.0002710400000000, -0.0007340800000000 ] - [ -0.0002211600000000, -0.0000057700000000, 0.0005014900000000 ] - [ 0.0001536000000000, 0.0001783600000000, -0.0004787900000000 ] - [ -0.0003178500000000, 0.0001765900000000, 0.0006530800000000 ] - [ 0.0001994900000000, -0.0000430200000000, 0.0001629100000000 ] - [ -0.0001639500000000, 0.0002159500000000, 0.0001171700000000 ] - [ -0.0002058700000000, -0.0001904500000000, 0.0005689000000000 ] - [ 0.0001820700000000, -0.0001466000000000, -0.0003642900000000 ] - [ 0.0048530600000000, 0.0038786200000000, -0.0042273700000000 ] - [ 0.0021991600000000, 0.0000651100000000, -0.0019105700000000 ] - [ -0.0021173200000000, 0.0012657100000000, -0.0070103500000000 ] - [ 0.0000126000000000, -0.0000046900000000, 0.0005070700000000 ] - [ -0.0000199900000000, -0.0002406000000000, 0.0001127600000000 ] - [ 0.0000398700000000, -0.0001762500000000, 0.0002404800000000 ] - [ -0.0004103100000000, 0.0004671200000000, -0.0000190900000000 ] - [ 0.0002329100000000, -0.0001221400000000, -0.0005418300000000 ] - [ -0.0007720600000000, -0.0000044500000000, -0.0015399800000000 ] - [ 0.0000675200000000, 0.0000945100000000, 0.0002210300000000 ] - [ -0.0001850600000000, 0.0000352100000000, 0.0001006000000000 ] - [ 0.0003573600000000, 0.0000016200000000, 0.0003446900000000 ] - [ 0.0008326900000000, 0.0002938500000000, -0.0001358200000000 ] - [ 0.0039089800000000, 0.0029954900000000, -0.0007172500000000 ] - [ -0.0005687900000000, 0.0000253700000000, 0.0009485100000000 ] - [ 0.0006743900000000, 0.0004512000000000, -0.0020346300000000 ] - [ 0.0002071700000000, -0.0000606000000000, 0.0000979600000000 ] - [ 0.0004732800000000, 0.0003062800000000, -0.0000816900000000 ] - [ 0.0000713600000000, -0.0003399200000000, 0.0001698800000000 ] - [ 0.0000787900000000, -0.0004941700000000, 0.0008292500000000 ] - [ -0.0008430000000000, -0.0013110800000000, 0.0003935900000000 ] - [ 0.0007180500000000, -0.0000830500000000, 0.0013852500000000 ] - [ 0.0007067000000000, 0.0006059900000000, -0.0015515000000000 ] - [ 0.0005422600000000, 0.0000727700000000, 0.0001343100000000 ] - [ 0.0237492700000000, -0.0366119500000000, -0.0329927500000000 ] - [ 0.0000914500000000, -0.0002161000000000, 0.0003186200000000 ] - [ -0.0004804100000000, 0.0003464700000000, 0.0007527000000000 ] - [ 0.0000330500000000, 0.0002338700000000, -0.0000809500000000 ] - [ -0.0001386800000000, -0.0000433400000000, -0.0000812200000000 ] - [ 0.0000264700000000, 0.0000961400000000, 0.0014229900000000 ] - [ -0.0002150600000000, 0.0000410000000000, -0.0002968300000000 ] - [ 0.0035441200000000, -0.0129708700000000, -0.0095063900000000 ] - [ 0.0004010700000000, 0.0010251300000000, -0.0004167900000000 ] - [ 0.0002321000000000, 0.0001638700000000, 0.0001774400000000 ] - [ 0.0000614500000000, -0.0000685800000000, -0.0003482100000000 ] - [ 0.0000473400000000, -0.0000432700000000, -0.0003250300000000 ] - [ -0.0004724700000000, -0.0001998800000000, 0.0000308000000000 ] - [ -0.0006017900000000, -0.0013614300000000, 0.0002226700000000 ] - [ 0.0000472600000000, -0.0003256800000000, 0.0000063100000000 ] - [ 0.0001261300000000, 0.0002498500000000, -0.0000027500000000 ] - [ -0.0003712000000000, 0.0003175200000000, -0.0000562300000000 ] - [ 0.0002071200000000, -0.0000595500000000, -0.0002041600000000 ] - [ -0.0005270400000000, -0.0004194200000000, 0.0005361500000000 ] - [ 0.0000058500000000, 0.0004602000000000, -0.0003609700000000 ] - [ -0.0022642300000000, 0.0001334800000000, 0.0051424700000000 ] - [ 0.0000904400000000, 0.0001846200000000, 0.0008402700000000 ] - [ -0.0000463600000000, -0.0000105900000000, -0.0000842600000000 ] - [ -0.0000710000000000, -0.0001978600000000, -0.0004149300000000 ] - [ 0.0002045000000000, 0.0001917300000000, -0.0003823800000000 ] - [ -0.0316933800000000, 0.0430486600000000, 0.0492797500000000 ] - [ 0.0000328600000000, -0.0001812200000000, -0.0004895600000000 ] - [ -0.0001960100000000, -0.0001593400000000, 0.0000753900000000 ] - [ -0.0005729200000000, -0.0002005700000000, -0.0002733500000000 ] - [ 0.0001142000000000, 0.0001814700000000, -0.0003156200000000 ] - [ -0.0009171400000000, -0.0003784500000000, 0.0045837400000000 ] - [ 0.0003230100000000, -0.0001200100000000, -0.0000267500000000 ] - [ -0.0001092400000000, -0.0002215000000000, 0.0003175400000000 ] - [ -0.0001942700000000, 0.0001489000000000, -0.0009385300000000 ] - [ -0.0001047800000000, 0.0000428800000000, -0.0003148600000000 ] - [ -0.0004449400000000, -0.0001723300000000, -0.0001459100000000 ] - [ -0.0004970900000000, -0.0001097600000000, 0.0003969700000000 ] - [ 0.0002296900000000, -0.0004289300000000, -0.0006304400000000 ] - [ 0.0002401300000000, -0.0002729000000000, -0.0000464500000000 ] - [ 0.0002553700000000, -0.0003223700000000, -0.0001024000000000 ] - [ -0.0003317800000000, -0.0001189000000000, 0.0001438600000000 ] - [ -0.0002043500000000, 0.0000122200000000, -0.0001589900000000 ] - [ -0.0005112200000000, 0.0001284500000000, -0.0001078800000000 ] - [ -0.0003083200000000, 0.0000429500000000, -0.0004700900000000 ] - [ -0.0001116100000000, -0.0004308200000000, 0.0002993900000000 ] - [ -0.0000917500000000, 0.0002553500000000, -0.0004682900000000 ] - [ 0.0003908400000000, 0.0000346700000000, -0.0005520200000000 ] - [ 0.0002233200000000, -0.0000367200000000, 0.0001511400000000 ] - [ 0.0001465100000000, 0.0001030500000000, -0.0000578700000000 ] - [ -0.0001532400000000, 0.0000908000000000, -0.0002796100000000 ] - [ 0.0001918100000000, -0.0000363000000000, -0.0000700900000000 ]- atom: 60 displacement: [ 0.0099998959215628, 0.0000000000000000, -0.0000456240935482 ] forces: - [ -0.0004377000000000, -0.0005539900000000, 0.0006673000000000 ] - [ -0.0000417800000000, -0.0000034800000000, -0.0001868000000000 ] - [ -0.0001331200000000, 0.0001938800000000, -0.0002573000000000 ] - [ 0.0004606500000000, 0.0001217000000000, -0.0001059500000000 ] - [ 0.0003610600000000, 0.0000813000000000, -0.0001358100000000 ] - [ 0.0003191300000000, 0.0006278100000000, 0.0003778600000000 ] - [ 0.0007537800000000, 0.0005086700000000, -0.0004054800000000 ] - [ 0.0005132600000000, -0.0002020800000000, -0.0005065800000000 ] - [ -0.0006467200000000, 0.0000332500000000, -0.0001376600000000 ] - [ -0.0001851500000000, 0.0000956500000000, 0.0004907700000000 ] - [ -0.0000844200000000, -0.0000822300000000, 0.0000213200000000 ] - [ 0.0001259700000000, 0.0002115100000000, -0.0000276600000000 ] - [ -0.0007750200000000, 0.0001410200000000, 0.0002633800000000 ] - [ -0.0002017800000000, -0.0002171500000000, 0.0002348300000000 ] - [ 0.0010923800000000, -0.0019773100000000, -0.0005321900000000 ] - [ -0.0003533700000000, -0.0001017200000000, 0.0005996900000000 ] - [ 0.0005421400000000, -0.0001241100000000, -0.0002039400000000 ] - [ -0.0005655800000000, -0.0001989900000000, 0.0000567900000000 ] - [ -0.0012022700000000, -0.0000794100000000, 0.0000157500000000 ] - [ -0.0001904400000000, -0.0001274100000000, -0.0005423700000000 ] - [ 0.0078930600000000, -0.0036528900000000, -0.0041980600000000 ] - [ 0.0003287800000000, 0.0001262900000000, 0.0001083200000000 ] - [ -0.0004285100000000, 0.0000046300000000, 0.0002213600000000 ] - [ 0.0071542500000000, 0.0036758300000000, -0.0015458600000000 ] - [ 0.0001323600000000, 0.0002382900000000, -0.0000916400000000 ] - [ -0.0008064900000000, 0.0002310400000000, -0.0003590200000000 ] - [ -0.0000754200000000, 0.0010584700000000, -0.0018955900000000 ] - [ 0.0004634300000000, -0.0004118400000000, -0.0000671500000000 ] - [ -0.0020939300000000, 0.0017121400000000, -0.0006654900000000 ] - [ -0.0003453900000000, -0.0014576100000000, 0.0002085200000000 ] - [ -0.0000610200000000, -0.0002026100000000, 0.0004302900000000 ] - [ 0.0001910100000000, 0.0000827600000000, -0.0000836400000000 ] - [ 0.0002582800000000, 0.0011891000000000, 0.0003132000000000 ] - [ -0.0003917200000000, 0.0002754200000000, 0.0001013000000000 ] - [ 0.0389254900000000, -0.0308866800000000, -0.0151773600000000 ] - [ 0.0012464200000000, 0.0005288600000000, 0.0016865000000000 ] - [ 0.0024251800000000, 0.0015022900000000, -0.0014276500000000 ] - [ 0.0004427200000000, -0.0002520100000000, -0.0000193700000000 ] - [ 0.0000517900000000, -0.0001851500000000, -0.0000234900000000 ] - [ 0.0004731400000000, 0.0004054000000000, -0.0001646700000000 ] - [ 0.0001478800000000, 0.0001609400000000, 0.0001848100000000 ] - [ 0.0006066600000000, 0.0007771200000000, -0.0003292700000000 ] - [ 0.0000699000000000, 0.0001038200000000, 0.0001069600000000 ] - [ 0.0126346400000000, -0.0128678500000000, -0.0000449300000000 ] - [ 0.0014147300000000, -0.0010433100000000, 0.0008111600000000 ] - [ 0.0005866600000000, -0.0001367600000000, 0.0005507700000000 ] - [ -0.0001225200000000, -0.0000951500000000, 0.0000759400000000 ] - [ -0.0000037000000000, -0.0000384700000000, 0.0001081000000000 ] - [ -0.0001573400000000, 0.0002074500000000, 0.0001226400000000 ] - [ -0.0001423500000000, 0.0008273700000000, 0.0004151700000000 ] - [ 0.0005571800000000, 0.0000282900000000, -0.0000757600000000 ] - [ 0.0000455500000000, -0.0001926000000000, -0.0001866400000000 ] - [ -0.0004320500000000, 0.0015180400000000, -0.0011186600000000 ] - [ 0.0002691300000000, -0.0000863800000000, 0.0001485600000000 ] - [ 0.0000973600000000, 0.0001746900000000, -0.0001136200000000 ] - [ 0.0024881800000000, 0.0032660800000000, 0.0006478100000000 ] - [ 0.0000919900000000, -0.0002014000000000, -0.0002586100000000 ] - [ -0.0047521400000000, 0.0015916800000000, 0.0006904600000000 ] - [ -0.0000142600000000, -0.0001026700000000, -0.0001855900000000 ] - [ -0.0669867100000000, 0.0377939700000000, 0.0204724000000000 ] - [ -0.0001996700000000, -0.0001785100000000, 0.0001110400000000 ] - [ -0.0002331300000000, 0.0000097100000000, 0.0000046600000000 ] - [ -0.0018565300000000, -0.0032658300000000, -0.0030635800000000 ] - [ -0.0001653900000000, 0.0000641300000000, -0.0000969500000000 ] - [ -0.0029613500000000, 0.0001406300000000, -0.0011793400000000 ] - [ 0.0000503400000000, -0.0000191100000000, -0.0001711100000000 ] - [ -0.0002181000000000, 0.0001243500000000, -0.0002749300000000 ] - [ 0.0005847200000000, -0.0000377300000000, 0.0001512600000000 ] - [ -0.0004348900000000, -0.0001218100000000, -0.0001498400000000 ] - [ -0.0000566300000000, 0.0001043900000000, -0.0003291100000000 ] - [ -0.0003911500000000, -0.0001825400000000, -0.0006598200000000 ] - [ -0.0022043300000000, -0.0001000800000000, -0.0004533900000000 ] - [ -0.0006488200000000, -0.0009730400000000, -0.0018263400000000 ] - [ 0.0000516300000000, -0.0001979000000000, 0.0001579000000000 ] - [ 0.0001695900000000, -0.0007197300000000, 0.0008765100000000 ] - [ -0.0000700900000000, 0.0003149500000000, 0.0000223400000000 ] - [ 0.0042677200000000, 0.0013844500000000, 0.0036099500000000 ] - [ 0.0000166500000000, -0.0004125400000000, 0.0004904400000000 ] - [ 0.0001853400000000, -0.0006366900000000, 0.0004091400000000 ] - [ 0.0006105000000000, 0.0015508900000000, 0.0005855600000000 ] - [ 0.0001543000000000, -0.0003985600000000, 0.0020713000000000 ] - [ -0.0000135800000000, 0.0000952900000000, 0.0000410900000000 ] - [ 0.0011634600000000, -0.0002604800000000, 0.0006623400000000 ] - [ 0.0006662000000000, -0.0002977200000000, -0.0000472500000000 ]- atom: 60 displacement: [ -0.0099998959215628, 0.0000000000000000, 0.0000456240935482 ] forces: - [ 0.0010463800000000, 0.0007217200000000, -0.0009855600000000 ] - [ 0.0000524700000000, -0.0001565100000000, 0.0000956500000000 ] - [ 0.0001228600000000, -0.0000329300000000, 0.0003466800000000 ] - [ -0.0000924900000000, 0.0000958100000000, -0.0001239700000000 ] - [ -0.0009659300000000, 0.0000882100000000, 0.0004521300000000 ] - [ 0.0000467000000000, -0.0008445300000000, -0.0006114100000000 ] - [ -0.0009972800000000, -0.0000743400000000, 0.0005546100000000 ] - [ -0.0008699300000000, -0.0000179600000000, 0.0007413400000000 ] - [ 0.0006715100000000, -0.0000354600000000, -0.0002225300000000 ] - [ -0.0001832300000000, 0.0001218200000000, -0.0002573000000000 ] - [ 0.0000580600000000, 0.0000808100000000, 0.0003399400000000 ] - [ 0.0001183700000000, 0.0002224100000000, -0.0001227800000000 ] - [ 0.0007435900000000, -0.0001384900000000, 0.0000963800000000 ] - [ -0.0000433900000000, -0.0002166100000000, -0.0000799900000000 ] - [ -0.0008434900000000, 0.0015121400000000, 0.0003650900000000 ] - [ -0.0002582400000000, -0.0000675200000000, -0.0002797200000000 ] - [ 0.0000721300000000, -0.0000447600000000, -0.0001115500000000 ] - [ 0.0005544100000000, 0.0000395200000000, 0.0000355300000000 ] - [ 0.0012087000000000, 0.0002377900000000, -0.0001091700000000 ] - [ 0.0002167200000000, 0.0001277300000000, 0.0001783900000000 ] - [ -0.0072248500000000, 0.0034670600000000, 0.0038986500000000 ] - [ 0.0005857800000000, 0.0000691100000000, -0.0001746500000000 ] - [ -0.0004880400000000, -0.0001996400000000, -0.0001453800000000 ] - [ -0.0076903500000000, -0.0031730700000000, 0.0014402200000000 ] - [ 0.0002483100000000, 0.0002541600000000, -0.0007192200000000 ] - [ 0.0008883300000000, -0.0006658500000000, 0.0000014000000000 ] - [ 0.0001708500000000, -0.0006249900000000, 0.0015337800000000 ] - [ 0.0001909900000000, -0.0002435200000000, 0.0000559400000000 ] - [ 0.0019973600000000, -0.0021380500000000, 0.0010169100000000 ] - [ -0.0003082200000000, 0.0007986700000000, -0.0001971400000000 ] - [ -0.0003192700000000, -0.0002898100000000, 0.0003917300000000 ] - [ -0.0008396600000000, 0.0005707300000000, 0.0000959900000000 ] - [ 0.0003747800000000, -0.0005222100000000, -0.0003508400000000 ] - [ 0.0003021400000000, 0.0001681500000000, 0.0002588000000000 ] - [ -0.0387470400000000, 0.0314232600000000, 0.0148319800000000 ] - [ -0.0016092600000000, -0.0000601300000000, -0.0008608000000000 ] - [ -0.0023967200000000, -0.0013267100000000, 0.0014005500000000 ] - [ -0.0006907200000000, -0.0000850000000000, 0.0001129000000000 ] - [ 0.0000649400000000, -0.0001507800000000, 0.0004646500000000 ] - [ -0.0004825100000000, -0.0005728300000000, 0.0001835000000000 ] - [ 0.0000030800000000, 0.0001432400000000, 0.0002201400000000 ] - [ -0.0003390100000000, -0.0004304100000000, 0.0002399200000000 ] - [ 0.0001295700000000, 0.0001071000000000, 0.0000606700000000 ] - [ -0.0126543800000000, 0.0131094700000000, -0.0001392400000000 ] - [ -0.0012557200000000, 0.0007336200000000, -0.0003927500000000 ] - [ -0.0006259600000000, 0.0000032500000000, -0.0007129300000000 ] - [ 0.0001299500000000, -0.0000714100000000, -0.0000908000000000 ] - [ 0.0002659300000000, -0.0003071600000000, -0.0001967400000000 ] - [ -0.0001054800000000, 0.0001394600000000, -0.0000341000000000 ] - [ -0.0002693800000000, -0.0004942100000000, -0.0002535000000000 ] - [ 0.0000178700000000, -0.0000511600000000, 0.0000733400000000 ] - [ 0.0000486600000000, -0.0002451900000000, -0.0000050800000000 ] - [ 0.0002276700000000, -0.0012918700000000, 0.0009393900000000 ] - [ -0.0002291000000000, -0.0000485700000000, 0.0000131700000000 ] - [ 0.0003156800000000, 0.0001637100000000, -0.0000431800000000 ] - [ -0.0022649600000000, -0.0035425500000000, -0.0004734500000000 ] - [ -0.0002400400000000, -0.0001036700000000, -0.0001505800000000 ] - [ 0.0048336100000000, -0.0012016400000000, -0.0008859200000000 ] - [ -0.0003450600000000, -0.0000195500000000, -0.0000651400000000 ] - [ 0.0669299200000000, -0.0394138500000000, -0.0209863500000000 ] - [ -0.0002121800000000, -0.0001600500000000, 0.0000423100000000 ] - [ 0.0000559100000000, 0.0000327600000000, 0.0001269900000000 ] - [ 0.0020279800000000, 0.0035775100000000, 0.0034904500000000 ] - [ -0.0004062400000000, -0.0000419100000000, 0.0000955000000000 ] - [ 0.0030770900000000, 0.0000424600000000, 0.0016854800000000 ] - [ 0.0001257600000000, -0.0000217900000000, 0.0000337900000000 ] - [ 0.0001024000000000, 0.0002114200000000, -0.0001741600000000 ] - [ -0.0006160500000000, 0.0001702300000000, -0.0003116100000000 ] - [ 0.0002341500000000, -0.0000894800000000, -0.0000194100000000 ] - [ -0.0000839500000000, 0.0000887200000000, -0.0001302700000000 ] - [ 0.0002719600000000, -0.0001472700000000, 0.0002186000000000 ] - [ 0.0021033500000000, -0.0003359300000000, 0.0006361000000000 ] - [ 0.0004726700000000, 0.0009272700000000, 0.0019424800000000 ] - [ 0.0000922300000000, 0.0000057900000000, 0.0002956700000000 ] - [ -0.0003223100000000, 0.0010278700000000, -0.0012680000000000 ] - [ -0.0000201300000000, 0.0001239300000000, 0.0001643800000000 ] - [ -0.0047784900000000, -0.0013731500000000, -0.0035497500000000 ] - [ 0.0003443200000000, 0.0002926900000000, -0.0002409000000000 ] - [ -0.0005427700000000, 0.0007519700000000, -0.0006519700000000 ] - [ -0.0001901100000000, -0.0018784200000000, -0.0007310700000000 ] - [ 0.0004181500000000, 0.0004229200000000, -0.0020855600000000 ] - [ 0.0000061400000000, 0.0000710800000000, -0.0000266900000000 ] - [ -0.0011174600000000, 0.0003919000000000, -0.0004935700000000 ] - [ -0.0002999800000000, 0.0004134800000000, 0.0002935600000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002582700000000, 0.0005260200000000, 0.0004279100000000 ] - [ -0.0000281400000000, -0.0000919700000000, -0.0001398100000000 ] - [ 0.0000423900000000, 0.0000441500000000, 0.0000936800000000 ] - [ 0.0002397400000000, 0.0001675100000000, -0.0001889300000000 ] - [ -0.0007020500000000, -0.0001482700000000, -0.0005198500000000 ] - [ 0.0007222800000000, -0.0008116300000000, -0.0001241300000000 ] - [ 0.0003522100000000, -0.0002207800000000, 0.0006782500000000 ] - [ -0.0001667400000000, 0.0003837300000000, 0.0008498300000000 ] - [ -0.0002061800000000, -0.0001097800000000, -0.0002227200000000 ] - [ -0.0000518800000000, -0.0001035800000000, 0.0000325100000000 ] - [ -0.0000455000000000, 0.0000106700000000, 0.0000857800000000 ] - [ 0.0001183600000000, 0.0002435600000000, -0.0001479700000000 ] - [ -0.0001540700000000, -0.0000711900000000, 0.0002816800000000 ] - [ -0.0000398600000000, -0.0002240200000000, -0.0001451400000000 ] - [ -0.0016553400000000, 0.0011433500000000, 0.0008606500000000 ] - [ -0.0002605800000000, 0.0001107400000000, 0.0001920300000000 ] - [ 0.0002958800000000, -0.0001567700000000, -0.0004531900000000 ] - [ -0.0001232700000000, -0.0000522300000000, -0.0000164900000000 ] - [ 0.0000695500000000, 0.0000423200000000, 0.0000059100000000 ] - [ 0.0000037000000000, 0.0000460700000000, -0.0002398700000000 ] - [ -0.0046978600000000, 0.0058734000000000, -0.0034818700000000 ] - [ 0.0004785000000000, 0.0000501800000000, -0.0002565800000000 ] - [ -0.0004391600000000, -0.0003050800000000, -0.0002271500000000 ] - [ 0.0060851900000000, 0.0158309700000000, -0.0013161100000000 ] - [ 0.0001918200000000, 0.0002725800000000, -0.0005867700000000 ] - [ 0.0001617700000000, -0.0007240900000000, -0.0003603600000000 ] - [ -0.0006761300000000, 0.0007138400000000, 0.0000413300000000 ] - [ 0.0003252100000000, -0.0003317000000000, -0.0001150500000000 ] - [ 0.0001376400000000, 0.0017437300000000, 0.0006740200000000 ] - [ -0.0005662100000000, -0.0014392800000000, 0.0004818200000000 ] - [ -0.0003851300000000, 0.0000711600000000, 0.0008207400000000 ] - [ -0.0006061100000000, 0.0004925200000000, -0.0001371100000000 ] - [ -0.0021040800000000, 0.0019978300000000, -0.0005800700000000 ] - [ -0.0001957900000000, 0.0001342000000000, 0.0000287800000000 ] - [ -0.0348862600000000, 0.0821279400000000, 0.0290310800000000 ] - [ -0.0003429200000000, 0.0025662300000000, -0.0012472500000000 ] - [ 0.0013174000000000, 0.0006580700000000, -0.0008260000000000 ] - [ 0.0017020700000000, 0.0012603400000000, -0.0001674800000000 ] - [ 0.0000423200000000, -0.0001410800000000, 0.0003873900000000 ] - [ 0.0005456500000000, -0.0003250800000000, -0.0001618800000000 ] - [ 0.0001216600000000, 0.0002030700000000, 0.0003269800000000 ] - [ 0.0002711800000000, 0.0007705200000000, -0.0001643400000000 ] - [ 0.0001111200000000, 0.0001169600000000, 0.0001789500000000 ] - [ -0.0090623300000000, 0.0014329300000000, 0.0002605500000000 ] - [ 0.0001825400000000, -0.0012394300000000, 0.0001633500000000 ] - [ 0.0001780700000000, -0.0001520300000000, -0.0001640200000000 ] - [ 0.0000557400000000, -0.0000716800000000, 0.0001112000000000 ] - [ 0.0001636700000000, -0.0002471000000000, -0.0000209700000000 ] - [ -0.0001498300000000, 0.0001891400000000, 0.0001207100000000 ] - [ 0.0000612000000000, 0.0002646100000000, 0.0002971000000000 ] - [ 0.0003055200000000, 0.0001250800000000, 0.0000575500000000 ] - [ 0.0000155800000000, -0.0002094000000000, -0.0000243800000000 ] - [ 0.0001060300000000, 0.0006977200000000, -0.0005557600000000 ] - [ 0.0001401700000000, -0.0000527600000000, 0.0001669900000000 ] - [ 0.0002503100000000, 0.0001611800000000, 0.0001116300000000 ] - [ 0.0046538500000000, 0.0015078400000000, 0.0019024700000000 ] - [ -0.0000726600000000, -0.0000316600000000, -0.0000523400000000 ] - [ 0.0005507200000000, 0.0154421700000000, 0.0022717300000000 ] - [ -0.0001649800000000, -0.0000113400000000, -0.0000494100000000 ] - [ 0.0393051800000000, -0.1253268400000000, -0.0321736000000000 ] - [ -0.0002314200000000, -0.0001844800000000, 0.0001863700000000 ] - [ -0.0000726500000000, 0.0000242100000000, 0.0000353200000000 ] - [ -0.0022074800000000, -0.0002930100000000, 0.0034665100000000 ] - [ -0.0002329900000000, 0.0000690700000000, 0.0000777900000000 ] - [ 0.0001041800000000, -0.0009686000000000, -0.0032053400000000 ] - [ 0.0000780800000000, -0.0000298800000000, -0.0000124700000000 ] - [ -0.0000053500000000, 0.0001684600000000, -0.0004481300000000 ] - [ -0.0000974600000000, 0.0002100200000000, -0.0001124200000000 ] - [ 0.0001087500000000, -0.0001031200000000, 0.0000929800000000 ] - [ -0.0000820700000000, 0.0000909700000000, -0.0001612000000000 ] - [ 0.0000387700000000, -0.0007070500000000, -0.0002017100000000 ] - [ -0.0001403400000000, 0.0001284400000000, 0.0022277000000000 ] - [ -0.0011129900000000, -0.0014990500000000, 0.0007725000000000 ] - [ 0.0001753100000000, 0.0000612800000000, 0.0000907600000000 ] - [ 0.0007867300000000, -0.0006404600000000, -0.0003040300000000 ] - [ -0.0000697300000000, 0.0001734100000000, 0.0001529200000000 ] - [ 0.0013696000000000, -0.0007239400000000, 0.0008616000000000 ] - [ 0.0001875800000000, -0.0002291000000000, 0.0001176600000000 ] - [ -0.0010147300000000, -0.0002841600000000, -0.0005260400000000 ] - [ 0.0004700000000000, 0.0005307700000000, -0.0003179400000000 ] - [ 0.0006789000000000, -0.0007360200000000, 0.0007361800000000 ] - [ -0.0000267000000000, 0.0000778800000000, 0.0000878500000000 ] - [ 0.0000937200000000, -0.0003834300000000, -0.0000025100000000 ] - [ -0.0000605900000000, 0.0004242400000000, 0.0003096200000000 ]- atom: 60 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008715700000000, -0.0003570200000000, -0.0007458200000000 ] - [ 0.0000374700000000, -0.0000670400000000, 0.0000474000000000 ] - [ -0.0000528300000000, 0.0001157500000000, -0.0000031200000000 ] - [ 0.0001286100000000, 0.0000502500000000, -0.0000456300000000 ] - [ 0.0000904900000000, 0.0003216100000000, 0.0008322800000000 ] - [ -0.0003480400000000, 0.0005928600000000, -0.0001089500000000 ] - [ -0.0005961000000000, 0.0006618300000000, -0.0005224000000000 ] - [ -0.0002021900000000, -0.0006033100000000, -0.0006184200000000 ] - [ 0.0002325600000000, 0.0001088500000000, -0.0001364200000000 ] - [ -0.0003175600000000, 0.0003208200000000, 0.0001990900000000 ] - [ 0.0000180000000000, -0.0000128800000000, 0.0002736500000000 ] - [ 0.0001260800000000, 0.0001898700000000, -0.0000055400000000 ] - [ 0.0001268400000000, 0.0000738000000000, 0.0000784300000000 ] - [ -0.0002042600000000, -0.0002091100000000, 0.0002972100000000 ] - [ 0.0019753400000000, -0.0016781100000000, -0.0010495900000000 ] - [ -0.0003482000000000, -0.0002810700000000, 0.0001242600000000 ] - [ 0.0003156600000000, -0.0000143900000000, 0.0001373700000000 ] - [ 0.0001129800000000, -0.0001079500000000, 0.0001086800000000 ] - [ -0.0000587100000000, 0.0001173700000000, -0.0000986200000000 ] - [ 0.0000237300000000, -0.0000440200000000, -0.0001207900000000 ] - [ 0.0056093500000000, -0.0061654000000000, 0.0034188200000000 ] - [ 0.0004390300000000, 0.0001470400000000, 0.0001851000000000 ] - [ -0.0004765400000000, 0.0001093500000000, 0.0002959300000000 ] - [ -0.0066944900000000, -0.0154603500000000, 0.0012968100000000 ] - [ 0.0001874600000000, 0.0002159500000000, -0.0002268600000000 ] - [ -0.0000750200000000, 0.0002804000000000, 0.0000000700000000 ] - [ 0.0007600700000000, -0.0002606400000000, -0.0004041000000000 ] - [ 0.0003277000000000, -0.0003281000000000, 0.0001021000000000 ] - [ -0.0002238100000000, -0.0022020600000000, -0.0003157400000000 ] - [ -0.0000857500000000, 0.0007847900000000, -0.0004738500000000 ] - [ 0.0000065900000000, -0.0005617200000000, -0.0000183200000000 ] - [ -0.0000462400000000, 0.0001665700000000, 0.0001474300000000 ] - [ 0.0027557700000000, -0.0013672500000000, 0.0005696900000000 ] - [ 0.0001084500000000, 0.0003136300000000, 0.0003307300000000 ] - [ 0.0332182400000000, -0.0795661800000000, -0.0279860200000000 ] - [ -0.0000161800000000, -0.0021298800000000, 0.0020513900000000 ] - [ -0.0013048700000000, -0.0004920500000000, 0.0008082800000000 ] - [ -0.0019852800000000, -0.0016253500000000, 0.0002549500000000 ] - [ 0.0000740500000000, -0.0001935500000000, 0.0000521800000000 ] - [ -0.0005545900000000, 0.0001624700000000, 0.0001775100000000 ] - [ 0.0000329100000000, 0.0001047600000000, 0.0000812400000000 ] - [ -0.0000087400000000, -0.0004277100000000, 0.0000780000000000 ] - [ 0.0000895000000000, 0.0000997500000000, -0.0000073900000000 ] - [ 0.0091537200000000, -0.0014007900000000, -0.0003772200000000 ] - [ -0.0000260700000000, 0.0009385100000000, 0.0002423400000000 ] - [ -0.0002156700000000, 0.0000147200000000, 0.0000029800000000 ] - [ -0.0000426400000000, -0.0000973900000000, -0.0001277200000000 ] - [ 0.0000986500000000, -0.0000996400000000, -0.0000667400000000 ] - [ -0.0001129800000000, 0.0001594700000000, -0.0000317400000000 ] - [ -0.0004743000000000, 0.0000818400000000, -0.0001498200000000 ] - [ 0.0002682600000000, -0.0001483900000000, -0.0000623600000000 ] - [ 0.0000691000000000, -0.0002289500000000, -0.0001617800000000 ] - [ -0.0003053100000000, -0.0004885900000000, 0.0003870000000000 ] - [ -0.0001002300000000, -0.0000837000000000, -0.0000048700000000 ] - [ 0.0001640400000000, 0.0001713900000000, -0.0002635600000000 ] - [ -0.0045006600000000, -0.0017259600000000, -0.0017546700000000 ] - [ -0.0000819200000000, -0.0002764200000000, -0.0003567600000000 ] - [ -0.0004371600000000, -0.0146635900000000, -0.0024060900000000 ] - [ -0.0001965000000000, -0.0001108700000000, -0.0002004500000000 ] - [ -0.0376421900000000, 0.1218886300000000, 0.0299007600000000 ] - [ -0.0001829400000000, -0.0001477400000000, -0.0000336100000000 ] - [ -0.0001069000000000, 0.0000226000000000, 0.0000928000000000 ] - [ 0.0022940900000000, 0.0006124900000000, -0.0029884300000000 ] - [ -0.0003414500000000, -0.0000470700000000, -0.0000731300000000 ] - [ 0.0000322100000000, 0.0011357100000000, 0.0037173600000000 ] - [ 0.0001007500000000, -0.0000166100000000, -0.0001143300000000 ] - [ -0.0001117800000000, 0.0001668700000000, 0.0000179700000000 ] - [ 0.0000594100000000, -0.0000740000000000, -0.0000486900000000 ] - [ -0.0003092200000000, -0.0001127400000000, -0.0002627100000000 ] - [ -0.0000615100000000, 0.0001007400000000, -0.0002930400000000 ] - [ -0.0001589700000000, 0.0003817700000000, -0.0002314800000000 ] - [ 0.0000451600000000, -0.0005646400000000, -0.0020739000000000 ] - [ 0.0009366200000000, 0.0014661200000000, -0.0006552300000000 ] - [ -0.0000329900000000, -0.0002533900000000, 0.0003665800000000 ] - [ -0.0009371600000000, 0.0009449100000000, -0.0001030400000000 ] - [ -0.0000157600000000, 0.0002657800000000, 0.0000351000000000 ] - [ -0.0019460400000000, 0.0006991600000000, -0.0008606200000000 ] - [ 0.0001753400000000, 0.0001064000000000, 0.0001327200000000 ] - [ 0.0006572400000000, 0.0004112400000000, 0.0002788000000000 ] - [ -0.0000659400000000, -0.0008788600000000, 0.0001627300000000 ] - [ -0.0001007600000000, 0.0007578100000000, -0.0007301100000000 ] - [ 0.0000133000000000, 0.0000916000000000, -0.0000701600000000 ] - [ -0.0000533100000000, 0.0005227200000000, 0.0001649700000000 ] - [ 0.0004234600000000, -0.0003037000000000, -0.0000608500000000 ]- atom: 60 displacement: [ -0.0020506787268925, 0.0000000000000000, 0.0097874775483303 ] forces: - [ 0.0013498000000000, 0.0008612500000000, -0.0001446600000000 ] - [ -0.0000632000000000, -0.0000905900000000, -0.0002657500000000 ] - [ 0.0000166000000000, 0.0000232700000000, 0.0001112700000000 ] - [ 0.0000479400000000, 0.0002242900000000, -0.0006941800000000 ] - [ -0.0010407000000000, -0.0003704100000000, 0.0001255400000000 ] - [ 0.0005971200000000, -0.0009900600000000, 0.0003642700000000 ] - [ -0.0003774100000000, 0.0002101800000000, 0.0007330100000000 ] - [ -0.0011029800000000, 0.0004531800000000, -0.0005708000000000 ] - [ 0.0001481400000000, 0.0000541600000000, -0.0002897100000000 ] - [ -0.0000570100000000, -0.0000502400000000, -0.0001890800000000 ] - [ -0.0000573700000000, 0.0000182100000000, -0.0000343300000000 ] - [ 0.0001443600000000, 0.0002624000000000, -0.0003578000000000 ] - [ 0.0001914900000000, -0.0000241000000000, 0.0004694600000000 ] - [ 0.0001141800000000, -0.0002091700000000, -0.0004265000000000 ] - [ -0.0006152400000000, 0.0006984800000000, -0.0000470500000000 ] - [ -0.0000760800000000, 0.0000855300000000, -0.0002610000000000 ] - [ 0.0002132200000000, -0.0002090000000000, -0.0004643400000000 ] - [ 0.0000889400000000, -0.0001067600000000, -0.0000410300000000 ] - [ 0.0002926000000000, 0.0000771500000000, 0.0003558700000000 ] - [ 0.0000238100000000, 0.0000809800000000, -0.0001966100000000 ] - [ -0.0008926300000000, 0.0003345500000000, 0.0043841500000000 ] - [ 0.0008329600000000, 0.0000195300000000, -0.0007525100000000 ] - [ -0.0004872400000000, -0.0003970100000000, -0.0009330900000000 ] - [ -0.0048487900000000, -0.0018321700000000, 0.0071184200000000 ] - [ 0.0003035200000000, 0.0002613300000000, -0.0012757300000000 ] - [ 0.0005814200000000, -0.0009123100000000, -0.0004411100000000 ] - [ -0.0010501100000000, 0.0006000000000000, 0.0002110500000000 ] - [ 0.0002633200000000, -0.0003860800000000, -0.0002898800000000 ] - [ -0.0002248800000000, 0.0009820700000000, 0.0017669200000000 ] - [ -0.0004240000000000, 0.0001335800000000, 0.0003616400000000 ] - [ -0.0004131800000000, -0.0003395200000000, 0.0000046300000000 ] - [ -0.0009399400000000, 0.0004005900000000, -0.0003972200000000 ] - [ 0.0000738000000000, -0.0000896100000000, 0.0001117000000000 ] - [ -0.0000862200000000, -0.0000143900000000, -0.0002662500000000 ] - [ -0.0213777000000000, 0.0298344100000000, 0.0299684900000000 ] - [ 0.0008604300000000, -0.0028276000000000, -0.0008343000000000 ] - [ -0.0012972900000000, -0.0007696900000000, 0.0005620200000000 ] - [ 0.0000071600000000, 0.0003116600000000, -0.0002704400000000 ] - [ -0.0000180000000000, -0.0001619100000000, 0.0008945700000000 ] - [ 0.0003813800000000, -0.0000827500000000, -0.0004495400000000 ] - [ 0.0001118200000000, 0.0002515100000000, 0.0005869700000000 ] - [ -0.0000885100000000, -0.0000074300000000, -0.0000172000000000 ] - [ 0.0001679200000000, 0.0001840800000000, 0.0003150500000000 ] - [ -0.0028126900000000, 0.0033802800000000, -0.0039345700000000 ] - [ -0.0007045200000000, 0.0001369800000000, -0.0008514900000000 ] - [ 0.0001372700000000, -0.0000989700000000, -0.0002350900000000 ] - [ 0.0001343900000000, 0.0000079000000000, 0.0001429500000000 ] - [ 0.0002885300000000, -0.0001563200000000, 0.0001450500000000 ] - [ -0.0001601400000000, 0.0002572700000000, 0.0002337600000000 ] - [ -0.0000683600000000, 0.0008597400000000, -0.0003411600000000 ] - [ 0.0001315000000000, 0.0000458600000000, 0.0001464900000000 ] - [ -0.0000796500000000, -0.0002448900000000, 0.0002058000000000 ] - [ 0.0000650700000000, -0.0002832200000000, -0.0000144100000000 ] - [ 0.0001155300000000, -0.0000298000000000, 0.0003202100000000 ] - [ 0.0003132800000000, 0.0001811500000000, 0.0004179300000000 ] - [ -0.0002785300000000, -0.0003589600000000, -0.0006467700000000 ] - [ -0.0001866400000000, -0.0000519700000000, 0.0000217900000000 ] - [ 0.0019400900000000, 0.0022384700000000, -0.0040907100000000 ] - [ -0.0002644300000000, 0.0000922000000000, 0.0001256000000000 ] - [ 0.0339659100000000, -0.0389831800000000, -0.0504658900000000 ] - [ -0.0002631200000000, -0.0001524500000000, 0.0003665400000000 ] - [ 0.0000495800000000, -0.0000594400000000, 0.0002880200000000 ] - [ -0.0050687700000000, 0.0093247500000000, 0.0071416100000000 ] - [ -0.0002680500000000, 0.0000594000000000, 0.0003559100000000 ] - [ -0.0006623200000000, -0.0032643700000000, 0.0102120000000000 ] - [ 0.0001006200000000, -0.0001051300000000, 0.0002525500000000 ] - [ 0.0000161900000000, 0.0001629400000000, 0.0001438500000000 ] - [ -0.0004243600000000, 0.0002996400000000, -0.0002296800000000 ] - [ 0.0004254200000000, 0.0000331600000000, 0.0003195100000000 ] - [ -0.0001732800000000, 0.0000269000000000, 0.0001327300000000 ] - [ -0.0003631700000000, 0.0005534200000000, 0.0007865400000000 ] - [ -0.0001622100000000, 0.0007616200000000, 0.0007814200000000 ] - [ -0.0005140600000000, 0.0004957600000000, 0.0010598700000000 ] - [ 0.0000140200000000, 0.0000643900000000, 0.0005529000000000 ] - [ 0.0009284800000000, -0.0006708800000000, -0.0008186800000000 ] - [ -0.0001676800000000, 0.0000509500000000, 0.0003304600000000 ] - [ 0.0022994000000000, 0.0005911600000000, -0.0007818100000000 ] - [ 0.0003578300000000, -0.0002070900000000, 0.0001781500000000 ] - [ -0.0001900100000000, -0.0000479100000000, -0.0008572100000000 ] - [ -0.0001408200000000, -0.0013572800000000, -0.0010349200000000 ] - [ 0.0008626700000000, -0.0005044400000000, 0.0009066500000000 ] - [ -0.0000669600000000, 0.0000913100000000, 0.0001767900000000 ] - [ -0.0001072300000000, -0.0002530200000000, -0.0003286800000000 ] - [ -0.0002922500000000, 0.0006225000000000, 0.0003510700000000 ]- atom: 60 displacement: [ 0.0020506787268925, 0.0000000000000000, -0.0097874775483303 ] forces: - [ -0.0007358800000000, -0.0006872100000000, -0.0001716200000000 ] - [ 0.0000727800000000, -0.0000690700000000, 0.0001735100000000 ] - [ -0.0000258400000000, 0.0001364200000000, -0.0000190000000000 ] - [ 0.0003222900000000, -0.0000066900000000, 0.0004656900000000 ] - [ 0.0004296800000000, 0.0005402500000000, 0.0001923100000000 ] - [ -0.0002268700000000, 0.0007705300000000, -0.0005918000000000 ] - [ 0.0001341200000000, 0.0002231500000000, -0.0005830300000000 ] - [ 0.0007326200000000, -0.0006658900000000, 0.0008098700000000 ] - [ -0.0001211600000000, -0.0000561300000000, -0.0000714800000000 ] - [ -0.0003114100000000, 0.0002665900000000, 0.0004189200000000 ] - [ 0.0000306000000000, -0.0000201800000000, 0.0003938400000000 ] - [ 0.0000996900000000, 0.0001712300000000, 0.0002046600000000 ] - [ -0.0002189800000000, 0.0000262600000000, -0.0001095000000000 ] - [ -0.0003564200000000, -0.0002241200000000, 0.0005767200000000 ] - [ 0.0008621600000000, -0.0011405100000000, -0.0001055200000000 ] - [ -0.0005349300000000, -0.0002562100000000, 0.0005767300000000 ] - [ 0.0003969300000000, 0.0000376900000000, 0.0001471000000000 ] - [ -0.0000987200000000, -0.0000528700000000, 0.0001320800000000 ] - [ -0.0002840000000000, 0.0000827100000000, -0.0004477500000000 ] - [ 0.0000035200000000, -0.0000785900000000, -0.0001634900000000 ] - [ 0.0016954500000000, -0.0005484800000000, -0.0045599600000000 ] - [ 0.0000826400000000, 0.0001768000000000, 0.0006814800000000 ] - [ -0.0004277300000000, 0.0001990100000000, 0.0010039600000000 ] - [ 0.0040555600000000, 0.0021182200000000, -0.0070704600000000 ] - [ 0.0000753900000000, 0.0002273700000000, 0.0004649000000000 ] - [ -0.0004938100000000, 0.0004658900000000, 0.0000815500000000 ] - [ 0.0011407600000000, -0.0001491100000000, -0.0005735100000000 ] - [ 0.0003890700000000, -0.0002724200000000, 0.0002780300000000 ] - [ 0.0001424700000000, -0.0014229900000000, -0.0014121400000000 ] - [ -0.0002321600000000, -0.0007862500000000, -0.0003477000000000 ] - [ 0.0000332500000000, -0.0001496500000000, 0.0008123400000000 ] - [ 0.0002854500000000, 0.0002583300000000, 0.0004068800000000 ] - [ 0.0005739300000000, 0.0007539800000000, -0.0001213400000000 ] - [ -0.0000014700000000, 0.0004628100000000, 0.0006261200000000 ] - [ 0.0212481300000000, -0.0293508200000000, -0.0305494500000000 ] - [ -0.0012364200000000, 0.0033379500000000, 0.0016243800000000 ] - [ 0.0013088600000000, 0.0009338500000000, -0.0005779200000000 ] - [ -0.0002650100000000, -0.0006570200000000, 0.0003570800000000 ] - [ 0.0001350900000000, -0.0001721600000000, -0.0004594100000000 ] - [ -0.0003937800000000, -0.0000833500000000, 0.0004683700000000 ] - [ 0.0000423900000000, 0.0000550500000000, -0.0001796100000000 ] - [ 0.0003518800000000, 0.0003505600000000, -0.0000704400000000 ] - [ 0.0000334200000000, 0.0000319100000000, -0.0001443200000000 ] - [ 0.0030200800000000, -0.0033385100000000, 0.0037559700000000 ] - [ 0.0008626600000000, -0.0004417700000000, 0.0012575400000000 ] - [ -0.0001766100000000, -0.0000392700000000, 0.0000744500000000 ] - [ -0.0001207000000000, -0.0001756800000000, -0.0001601800000000 ] - [ -0.0000255400000000, -0.0001898400000000, -0.0002326400000000 ] - [ -0.0001022400000000, 0.0000895500000000, -0.0001460000000000 ] - [ -0.0003457100000000, -0.0005291300000000, 0.0004932300000000 ] - [ 0.0004423900000000, -0.0000681000000000, -0.0001509400000000 ] - [ 0.0001641700000000, -0.0001912000000000, -0.0003931500000000 ] - [ -0.0002634700000000, 0.0004914900000000, -0.0001565200000000 ] - [ -0.0000756600000000, -0.0001075900000000, -0.0001587700000000 ] - [ 0.0001017100000000, 0.0001518100000000, -0.0005689400000000 ] - [ 0.0005017400000000, 0.0001492300000000, 0.0008189800000000 ] - [ 0.0000330800000000, -0.0002543500000000, -0.0004311100000000 ] - [ -0.0018513700000000, -0.0018382700000000, 0.0038713400000000 ] - [ -0.0000974400000000, -0.0002151800000000, -0.0003762100000000 ] - [ -0.0336160900000000, 0.0375228300000000, 0.0500356900000000 ] - [ -0.0001506100000000, -0.0001805700000000, -0.0002149700000000 ] - [ -0.0002309800000000, 0.0001061300000000, -0.0001629900000000 ] - [ 0.0050924000000000, -0.0088309500000000, -0.0065537700000000 ] - [ -0.0003059900000000, -0.0000377000000000, -0.0003525000000000 ] - [ 0.0008043900000000, 0.0035310200000000, -0.0099114100000000 ] - [ 0.0000805800000000, 0.0000595800000000, -0.0003801000000000 ] - [ -0.0001330200000000, 0.0001707500000000, -0.0005824500000000 ] - [ 0.0003856300000000, -0.0001622200000000, 0.0000673900000000 ] - [ -0.0006246300000000, -0.0002486600000000, -0.0004898100000000 ] - [ 0.0000299600000000, 0.0001632200000000, -0.0005879500000000 ] - [ 0.0002467600000000, -0.0008943800000000, -0.0012219700000000 ] - [ 0.0000774800000000, -0.0012090100000000, -0.0006029400000000 ] - [ 0.0003432500000000, -0.0005407700000000, -0.0009438800000000 ] - [ 0.0001312300000000, -0.0002511800000000, -0.0001004000000000 ] - [ -0.0010853700000000, 0.0009811200000000, 0.0004129800000000 ] - [ 0.0000850700000000, 0.0003852100000000, -0.0001452500000000 ] - [ -0.0028621200000000, -0.0006106600000000, 0.0007864500000000 ] - [ 0.0000027800000000, 0.0000841300000000, 0.0000726300000000 ] - [ -0.0001792300000000, 0.0001724200000000, 0.0006062100000000 ] - [ 0.0005608800000000, 0.0010287300000000, 0.0008857200000000 ] - [ -0.0002864500000000, 0.0005252400000000, -0.0009085500000000 ] - [ 0.0000540000000000, 0.0000771700000000, -0.0001594000000000 ] - [ 0.0001446200000000, 0.0003885300000000, 0.0004893600000000 ] - [ 0.0006548500000000, -0.0004999800000000, -0.0001022500000000 ]