# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0bde1f57-b021-4b09-a12d-b1a6be254ecb/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 Sm4Se3O4 / Amm2 (38) / materials id 550117](https://mdr.nims.go.jp/datasets/14571890-2dca-42c3-95a9-62bcc4709763) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Amm2" number: 38 Hall_symbol: "A 2 -2"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.500000000000000, -0.500000000000000 ]- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.313603840000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 1.958568650000000, 6.312909095000000 ] # b - [ 0.000000000000000, -1.958568650000000, 6.312909095000000 ] # c points: - symbol: Sm # 1 coordinates: [ 0.235721200000000, 0.682473780000000, 0.682473780000000 ] mass: 150.360000 - symbol: Sm # 2 coordinates: [ 0.764278800000000, 0.682473780000000, 0.682473780000000 ] mass: 150.360000 - symbol: Sm # 3 coordinates: [ 0.500000000000000, 0.018978500000000, 0.018978500000000 ] mass: 150.360000 - symbol: Sm # 4 coordinates: [ 0.000000000000000, 0.999168970000000, 0.999168970000000 ] mass: 150.360000 - symbol: O # 5 coordinates: [ 0.500000000000000, 0.617697780000000, 0.617697780000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.756639340000000, 0.086958070000000, 0.086958070000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.585500140000000, 0.585500140000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.243360660000000, 0.086958070000000, 0.086958070000000 ] mass: 15.999400 - symbol: Se # 9 coordinates: [ 0.000000000000000, 0.304963770000000, 0.304963770000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.647910780000000, 0.358698660000000, 0.358698660000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.352089220000000, 0.358698660000000, 0.358698660000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.120284778929278, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.255288473038716, 0.079202787886810 ] # b* - [ 0.000000000000000, -0.255288473038716, 0.079202787886810 ] # c*unit_cell: lattice: - [ 8.313603840000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.917137300000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.625818190000000 ] # c points: - symbol: Sm # 1 coordinates: [ 0.235721200000000, 0.500000000000000, 0.182473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 2 coordinates: [ 0.764278800000000, 0.500000000000000, 0.182473780000000 ] mass: 150.360000 reduced_to: 2 - symbol: Sm # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.018978500000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.999168970000000 ] mass: 150.360000 reduced_to: 4 - symbol: Sm # 5 coordinates: [ 0.235721200000000, 0.000000000000000, 0.682473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 6 coordinates: [ 0.764278800000000, 0.000000000000000, 0.682473780000000 ] mass: 150.360000 reduced_to: 2 - symbol: Sm # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.518978500000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.499168970000000 ] mass: 150.360000 reduced_to: 4 - symbol: O # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.117697780000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.756639340000000, 0.000000000000000, 0.086958070000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.085500140000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.243360660000000, 0.000000000000000, 0.086958070000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.500000000000000, 0.000000000000000, 0.617697780000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 14 coordinates: [ 0.756639340000000, 0.500000000000000, 0.586958070000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.585500140000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 16 coordinates: [ 0.243360660000000, 0.500000000000000, 0.586958070000000 ] mass: 15.999400 reduced_to: 12 - symbol: Se # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.304963770000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.647910780000000, 0.000000000000000, 0.358698660000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.352089220000000, 0.000000000000000, 0.358698660000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.804963770000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 21 coordinates: [ 0.647910780000000, 0.500000000000000, 0.858698660000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 22 coordinates: [ 0.352089220000000, 0.500000000000000, 0.858698660000000 ] mass: 78.960000 reduced_to: 19supercell: lattice: - [ 16.627207680000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.751411899999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.625818190000000 ] # c points: - symbol: Sm # 1 coordinates: [ 0.117860600000000, 0.166666666666667, 0.182473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 2 coordinates: [ 0.617860600000000, 0.166666666666667, 0.182473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 3 coordinates: [ 0.117860600000000, 0.500000000000000, 0.182473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 4 coordinates: [ 0.617860600000000, 0.500000000000000, 0.182473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 5 coordinates: [ 0.117860600000000, 0.833333333333333, 0.182473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 6 coordinates: [ 0.617860600000000, 0.833333333333333, 0.182473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 7 coordinates: [ 0.382139400000000, 0.166666666666667, 0.182473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 8 coordinates: [ 0.882139400000000, 0.166666666666667, 0.182473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 9 coordinates: [ 0.382139400000000, 0.500000000000000, 0.182473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 10 coordinates: [ 0.882139400000000, 0.500000000000000, 0.182473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 11 coordinates: [ 0.382139400000000, 0.833333333333333, 0.182473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 12 coordinates: [ 0.882139400000000, 0.833333333333333, 0.182473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 13 coordinates: [ 0.250000000000000, 0.000000000000000, 0.018978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 14 coordinates: [ 0.750000000000000, 0.000000000000000, 0.018978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 15 coordinates: [ 0.250000000000000, 0.333333333333333, 0.018978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 16 coordinates: [ 0.750000000000000, 0.333333333333333, 0.018978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 17 coordinates: [ 0.250000000000000, 0.666666666666667, 0.018978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 18 coordinates: [ 0.750000000000000, 0.666666666666667, 0.018978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.999168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.999168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 21 coordinates: [ 0.000000000000000, 0.333333333333333, 0.999168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 22 coordinates: [ 0.500000000000000, 0.333333333333333, 0.999168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 23 coordinates: [ 0.000000000000000, 0.666666666666667, 0.999168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 24 coordinates: [ 0.500000000000000, 0.666666666666667, 0.999168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 25 coordinates: [ 0.117860600000000, 0.000000000000000, 0.682473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 26 coordinates: [ 0.617860600000000, 0.000000000000000, 0.682473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 27 coordinates: [ 0.117860600000000, 0.333333333333333, 0.682473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 28 coordinates: [ 0.617860600000000, 0.333333333333333, 0.682473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 29 coordinates: [ 0.117860600000000, 0.666666666666667, 0.682473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 30 coordinates: [ 0.617860600000000, 0.666666666666667, 0.682473780000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 31 coordinates: [ 0.382139400000000, 0.000000000000000, 0.682473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 32 coordinates: [ 0.882139400000000, 0.000000000000000, 0.682473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 33 coordinates: [ 0.382139400000000, 0.333333333333333, 0.682473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 34 coordinates: [ 0.882139400000000, 0.333333333333333, 0.682473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 35 coordinates: [ 0.382139400000000, 0.666666666666667, 0.682473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 36 coordinates: [ 0.882139400000000, 0.666666666666667, 0.682473780000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 37 coordinates: [ 0.250000000000000, 0.166666666666667, 0.518978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 38 coordinates: [ 0.750000000000000, 0.166666666666667, 0.518978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 39 coordinates: [ 0.250000000000000, 0.500000000000000, 0.518978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 40 coordinates: [ 0.750000000000000, 0.500000000000000, 0.518978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 41 coordinates: [ 0.250000000000000, 0.833333333333333, 0.518978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 42 coordinates: [ 0.750000000000000, 0.833333333333333, 0.518978500000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 43 coordinates: [ 0.000000000000000, 0.166666666666667, 0.499168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 44 coordinates: [ 0.500000000000000, 0.166666666666667, 0.499168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 45 coordinates: [ 0.000000000000000, 0.500000000000000, 0.499168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.499168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 47 coordinates: [ 0.000000000000000, 0.833333333333333, 0.499168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: Sm # 48 coordinates: [ 0.500000000000000, 0.833333333333333, 0.499168970000000 ] mass: 150.360000 reduced_to: 19 - symbol: O # 49 coordinates: [ 0.250000000000000, 0.166666666666667, 0.117697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.750000000000000, 0.166666666666667, 0.117697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.250000000000000, 0.500000000000000, 0.117697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.750000000000000, 0.500000000000000, 0.117697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.250000000000000, 0.833333333333333, 0.117697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.750000000000000, 0.833333333333333, 0.117697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.378319670000000, 0.000000000000000, 0.086958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.878319670000000, 0.000000000000000, 0.086958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.378319670000000, 0.333333333333333, 0.086958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.878319670000000, 0.333333333333333, 0.086958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 59 coordinates: [ 0.378319670000000, 0.666666666666667, 0.086958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 60 coordinates: [ 0.878319670000000, 0.666666666666667, 0.086958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.166666666666667, 0.085500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.166666666666667, 0.085500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.085500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.500000000000000, 0.500000000000000, 0.085500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.000000000000000, 0.833333333333333, 0.085500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.833333333333333, 0.085500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.121680330000000, 0.000000000000000, 0.086958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.621680330000000, 0.000000000000000, 0.086958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.121680330000000, 0.333333333333333, 0.086958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.621680330000000, 0.333333333333333, 0.086958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 71 coordinates: [ 0.121680330000000, 0.666666666666667, 0.086958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 72 coordinates: [ 0.621680330000000, 0.666666666666667, 0.086958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 73 coordinates: [ 0.250000000000000, 0.000000000000000, 0.617697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.750000000000000, 0.000000000000000, 0.617697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.250000000000000, 0.333333333333333, 0.617697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.750000000000000, 0.333333333333333, 0.617697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.250000000000000, 0.666666666666667, 0.617697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 78 coordinates: [ 0.750000000000000, 0.666666666666667, 0.617697780000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 79 coordinates: [ 0.378319670000000, 0.166666666666667, 0.586958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.878319670000000, 0.166666666666667, 0.586958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 81 coordinates: [ 0.378319670000000, 0.500000000000000, 0.586958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 82 coordinates: [ 0.878319670000000, 0.500000000000000, 0.586958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 83 coordinates: [ 0.378319670000000, 0.833333333333333, 0.586958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 84 coordinates: [ 0.878319670000000, 0.833333333333333, 0.586958070000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.585500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.000000000000000, 0.585500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.333333333333333, 0.585500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.333333333333333, 0.585500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 89 coordinates: [ 0.000000000000000, 0.666666666666667, 0.585500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 90 coordinates: [ 0.500000000000000, 0.666666666666667, 0.585500140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 91 coordinates: [ 0.121680330000000, 0.166666666666667, 0.586958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 92 coordinates: [ 0.621680330000000, 0.166666666666667, 0.586958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 93 coordinates: [ 0.121680330000000, 0.500000000000000, 0.586958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 94 coordinates: [ 0.621680330000000, 0.500000000000000, 0.586958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 95 coordinates: [ 0.121680330000000, 0.833333333333333, 0.586958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 96 coordinates: [ 0.621680330000000, 0.833333333333333, 0.586958070000000 ] mass: 15.999400 reduced_to: 67 - symbol: Se # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.304963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 98 coordinates: [ 0.500000000000000, 0.000000000000000, 0.304963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 99 coordinates: [ 0.000000000000000, 0.333333333333333, 0.304963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 100 coordinates: [ 0.500000000000000, 0.333333333333333, 0.304963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 101 coordinates: [ 0.000000000000000, 0.666666666666667, 0.304963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 102 coordinates: [ 0.500000000000000, 0.666666666666667, 0.304963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 103 coordinates: [ 0.323955390000000, 0.000000000000000, 0.358698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 104 coordinates: [ 0.823955390000000, 0.000000000000000, 0.358698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 105 coordinates: [ 0.323955390000000, 0.333333333333333, 0.358698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 106 coordinates: [ 0.823955390000000, 0.333333333333333, 0.358698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 107 coordinates: [ 0.323955390000000, 0.666666666666667, 0.358698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 108 coordinates: [ 0.823955390000000, 0.666666666666667, 0.358698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 109 coordinates: [ 0.176044610000000, 0.000000000000000, 0.358698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 110 coordinates: [ 0.676044610000000, 0.000000000000000, 0.358698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 111 coordinates: [ 0.176044610000000, 0.333333333333333, 0.358698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 112 coordinates: [ 0.676044610000000, 0.333333333333333, 0.358698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 113 coordinates: [ 0.176044610000000, 0.666666666666667, 0.358698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 114 coordinates: [ 0.676044610000000, 0.666666666666667, 0.358698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 115 coordinates: [ 0.000000000000000, 0.166666666666667, 0.804963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 116 coordinates: [ 0.500000000000000, 0.166666666666667, 0.804963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 117 coordinates: [ 0.000000000000000, 0.500000000000000, 0.804963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 118 coordinates: [ 0.500000000000000, 0.500000000000000, 0.804963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 119 coordinates: [ 0.000000000000000, 0.833333333333333, 0.804963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 120 coordinates: [ 0.500000000000000, 0.833333333333333, 0.804963770000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 121 coordinates: [ 0.323955390000000, 0.166666666666667, 0.858698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 122 coordinates: [ 0.823955390000000, 0.166666666666667, 0.858698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 123 coordinates: [ 0.323955390000000, 0.500000000000000, 0.858698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 124 coordinates: [ 0.823955390000000, 0.500000000000000, 0.858698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 125 coordinates: [ 0.323955390000000, 0.833333333333333, 0.858698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 126 coordinates: [ 0.823955390000000, 0.833333333333333, 0.858698660000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 127 coordinates: [ 0.176044610000000, 0.166666666666667, 0.858698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 128 coordinates: [ 0.676044610000000, 0.166666666666667, 0.858698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 129 coordinates: [ 0.176044610000000, 0.500000000000000, 0.858698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 130 coordinates: [ 0.676044610000000, 0.500000000000000, 0.858698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 131 coordinates: [ 0.176044610000000, 0.833333333333333, 0.858698660000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 132 coordinates: [ 0.676044610000000, 0.833333333333333, 0.858698660000000 ] mass: 78.960000 reduced_to: 109born_effective_charge:- # 1 (Sm) - [ 4.582267590000000, -0.000000000000000, -0.218834960000000 ] - [ -0.000000000000000, 4.577868880000000, -0.000000000000000 ] - [ -0.342536560000000, -0.000000000000000, 3.692305830000000 ]- # 2 (Sm) - [ 4.582267590000000, -0.000000000000000, 0.218834960000000 ] - [ -0.000000000000000, 4.577868880000000, 0.000000000000000 ] - [ 0.342536560000000, 0.000000000000000, 3.692305830000000 ]- # 3 (Sm) - [ 3.555643480000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.506258160000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 3.804478710000000 ]- # 4 (Sm) - [ 4.814887160000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.664250110000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 3.870685700000000 ]- # 5 (O) - [ -2.830895960000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.866178270000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.562343440000000 ]- # 6 (O) - [ -2.595317210000000, -0.000000000000000, -0.643841460000000 ] - [ -0.000000000000000, -2.937186920000000, 0.000000000000000 ] - [ -0.310454890000000, 0.000000000000000, -2.588730270000000 ]- # 7 (O) - [ -2.156573990000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.225990960000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.645934460000000 ]- # 8 (O) - [ -2.595317210000000, -0.000000000000000, 0.643841460000000 ] - [ -0.000000000000000, -2.937186920000000, -0.000000000000000 ] - [ 0.310454890000000, -0.000000000000000, -2.588730270000000 ]- # 9 (Se) - [ -9.059659760000001, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.652141970000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.722820060000000 ]- # 10 (Se) - [ 0.851349150000000, -0.000000000000000, -2.354413660000000 ] - [ 0.000000000000000, -1.853780490000000, 0.000000000000000 ] - [ 0.113456800000000, 0.000000000000000, -1.475608780000000 ]- # 11 (Se) - [ 0.851349150000000, -0.000000000000000, 2.354413660000000 ] - [ 0.000000000000000, -1.853780490000000, -0.000000000000000 ] - [ -0.113456800000000, -0.000000000000000, -1.475608780000000 ]dielectric_constant: - [ 21.296826129999999, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.497617340000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.470341850000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1208593100000000, 0.0000000000000000, -0.0094758300000000 ] - [ 0.0029433900000000, 0.0000000000000000, -0.0011516300000000 ] - [ -0.0043908100000000, 0.0006948200000000, -0.0012331000000000 ] - [ 0.0019120300000000, -0.0000685700000000, -0.0015309500000000 ] - [ -0.0043908100000000, -0.0006948200000000, -0.0012331000000000 ] - [ 0.0019120300000000, 0.0000685700000000, -0.0015309500000000 ] - [ 0.0170976400000000, 0.0000000000000000, 0.0019614800000000 ] - [ 0.0182778800000000, 0.0000000000000000, -0.0059351500000000 ] - [ 0.0008673400000000, 0.0017739900000000, -0.0007796600000000 ] - [ 0.0010539600000000, -0.0022554700000000, -0.0013773200000000 ] - [ 0.0008673400000000, -0.0017739900000000, -0.0007796600000000 ] - [ 0.0010539600000000, 0.0022554700000000, -0.0013773200000000 ] - [ 0.0029436700000000, -0.0194148500000000, -0.0126620100000000 ] - [ 0.0022920200000000, 0.0005534600000000, 0.0027342400000000 ] - [ 0.0029436700000000, 0.0194148500000000, -0.0126620100000000 ] - [ 0.0022920200000000, -0.0005534600000000, 0.0027342400000000 ] - [ -0.0006936900000000, 0.0000000000000000, 0.0014001200000000 ] - [ 0.0008495400000000, 0.0000000000000000, 0.0022099900000000 ] - [ -0.0004898000000000, 0.0172397100000000, 0.0098470000000000 ] - [ 0.0025059800000000, -0.0006682100000000, -0.0017610900000000 ] - [ -0.0004898000000000, -0.0172397100000000, 0.0098470000000000 ] - [ 0.0025059800000000, 0.0006682100000000, -0.0017610900000000 ] - [ -0.0010947100000000, 0.0000000000000000, -0.0003203900000000 ] - [ 0.0009746400000000, 0.0000000000000000, -0.0012594300000000 ] - [ -0.0020457600000000, -0.0003013900000000, -0.0017841400000000 ] - [ 0.0015760300000000, -0.0000006000000000, -0.0018434100000000 ] - [ -0.0020457600000000, 0.0003013900000000, -0.0017841400000000 ] - [ 0.0015760300000000, 0.0000006000000000, -0.0018434100000000 ] - [ -0.0016956700000000, 0.0000000000000000, -0.0020736600000000 ] - [ 0.0014665400000000, 0.0000000000000000, -0.0017964500000000 ] - [ 0.0005113900000000, -0.0004541300000000, -0.0018114700000000 ] - [ -0.0001573000000000, 0.0002467700000000, -0.0021246200000000 ] - [ 0.0005113900000000, 0.0004541300000000, -0.0018114700000000 ] - [ -0.0001573000000000, -0.0002467700000000, -0.0021246200000000 ] - [ 0.0003102700000000, 0.0000000000000000, -0.0018125000000000 ] - [ -0.0001285300000000, 0.0000000000000000, -0.0021114600000000 ] - [ 0.0001816400000000, 0.0000000000000000, 0.0034357800000000 ] - [ 0.0008958200000000, 0.0000000000000000, 0.0011029200000000 ] - [ 0.0000228000000000, 0.0011869800000000, 0.0026074600000000 ] - [ 0.0008555900000000, -0.0004301600000000, 0.0012447000000000 ] - [ 0.0000228000000000, -0.0011869800000000, 0.0026074600000000 ] - [ 0.0008555900000000, 0.0004301600000000, 0.0012447000000000 ] - [ -0.0016026300000000, 0.0000000000000000, -0.0044290700000000 ] - [ 0.0013210800000000, 0.0000000000000000, -0.0011010700000000 ] - [ -0.0017228400000000, -0.0015509300000000, -0.0029893800000000 ] - [ 0.0011206000000000, 0.0002074600000000, -0.0010601700000000 ] - [ -0.0017228400000000, 0.0015509300000000, -0.0029893800000000 ] - [ 0.0011206000000000, -0.0002074600000000, -0.0010601700000000 ] - [ 0.0195574500000000, 0.0000000000000000, -0.0027160600000000 ] - [ -0.0028734100000000, 0.0000000000000000, -0.0009663300000000 ] - [ 0.0011435400000000, -0.0021392000000000, -0.0008402200000000 ] - [ -0.0012708700000000, 0.0004349400000000, -0.0000432700000000 ] - [ 0.0011435400000000, 0.0021392000000000, -0.0008402200000000 ] - [ -0.0012708700000000, -0.0004349400000000, -0.0000432700000000 ] - [ -0.0041970100000000, 0.0034736200000000, 0.0008921500000000 ] - [ -0.0037076200000000, -0.0033138000000000, -0.0009152100000000 ] - [ -0.0041970100000000, -0.0034736200000000, 0.0008921500000000 ] - [ -0.0037076200000000, 0.0033138000000000, -0.0009152100000000 ] - [ -0.0008273800000000, 0.0000000000000000, 0.0001655600000000 ] - [ -0.0005564300000000, 0.0000000000000000, -0.0008166700000000 ] - [ 0.0244173400000000, 0.0000000000000000, 0.0106969800000000 ] - [ -0.0030088600000000, 0.0000000000000000, 0.0017696600000000 ] - [ 0.0017828700000000, 0.0017943300000000, 0.0013671600000000 ] - [ -0.0011454200000000, -0.0005135000000000, 0.0005570100000000 ] - [ 0.0017828700000000, -0.0017943300000000, 0.0013671600000000 ] - [ -0.0011454200000000, 0.0005135000000000, 0.0005570100000000 ] - [ 0.0182726700000000, -0.0005066300000000, 0.0009699000000000 ] - [ -0.0011723500000000, -0.0000166300000000, -0.0002966400000000 ] - [ 0.0182726700000000, 0.0005066300000000, 0.0009699000000000 ] - [ -0.0011723500000000, 0.0000166300000000, -0.0002966400000000 ] - [ 0.0019109200000000, 0.0000000000000000, -0.0001515000000000 ] - [ -0.0005015800000000, 0.0000000000000000, -0.0001945500000000 ] - [ 0.0003233400000000, 0.0003020100000000, -0.0006771600000000 ] - [ -0.0005905600000000, -0.0000814300000000, 0.0003986600000000 ] - [ 0.0003233400000000, -0.0003020100000000, -0.0006771600000000 ] - [ -0.0005905600000000, 0.0000814300000000, 0.0003986600000000 ] - [ 0.0004807800000000, 0.0000000000000000, -0.0003601600000000 ] - [ -0.0005008100000000, 0.0000000000000000, 0.0003120900000000 ] - [ -0.0011927700000000, 0.0000000000000000, -0.0000222300000000 ] - [ -0.0007372700000000, 0.0000000000000000, 0.0000746200000000 ] - [ -0.0009995300000000, -0.0002007600000000, -0.0001174000000000 ] - [ -0.0007126200000000, 0.0001157400000000, 0.0001457400000000 ] - [ -0.0009995300000000, 0.0002007600000000, -0.0001174000000000 ] - [ -0.0007126200000000, -0.0001157400000000, 0.0001457400000000 ] - [ 0.0009411700000000, -0.0003768300000000, 0.0020370400000000 ] - [ -0.0007686800000000, 0.0000551300000000, 0.0007406000000000 ] - [ 0.0009411700000000, 0.0003768300000000, 0.0020370400000000 ] - [ -0.0007686800000000, -0.0000551300000000, 0.0007406000000000 ] - [ 0.0007321700000000, 0.0000000000000000, 0.0016145100000000 ] - [ -0.0006748900000000, 0.0000000000000000, 0.0007433000000000 ] - [ 0.0025152400000000, 0.0000000000000000, -0.0003387200000000 ] - [ -0.0005506000000000, 0.0000000000000000, 0.0000814500000000 ] - [ 0.0022039600000000, -0.0004425700000000, -0.0003548000000000 ] - [ -0.0004743200000000, 0.0000309000000000, 0.0000236400000000 ] - [ 0.0022039600000000, 0.0004425700000000, -0.0003548000000000 ] - [ -0.0004743200000000, -0.0000309000000000, 0.0000236400000000 ] - [ 0.0043507200000000, -0.0000676300000000, 0.0031675300000000 ] - [ -0.0016950600000000, 0.0006046700000000, 0.0010172000000000 ] - [ 0.0043507200000000, 0.0000676300000000, 0.0031675300000000 ] - [ -0.0016950600000000, -0.0006046700000000, 0.0010172000000000 ] - [ 0.0006290700000000, 0.0000000000000000, 0.0024714100000000 ] - [ -0.0005800000000000, 0.0000000000000000, 0.0021130400000000 ] - [ 0.0036252700000000, 0.0004748300000000, -0.0001949600000000 ] - [ 0.0013750200000000, -0.0007431800000000, 0.0006469200000000 ] - [ 0.0036252700000000, -0.0004748300000000, -0.0001949600000000 ] - [ 0.0013750200000000, 0.0007431800000000, 0.0006469200000000 ] - [ 0.0015007700000000, 0.0000000000000000, -0.0001963300000000 ] - [ 0.0007818700000000, 0.0000000000000000, 0.0000981300000000 ] - [ -0.0020016100000000, -0.0015789100000000, 0.0016105800000000 ] - [ -0.0003507700000000, 0.0000940100000000, 0.0002463700000000 ] - [ -0.0020016100000000, 0.0015789100000000, 0.0016105800000000 ] - [ -0.0003507700000000, -0.0000940100000000, 0.0002463700000000 ] - [ -0.0017531800000000, 0.0000000000000000, -0.0001069200000000 ] - [ -0.0005760100000000, 0.0000000000000000, -0.0001287100000000 ] - [ 0.0006570300000000, 0.0000000000000000, 0.0010705000000000 ] - [ -0.0007515700000000, 0.0000000000000000, 0.0024829800000000 ] - [ 0.0005233200000000, 0.0006520000000000, 0.0017080900000000 ] - [ -0.0005046300000000, -0.0000852300000000, 0.0023973100000000 ] - [ 0.0005233200000000, -0.0006520000000000, 0.0017080900000000 ] - [ -0.0005046300000000, 0.0000852300000000, 0.0023973100000000 ] - [ 0.0014108600000000, 0.0000000000000000, 0.0014369400000000 ] - [ 0.0006052800000000, 0.0000000000000000, -0.0003602200000000 ] - [ 0.0012618600000000, -0.0006187100000000, 0.0005458000000000 ] - [ 0.0007371500000000, 0.0000930400000000, -0.0002385800000000 ] - [ 0.0012618600000000, 0.0006187100000000, 0.0005458000000000 ] - [ 0.0007371500000000, -0.0000930400000000, -0.0002385800000000 ] - [ -0.0014497100000000, 0.0000000000000000, 0.0017009700000000 ] - [ -0.0005516600000000, 0.0000000000000000, -0.0004190900000000 ] - [ -0.0013134500000000, -0.0007019700000000, 0.0006675900000000 ] - [ -0.0006695600000000, 0.0000724300000000, -0.0002862900000000 ] - [ -0.0013134500000000, 0.0007019700000000, 0.0006675900000000 ] - [ -0.0006695600000000, -0.0000724300000000, -0.0002862900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1219482300000000, 0.0000000000000000, 0.0079313500000000 ] - [ -0.0020104700000000, 0.0000000000000000, -0.0022620200000000 ] - [ 0.0053235400000000, -0.0007651200000000, -0.0022174200000000 ] - [ -0.0009804700000000, 0.0000665300000000, -0.0018937000000000 ] - [ 0.0053235400000000, 0.0007651200000000, -0.0022174200000000 ] - [ -0.0009804700000000, -0.0000665300000000, -0.0018937000000000 ] - [ -0.0178381800000000, 0.0000000000000000, -0.0053669900000000 ] - [ -0.0194711600000000, 0.0000000000000000, 0.0025290600000000 ] - [ -0.0017940700000000, -0.0017636400000000, -0.0026430600000000 ] - [ -0.0019839900000000, 0.0022643200000000, -0.0020395700000000 ] - [ -0.0017940700000000, 0.0017636400000000, -0.0026430600000000 ] - [ -0.0019839900000000, -0.0022643200000000, -0.0020395700000000 ] - [ -0.0029573900000000, 0.0192039100000000, 0.0160534100000000 ] - [ -0.0022966700000000, -0.0005586800000000, 0.0008176800000000 ] - [ -0.0029573900000000, -0.0192039100000000, 0.0160534100000000 ] - [ -0.0022966700000000, 0.0005586800000000, 0.0008176800000000 ] - [ 0.0006878800000000, 0.0000000000000000, 0.0021568000000000 ] - [ -0.0008445800000000, 0.0000000000000000, 0.0013456000000000 ] - [ 0.0005276100000000, -0.0173912500000000, -0.0121290300000000 ] - [ -0.0024975100000000, 0.0006569700000000, -0.0004257100000000 ] - [ 0.0005276100000000, 0.0173912500000000, -0.0121290300000000 ] - [ -0.0024975100000000, -0.0006569700000000, -0.0004257100000000 ] - [ 0.0010967200000000, 0.0000000000000000, -0.0018578100000000 ] - [ -0.0009758000000000, 0.0000000000000000, -0.0009226500000000 ] - [ 0.0029823000000000, 0.0002990600000000, -0.0016580900000000 ] - [ -0.0006434100000000, -0.0000027300000000, -0.0015922300000000 ] - [ 0.0029823000000000, -0.0002990600000000, -0.0016580900000000 ] - [ -0.0006434100000000, 0.0000027300000000, -0.0015922300000000 ] - [ 0.0026346300000000, 0.0000000000000000, -0.0013650800000000 ] - [ -0.0005379500000000, 0.0000000000000000, -0.0016403500000000 ] - [ -0.0014436400000000, 0.0004511400000000, -0.0016254700000000 ] - [ -0.0007780100000000, -0.0002484400000000, -0.0013108100000000 ] - [ -0.0014436400000000, -0.0004511400000000, -0.0016254700000000 ] - [ -0.0007780100000000, 0.0002484400000000, -0.0013108100000000 ] - [ -0.0012397400000000, 0.0000000000000000, -0.0016267800000000 ] - [ -0.0008080700000000, 0.0000000000000000, -0.0013212700000000 ] - [ -0.0001979200000000, 0.0000000000000000, 0.0001084400000000 ] - [ -0.0008971500000000, 0.0000000000000000, 0.0024441200000000 ] - [ -0.0000342200000000, -0.0011950800000000, 0.0009333800000000 ] - [ -0.0008570300000000, 0.0004285200000000, 0.0023034200000000 ] - [ -0.0000342200000000, 0.0011950800000000, 0.0009333800000000 ] - [ -0.0008570300000000, -0.0004285200000000, 0.0023034200000000 ] - [ 0.0016076100000000, 0.0000000000000000, 0.0022445800000000 ] - [ -0.0013193800000000, 0.0000000000000000, -0.0010879600000000 ] - [ 0.0017225500000000, 0.0015503100000000, 0.0007948700000000 ] - [ -0.0011193300000000, -0.0002016900000000, -0.0011214700000000 ] - [ 0.0017225500000000, -0.0015503100000000, 0.0007948700000000 ] - [ -0.0011193300000000, 0.0002016900000000, -0.0011214700000000 ] - [ -0.0176339200000000, 0.0000000000000000, 0.0021035600000000 ] - [ 0.0028838900000000, 0.0000000000000000, 0.0011189900000000 ] - [ -0.0011297500000000, 0.0021283100000000, 0.0009780800000000 ] - [ 0.0012678400000000, -0.0004391800000000, 0.0001882100000000 ] - [ -0.0011297500000000, -0.0021283100000000, 0.0009780800000000 ] - [ 0.0012678400000000, 0.0004391800000000, 0.0001882100000000 ] - [ 0.0034060700000000, -0.0034492500000000, -0.0010779500000000 ] - [ 0.0029606800000000, 0.0033367500000000, 0.0007302800000000 ] - [ 0.0034060700000000, 0.0034492500000000, -0.0010779500000000 ] - [ 0.0029606800000000, -0.0033367500000000, 0.0007302800000000 ] - [ 0.0000623200000000, 0.0000000000000000, -0.0003601300000000 ] - [ -0.0002117300000000, 0.0000000000000000, 0.0006209100000000 ] - [ -0.0260690100000000, 0.0000000000000000, -0.0103355800000000 ] - [ 0.0029940700000000, 0.0000000000000000, -0.0002876200000000 ] - [ -0.0017978900000000, -0.0018000400000000, 0.0000979800000000 ] - [ 0.0011452200000000, 0.0005098200000000, 0.0009145900000000 ] - [ -0.0017978900000000, 0.0018000400000000, 0.0000979800000000 ] - [ 0.0011452200000000, -0.0005098200000000, 0.0009145900000000 ] - [ -0.0175269200000000, 0.0005586500000000, -0.0011175100000000 ] - [ 0.0019353800000000, 0.0000205600000000, 0.0000956300000000 ] - [ -0.0175269200000000, -0.0005586500000000, -0.0011175100000000 ] - [ 0.0019353800000000, -0.0000205600000000, 0.0000956300000000 ] - [ -0.0011431400000000, 0.0000000000000000, -0.0000545800000000 ] - [ 0.0012678600000000, 0.0000000000000000, -0.0000027500000000 ] - [ -0.0003160400000000, -0.0003016600000000, 0.0008342600000000 ] - [ 0.0005902300000000, 0.0000840800000000, -0.0002470100000000 ] - [ -0.0003160400000000, 0.0003016600000000, 0.0008342600000000 ] - [ 0.0005902300000000, -0.0000840800000000, -0.0002470100000000 ] - [ -0.0004804300000000, 0.0000000000000000, 0.0005185700000000 ] - [ 0.0005016500000000, 0.0000000000000000, -0.0001606900000000 ] - [ 0.0004308700000000, 0.0000000000000000, -0.0001673300000000 ] - [ -0.0000242900000000, 0.0000000000000000, -0.0002635500000000 ] - [ 0.0002387800000000, 0.0001963500000000, -0.0000731900000000 ] - [ -0.0000501400000000, -0.0001150200000000, -0.0003359000000000 ] - [ 0.0002387800000000, -0.0001963500000000, -0.0000731900000000 ] - [ -0.0000501400000000, 0.0001150200000000, -0.0003359000000000 ] - [ -0.0009427000000000, 0.0003790100000000, -0.0005606500000000 ] - [ 0.0007679400000000, -0.0000525900000000, 0.0007354900000000 ] - [ -0.0009427000000000, -0.0003790100000000, -0.0005606500000000 ] - [ 0.0007679400000000, 0.0000525900000000, 0.0007354900000000 ] - [ -0.0007338600000000, 0.0000000000000000, -0.0001353400000000 ] - [ 0.0006722700000000, 0.0000000000000000, 0.0007322200000000 ] - [ -0.0017548900000000, 0.0000000000000000, 0.0001499000000000 ] - [ 0.0013139300000000, 0.0000000000000000, -0.0002709100000000 ] - [ -0.0014444100000000, 0.0004458400000000, 0.0001686700000000 ] - [ 0.0012416800000000, -0.0000332000000000, -0.0002176900000000 ] - [ -0.0014444100000000, -0.0004458400000000, 0.0001686700000000 ] - [ 0.0012416800000000, 0.0000332000000000, -0.0002176900000000 ] - [ -0.0045368300000000, -0.0000799600000000, 0.0017358100000000 ] - [ 0.0016818800000000, -0.0005994800000000, 0.0037615400000000 ] - [ -0.0045368300000000, 0.0000799600000000, 0.0017358100000000 ] - [ 0.0016818800000000, 0.0005994800000000, 0.0037615400000000 ] - [ -0.0006294100000000, 0.0000000000000000, 0.0023274000000000 ] - [ 0.0005810200000000, 0.0000000000000000, 0.0026793100000000 ] - [ -0.0017483800000000, -0.0004754300000000, -0.0000740200000000 ] - [ 0.0005137000000000, 0.0007344900000000, -0.0009217000000000 ] - [ -0.0017483800000000, 0.0004754300000000, -0.0000740200000000 ] - [ 0.0005137000000000, -0.0007344900000000, -0.0009217000000000 ] - [ 0.0003661400000000, 0.0000000000000000, -0.0000737800000000 ] - [ 0.0010854800000000, 0.0000000000000000, -0.0003661700000000 ] - [ 0.0001236900000000, 0.0015248400000000, -0.0018081400000000 ] - [ -0.0015226800000000, -0.0000834600000000, -0.0005109700000000 ] - [ 0.0001236900000000, -0.0015248400000000, -0.0018081400000000 ] - [ -0.0015226800000000, 0.0000834600000000, -0.0005109700000000 ] - [ -0.0001123200000000, 0.0000000000000000, -0.0001573400000000 ] - [ -0.0012907900000000, 0.0000000000000000, -0.0001419200000000 ] - [ -0.0006539900000000, 0.0000000000000000, 0.0037348800000000 ] - [ 0.0007528700000000, 0.0000000000000000, 0.0023146800000000 ] - [ -0.0005216300000000, -0.0006564500000000, 0.0030917200000000 ] - [ 0.0005051300000000, 0.0000830500000000, 0.0024013100000000 ] - [ -0.0005216300000000, 0.0006564500000000, 0.0030917200000000 ] - [ 0.0005051300000000, -0.0000830500000000, 0.0024013100000000 ] - [ 0.0004590600000000, 0.0000000000000000, -0.0016979500000000 ] - [ 0.0012607900000000, 0.0000000000000000, 0.0000950100000000 ] - [ 0.0006050200000000, 0.0006150600000000, -0.0008115900000000 ] - [ 0.0011283600000000, -0.0000945900000000, -0.0000287300000000 ] - [ 0.0006050200000000, -0.0006150600000000, -0.0008115900000000 ] - [ 0.0011283600000000, 0.0000945900000000, -0.0000287300000000 ] - [ -0.0004107800000000, 0.0000000000000000, -0.0019524400000000 ] - [ -0.0013151800000000, 0.0000000000000000, 0.0001517600000000 ] - [ -0.0005490900000000, 0.0006947100000000, -0.0009276600000000 ] - [ -0.0011970000000000, -0.0000730500000000, 0.0000188600000000 ] - [ -0.0005490900000000, -0.0006947100000000, -0.0009276600000000 ] - [ -0.0011970000000000, 0.0000730500000000, 0.0000188600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004071000000000, -0.1290986200000000, -0.0007363800000000 ] - [ 0.0004672700000000, -0.0024889400000000, -0.0017145300000000 ] - [ -0.0002688200000000, 0.0231089400000000, 0.0030164000000000 ] - [ 0.0005336600000000, 0.0012306400000000, -0.0022619200000000 ] - [ 0.0011906700000000, 0.0228209500000000, -0.0064003900000000 ] - [ 0.0003977400000000, 0.0012320000000000, -0.0011687500000000 ] - [ -0.0005020100000000, -0.0033202000000000, -0.0017188800000000 ] - [ -0.0004285600000000, -0.0051765400000000, -0.0017282000000000 ] - [ 0.0013099100000000, 0.0021875100000000, -0.0020256000000000 ] - [ -0.0027288700000000, 0.0027054700000000, -0.0021713600000000 ] - [ -0.0022261800000000, 0.0021915500000000, -0.0014022500000000 ] - [ 0.0017895400000000, 0.0027112700000000, -0.0012448100000000 ] - [ -0.0191078700000000, 0.0011506600000000, 0.0120927100000000 ] - [ 0.0007033900000000, -0.0005022700000000, 0.0022519100000000 ] - [ 0.0192762200000000, 0.0010973000000000, -0.0086191200000000 ] - [ -0.0007008600000000, -0.0005046300000000, 0.0013035100000000 ] - [ 0.0000040100000000, 0.0044348000000000, 0.0017709600000000 ] - [ -0.0000000200000000, 0.0010208400000000, 0.0017769300000000 ] - [ 0.0169227100000000, 0.0003378800000000, 0.0096788400000000 ] - [ -0.0006066100000000, -0.0005258000000000, -0.0005521200000000 ] - [ -0.0170747200000000, 0.0002844300000000, -0.0119591300000000 ] - [ 0.0006051400000000, -0.0005233000000000, -0.0016302900000000 ] - [ -0.0000052300000000, 0.0048506800000000, -0.0010966300000000 ] - [ 0.0000013200000000, 0.0010472600000000, -0.0010907400000000 ] - [ 0.0007665500000000, -0.0011401200000000, -0.0027757700000000 ] - [ 0.0004648200000000, -0.0003978200000000, -0.0019560900000000 ] - [ 0.0001660400000000, -0.0011373900000000, -0.0006617900000000 ] - [ 0.0004672800000000, -0.0003959600000000, -0.0014758700000000 ] - [ 0.0004673300000000, 0.0022333900000000, -0.0017196900000000 ] - [ 0.0004644400000000, 0.0007939200000000, -0.0017176600000000 ] - [ -0.0009180000000000, -0.0007539200000000, -0.0022062800000000 ] - [ -0.0002193600000000, -0.0005999300000000, -0.0021039900000000 ] - [ -0.0000121900000000, -0.0007519400000000, -0.0012284200000000 ] - [ -0.0007149900000000, -0.0006002500000000, -0.0013274200000000 ] - [ -0.0004649000000000, 0.0014702900000000, -0.0017196700000000 ] - [ -0.0004668700000000, 0.0011821300000000, -0.0017165500000000 ] - [ -0.0000005700000000, -0.0066150100000000, 0.0017731900000000 ] - [ 0.0000002500000000, -0.0021310900000000, 0.0017752700000000 ] - [ 0.0009172100000000, 0.0035794200000000, 0.0035746500000000 ] - [ -0.0001531600000000, 0.0010752200000000, 0.0023852700000000 ] - [ -0.0009274700000000, 0.0035892200000000, -0.0000358800000000 ] - [ 0.0001532400000000, 0.0010762700000000, 0.0011649900000000 ] - [ 0.0000031600000000, -0.0060440100000000, -0.0010965300000000 ] - [ 0.0000006100000000, -0.0021917000000000, -0.0010933300000000 ] - [ -0.0005084800000000, 0.0032511400000000, 0.0008885700000000 ] - [ 0.0003506700000000, 0.0011327900000000, -0.0005235500000000 ] - [ 0.0005111800000000, 0.0032525500000000, -0.0030835400000000 ] - [ -0.0003522200000000, 0.0011278800000000, -0.0016579300000000 ] - [ 0.0000134200000000, 0.0167627900000000, 0.0000788100000000 ] - [ -0.0000037700000000, 0.0008781500000000, 0.0000716400000000 ] - [ -0.0034671600000000, -0.0040579200000000, 0.0009210900000000 ] - [ 0.0004733800000000, -0.0004478700000000, 0.0005702600000000 ] - [ 0.0034354700000000, -0.0040380600000000, -0.0007673600000000 ] - [ -0.0004770800000000, -0.0004482500000000, -0.0004206600000000 ] - [ 0.0015812400000000, 0.0009648900000000, 0.0006071100000000 ] - [ -0.0026161800000000, 0.0013044300000000, 0.0008227200000000 ] - [ -0.0023474400000000, 0.0009828900000000, -0.0008142700000000 ] - [ 0.0018526500000000, 0.0013233000000000, -0.0010252800000000 ] - [ -0.0003870800000000, -0.0018367800000000, -0.0000976500000000 ] - [ -0.0003781800000000, -0.0021992300000000, -0.0000997100000000 ] - [ 0.0000211100000000, 0.0168331400000000, 0.0007726400000000 ] - [ 0.0000044500000000, 0.0010151300000000, 0.0007339300000000 ] - [ 0.0035279500000000, -0.0045328100000000, 0.0017898300000000 ] - [ -0.0003237000000000, -0.0005126900000000, 0.0012083900000000 ] - [ -0.0034957700000000, -0.0045144200000000, -0.0003094000000000 ] - [ 0.0003242200000000, -0.0005144500000000, 0.0002676900000000 ] - [ -0.0011564200000000, 0.0229749000000000, 0.0108429700000000 ] - [ 0.0004826600000000, 0.0004050100000000, -0.0002517900000000 ] - [ 0.0019785000000000, 0.0246601500000000, -0.0121790300000000 ] - [ 0.0002799000000000, 0.0004035900000000, 0.0000559800000000 ] - [ 0.0003825300000000, -0.0054490900000000, -0.0000947000000000 ] - [ 0.0003830000000000, -0.0008029900000000, -0.0000986500000000 ] - [ 0.0006798300000000, 0.0009357200000000, 0.0013313000000000 ] - [ -0.0000735000000000, 0.0003392800000000, 0.0002730100000000 ] - [ -0.0006760800000000, 0.0009310500000000, -0.0011787400000000 ] - [ 0.0000724600000000, 0.0003353300000000, -0.0001223100000000 ] - [ 0.0000003200000000, -0.0022417100000000, 0.0000793000000000 ] - [ 0.0000006100000000, -0.0006623900000000, 0.0000757200000000 ] - [ -0.0003834000000000, 0.0010538900000000, -0.0000969300000000 ] - [ -0.0003800100000000, 0.0007336400000000, -0.0000968000000000 ] - [ -0.0010160300000000, -0.0005679500000000, -0.0007551100000000 ] - [ 0.0000059000000000, -0.0003702000000000, -0.0005802300000000 ] - [ 0.0002559700000000, -0.0005635500000000, 0.0005648600000000 ] - [ -0.0007696500000000, -0.0003704200000000, 0.0003891400000000 ] - [ -0.0001403500000000, 0.0010244900000000, 0.0018617700000000 ] - [ 0.0001352000000000, 0.0003805900000000, 0.0009454100000000 ] - [ 0.0001388500000000, 0.0010188300000000, -0.0003866200000000 ] - [ -0.0001365200000000, 0.0003764500000000, 0.0005301800000000 ] - [ -0.0000008000000000, -0.0022972100000000, 0.0007402400000000 ] - [ -0.0000018000000000, -0.0007549800000000, 0.0007373000000000 ] - [ 0.0003814900000000, 0.0019086400000000, -0.0001004600000000 ] - [ 0.0003817900000000, 0.0006180500000000, -0.0000964900000000 ] - [ 0.0005350600000000, -0.0010691900000000, -0.0012531700000000 ] - [ 0.0003724600000000, -0.0002972200000000, -0.0004246600000000 ] - [ 0.0002238200000000, -0.0010719100000000, 0.0010685200000000 ] - [ 0.0003950100000000, -0.0002937600000000, 0.0002288700000000 ] - [ -0.0005195000000000, 0.0028539100000000, 0.0039466900000000 ] - [ 0.0002278700000000, 0.0001805100000000, 0.0012653600000000 ] - [ 0.0003980800000000, 0.0030205800000000, 0.0009284200000000 ] - [ -0.0002277500000000, 0.0001812300000000, 0.0035318300000000 ] - [ 0.0000054000000000, -0.0027251900000000, 0.0023924700000000 ] - [ -0.0000001600000000, -0.0007046800000000, 0.0023969600000000 ] - [ -0.0006156000000000, -0.0002575900000000, 0.0009142500000000 ] - [ 0.0034017900000000, -0.0000420400000000, -0.0002940900000000 ] - [ 0.0024836500000000, -0.0002568500000000, -0.0011871000000000 ] - [ -0.0015267600000000, -0.0000291200000000, 0.0000287100000000 ] - [ 0.0009337900000000, -0.0008886400000000, -0.0001357900000000 ] - [ 0.0009326200000000, -0.0006343100000000, -0.0001339800000000 ] - [ -0.0017442700000000, 0.0056399200000000, -0.0025564500000000 ] - [ -0.0017442600000000, 0.0005013900000000, 0.0004912700000000 ] - [ -0.0000394100000000, 0.0058486400000000, 0.0025043500000000 ] - [ -0.0001294600000000, 0.0004944600000000, -0.0007608800000000 ] - [ -0.0009367000000000, -0.0025837300000000, -0.0001441000000000 ] - [ -0.0009326900000000, -0.0003327000000000, -0.0001357200000000 ] - [ -0.0000007300000000, 0.0014027700000000, 0.0023988200000000 ] - [ -0.0000006600000000, 0.0002664500000000, 0.0023976100000000 ] - [ 0.0000616900000000, -0.0006504500000000, 0.0027658100000000 ] - [ -0.0002259100000000, -0.0001350700000000, 0.0024720500000000 ] - [ -0.0000607700000000, -0.0006512700000000, 0.0020317900000000 ] - [ 0.0002246000000000, -0.0001333100000000, 0.0023262500000000 ] - [ 0.0009313800000000, 0.0015698400000000, -0.0001314700000000 ] - [ 0.0009327400000000, 0.0003004600000000, -0.0001344300000000 ] - [ 0.0008231800000000, -0.0007425300000000, 0.0004758500000000 ] - [ 0.0008054100000000, -0.0001526000000000, -0.0000663000000000 ] - [ 0.0010426300000000, -0.0007417000000000, -0.0007418700000000 ] - [ 0.0010601100000000, -0.0001519200000000, -0.0002022800000000 ] - [ -0.0009364400000000, 0.0015362300000000, -0.0001297200000000 ] - [ -0.0009327700000000, 0.0002234500000000, -0.0001348200000000 ] - [ -0.0012423900000000, -0.0007530600000000, 0.0006579700000000 ] - [ -0.0007769700000000, -0.0001131900000000, -0.0000486600000000 ] - [ -0.0006246500000000, -0.0007525700000000, -0.0009200100000000 ] - [ -0.0010888800000000, -0.0001135700000000, -0.0002196000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0081020100000000, 0.0000000000000000, -0.1188154000000000 ] - [ 0.0010226900000000, 0.0000000000000000, -0.0036843500000000 ] - [ 0.0009587100000000, -0.0047471000000000, -0.0099025600000000 ] - [ 0.0006457200000000, 0.0005479600000000, -0.0027899900000000 ] - [ 0.0009587100000000, 0.0047471000000000, -0.0099025600000000 ] - [ 0.0006457200000000, -0.0005479600000000, -0.0027899900000000 ] - [ -0.0041711000000000, 0.0000000000000000, -0.0058395400000000 ] - [ 0.0037943000000000, 0.0000000000000000, -0.0088949200000000 ] - [ -0.0014001800000000, 0.0003109900000000, -0.0041664300000000 ] - [ -0.0007968700000000, 0.0004663500000000, -0.0050616200000000 ] - [ -0.0014001800000000, -0.0003109900000000, -0.0041664300000000 ] - [ -0.0007968700000000, -0.0004663500000000, -0.0050616200000000 ] - [ -0.0138767300000000, 0.0098338000000000, 0.0083174400000000 ] - [ 0.0011663200000000, 0.0004621600000000, 0.0014232900000000 ] - [ -0.0138767300000000, -0.0098338000000000, 0.0083174400000000 ] - [ 0.0011663200000000, -0.0004621600000000, 0.0014232900000000 ] - [ -0.0006527200000000, 0.0000000000000000, 0.0017334600000000 ] - [ 0.0002334000000000, 0.0000000000000000, 0.0012872700000000 ] - [ 0.0124878800000000, 0.0131557600000000, 0.0074659900000000 ] - [ -0.0009917000000000, 0.0004111400000000, -0.0017970600000000 ] - [ 0.0124878800000000, -0.0131557600000000, 0.0074659900000000 ] - [ -0.0009917000000000, -0.0004111400000000, -0.0017970600000000 ] - [ 0.0007859600000000, 0.0000000000000000, -0.0009675600000000 ] - [ -0.0004003100000000, 0.0000000000000000, -0.0015689200000000 ] - [ 0.0003990600000000, 0.0010462600000000, 0.0017354600000000 ] - [ 0.0003402900000000, 0.0002363800000000, -0.0005868200000000 ] - [ 0.0003990600000000, -0.0010462600000000, 0.0017354600000000 ] - [ 0.0003402900000000, -0.0002363800000000, -0.0005868200000000 ] - [ 0.0001138700000000, 0.0000000000000000, 0.0002734000000000 ] - [ 0.0003854100000000, 0.0000000000000000, -0.0010066800000000 ] - [ -0.0003708500000000, 0.0004846100000000, 0.0004567900000000 ] - [ -0.0000606700000000, 0.0003856500000000, -0.0001521100000000 ] - [ -0.0003708500000000, -0.0004846100000000, 0.0004567900000000 ] - [ -0.0000606700000000, -0.0003856500000000, -0.0001521100000000 ] - [ -0.0003722400000000, 0.0000000000000000, -0.0002539000000000 ] - [ -0.0000712200000000, 0.0000000000000000, -0.0006490600000000 ] - [ 0.0015517200000000, 0.0000000000000000, 0.0065765200000000 ] - [ 0.0000989800000000, 0.0000000000000000, 0.0029752400000000 ] - [ 0.0007393000000000, 0.0020309700000000, 0.0045425100000000 ] - [ 0.0000116100000000, 0.0004297000000000, 0.0026077700000000 ] - [ 0.0007393000000000, -0.0020309700000000, 0.0045425100000000 ] - [ 0.0000116100000000, -0.0004297000000000, 0.0026077700000000 ] - [ -0.0024070300000000, 0.0000000000000000, 0.0046253400000000 ] - [ 0.0005281200000000, 0.0000000000000000, 0.0003486000000000 ] - [ -0.0007443300000000, 0.0016590400000000, 0.0015687000000000 ] - [ 0.0004864900000000, 0.0005942900000000, -0.0002027100000000 ] - [ -0.0007443300000000, -0.0016590400000000, 0.0015687000000000 ] - [ 0.0004864900000000, -0.0005942900000000, -0.0002027100000000 ] - [ -0.0075018600000000, 0.0000000000000000, 0.0167459300000000 ] - [ -0.0012343300000000, 0.0000000000000000, 0.0002685900000000 ] - [ 0.0017606300000000, 0.0021320400000000, 0.0017680500000000 ] - [ -0.0001197600000000, 0.0002641600000000, 0.0006653200000000 ] - [ 0.0017606300000000, -0.0021320400000000, 0.0017680500000000 ] - [ -0.0001197600000000, -0.0002641600000000, 0.0006653200000000 ] - [ 0.0022342700000000, -0.0008034100000000, 0.0013816500000000 ] - [ -0.0032332600000000, -0.0018062700000000, 0.0020497600000000 ] - [ 0.0022342700000000, 0.0008034100000000, 0.0013816500000000 ] - [ -0.0032332600000000, 0.0018062700000000, 0.0020497600000000 ] - [ 0.0003964400000000, 0.0000000000000000, 0.0005076500000000 ] - [ -0.0011387900000000, 0.0000000000000000, 0.0007457900000000 ] - [ 0.0113143600000000, 0.0000000000000000, 0.0238801200000000 ] - [ 0.0008511400000000, 0.0000000000000000, 0.0011798300000000 ] - [ -0.0018495300000000, 0.0025872100000000, 0.0030462600000000 ] - [ 0.0003162300000000, 0.0001558900000000, 0.0013120000000000 ] - [ -0.0018495300000000, -0.0025872100000000, 0.0030462600000000 ] - [ 0.0003162300000000, -0.0001558900000000, 0.0013120000000000 ] - [ 0.0009732700000000, 0.0116953200000000, 0.0213562300000000 ] - [ 0.0001936700000000, -0.0000045600000000, 0.0008987200000000 ] - [ 0.0009732700000000, -0.0116953200000000, 0.0213562300000000 ] - [ 0.0001936700000000, 0.0000045600000000, 0.0008987200000000 ] - [ 0.0003166200000000, 0.0000000000000000, 0.0000025600000000 ] - [ 0.0003661200000000, 0.0000000000000000, 0.0004103100000000 ] - [ -0.0000655500000000, 0.0001285900000000, -0.0021466600000000 ] - [ -0.0000851000000000, 0.0000991000000000, -0.0005715000000000 ] - [ -0.0000655500000000, -0.0001285900000000, -0.0021466600000000 ] - [ -0.0000851000000000, -0.0000991000000000, -0.0005715000000000 ] - [ 0.0002823800000000, 0.0000000000000000, -0.0013665300000000 ] - [ -0.0000830400000000, 0.0000000000000000, -0.0003684400000000 ] - [ -0.0011817900000000, 0.0000000000000000, -0.0017285400000000 ] - [ -0.0002082000000000, 0.0000000000000000, -0.0014238200000000 ] - [ -0.0011113300000000, -0.0001650100000000, -0.0012665900000000 ] - [ -0.0001641200000000, -0.0000301300000000, -0.0009657100000000 ] - [ -0.0011113300000000, 0.0001650100000000, -0.0012665900000000 ] - [ -0.0001641200000000, 0.0000301300000000, -0.0009657100000000 ] - [ 0.0001011900000000, 0.0001980900000000, -0.0011549700000000 ] - [ -0.0000917200000000, 0.0000965000000000, -0.0000507400000000 ] - [ 0.0001011900000000, -0.0001980900000000, -0.0011549700000000 ] - [ -0.0000917200000000, -0.0000965000000000, -0.0000507400000000 ] - [ 0.0000407300000000, 0.0000000000000000, -0.0004598000000000 ] - [ -0.0000368000000000, 0.0000000000000000, 0.0002195500000000 ] - [ 0.0006597100000000, 0.0000000000000000, -0.0031934300000000 ] - [ 0.0004079400000000, 0.0000000000000000, -0.0010402900000000 ] - [ 0.0007333500000000, -0.0003214400000000, -0.0019911800000000 ] - [ 0.0003653700000000, -0.0000555200000000, -0.0006878700000000 ] - [ 0.0007333500000000, 0.0003214400000000, -0.0019911800000000 ] - [ 0.0003653700000000, 0.0000555200000000, -0.0006878700000000 ] - [ 0.0007255000000000, 0.0006595500000000, 0.0044201200000000 ] - [ -0.0006626300000000, -0.0002727600000000, 0.0037452800000000 ] - [ 0.0007255000000000, -0.0006595500000000, 0.0044201200000000 ] - [ -0.0006626300000000, 0.0002727600000000, 0.0037452800000000 ] - [ -0.0005486000000000, 0.0000000000000000, 0.0033633400000000 ] - [ -0.0001023300000000, 0.0000000000000000, 0.0026165600000000 ] - [ 0.0023989300000000, 0.0012829200000000, -0.0008062100000000 ] - [ -0.0006734900000000, 0.0002945900000000, 0.0008709500000000 ] - [ 0.0023989300000000, -0.0012829200000000, -0.0008062100000000 ] - [ -0.0006734900000000, -0.0002945900000000, 0.0008709500000000 ] - [ 0.0011188300000000, 0.0000000000000000, 0.0002125000000000 ] - [ 0.0008426800000000, 0.0000000000000000, -0.0000167900000000 ] - [ 0.0011473700000000, -0.0053021800000000, 0.0068918100000000 ] - [ -0.0002030900000000, -0.0001740500000000, -0.0005161000000000 ] - [ 0.0011473700000000, 0.0053021800000000, 0.0068918100000000 ] - [ -0.0002030900000000, 0.0001740500000000, -0.0005161000000000 ] - [ -0.0006652000000000, 0.0000000000000000, 0.0008461000000000 ] - [ -0.0008989600000000, 0.0000000000000000, -0.0000977000000000 ] - [ -0.0003906100000000, 0.0000000000000000, 0.0006934000000000 ] - [ 0.0008262500000000, 0.0000000000000000, 0.0019384000000000 ] - [ -0.0001338100000000, 0.0006370900000000, 0.0013641600000000 ] - [ 0.0001930300000000, 0.0000578000000000, 0.0021220200000000 ] - [ -0.0001338100000000, -0.0006370900000000, 0.0013641600000000 ] - [ 0.0001930300000000, -0.0000578000000000, 0.0021220200000000 ] - [ 0.0006906100000000, 0.0000000000000000, -0.0017730600000000 ] - [ 0.0014119100000000, 0.0000000000000000, -0.0003939300000000 ] - [ 0.0009380200000000, 0.0004981400000000, -0.0008353900000000 ] - [ 0.0011320800000000, 0.0000945200000000, -0.0002805400000000 ] - [ 0.0009380200000000, -0.0004981400000000, -0.0008353900000000 ] - [ 0.0011320800000000, -0.0000945200000000, -0.0002805400000000 ] - [ -0.0001823200000000, 0.0000000000000000, -0.0031304200000000 ] - [ -0.0014079100000000, 0.0000000000000000, -0.0004275700000000 ] - [ -0.0008709300000000, 0.0006290700000000, -0.0010314100000000 ] - [ -0.0010840500000000, 0.0000740800000000, -0.0002210000000000 ] - [ -0.0008709300000000, -0.0006290700000000, -0.0010314100000000 ] - [ -0.0010840500000000, -0.0000740800000000, -0.0002210000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0093176700000000, 0.0000000000000000, 0.1165160300000000 ] - [ -0.0000869700000000, 0.0000000000000000, 0.0002461800000000 ] - [ -0.0000241200000000, 0.0046701800000000, 0.0064160000000000 ] - [ 0.0002840700000000, -0.0005451700000000, -0.0006451900000000 ] - [ -0.0000241200000000, -0.0046701800000000, 0.0064160000000000 ] - [ 0.0002840700000000, 0.0005451700000000, -0.0006451900000000 ] - [ 0.0031545900000000, 0.0000000000000000, 0.0023695000000000 ] - [ -0.0046700200000000, 0.0000000000000000, 0.0054159200000000 ] - [ 0.0004617600000000, -0.0003132400000000, 0.0007157600000000 ] - [ -0.0001358700000000, -0.0004613100000000, 0.0016136500000000 ] - [ 0.0004617600000000, 0.0003132400000000, 0.0007157600000000 ] - [ -0.0001358700000000, 0.0004613100000000, 0.0016136500000000 ] - [ 0.0139296000000000, -0.0098669400000000, -0.0047167700000000 ] - [ -0.0011583500000000, -0.0004628300000000, 0.0021316900000000 ] - [ 0.0139296000000000, 0.0098669400000000, -0.0047167700000000 ] - [ -0.0011583500000000, 0.0004628300000000, 0.0021316900000000 ] - [ 0.0006483800000000, 0.0000000000000000, 0.0018257200000000 ] - [ -0.0002290600000000, 0.0000000000000000, 0.0022648400000000 ] - [ -0.0125590700000000, -0.0132446500000000, -0.0096716000000000 ] - [ 0.0009800400000000, -0.0004198000000000, -0.0003848500000000 ] - [ -0.0125590700000000, 0.0132446500000000, -0.0096716000000000 ] - [ 0.0009800400000000, 0.0004198000000000, -0.0003848500000000 ] - [ -0.0007798400000000, 0.0000000000000000, -0.0012148400000000 ] - [ 0.0003946500000000, 0.0000000000000000, -0.0006141100000000 ] - [ 0.0005259100000000, -0.0010665900000000, -0.0051649600000000 ] - [ 0.0005912200000000, -0.0002439000000000, -0.0028418900000000 ] - [ 0.0005259100000000, 0.0010665900000000, -0.0051649600000000 ] - [ 0.0005912200000000, 0.0002439000000000, -0.0028418900000000 ] - [ 0.0008242300000000, 0.0000000000000000, -0.0036939400000000 ] - [ 0.0005415800000000, 0.0000000000000000, -0.0024245000000000 ] - [ -0.0005576000000000, -0.0004928000000000, -0.0038828700000000 ] - [ -0.0008738600000000, -0.0003906200000000, -0.0032721200000000 ] - [ -0.0005576000000000, 0.0004928000000000, -0.0038828700000000 ] - [ -0.0008738600000000, 0.0003906200000000, -0.0032721200000000 ] - [ -0.0005585600000000, 0.0000000000000000, -0.0031728600000000 ] - [ -0.0008622400000000, 0.0000000000000000, -0.0027742900000000 ] - [ -0.0015370800000000, 0.0000000000000000, -0.0029987800000000 ] - [ -0.0000978700000000, 0.0000000000000000, 0.0005788500000000 ] - [ -0.0007403800000000, -0.0020219600000000, -0.0009823900000000 ] - [ -0.0000135800000000, -0.0004265400000000, 0.0009469200000000 ] - [ -0.0007403800000000, 0.0020219600000000, -0.0009823900000000 ] - [ -0.0000135800000000, 0.0004265400000000, 0.0009469200000000 ] - [ 0.0023660000000000, 0.0000000000000000, -0.0067499300000000 ] - [ -0.0005251200000000, 0.0000000000000000, -0.0025307200000000 ] - [ 0.0007409600000000, -0.0016492500000000, -0.0037499800000000 ] - [ -0.0004835300000000, -0.0005842300000000, -0.0019756100000000 ] - [ 0.0007409600000000, 0.0016492500000000, -0.0037499800000000 ] - [ -0.0004835300000000, 0.0005842300000000, -0.0019756100000000 ] - [ 0.0080141700000000, 0.0000000000000000, -0.0167489000000000 ] - [ 0.0012264500000000, 0.0000000000000000, -0.0001198900000000 ] - [ -0.0017504500000000, -0.0021195800000000, -0.0016103700000000 ] - [ 0.0001166700000000, -0.0002642600000000, -0.0005150000000000 ] - [ -0.0017504500000000, 0.0021195800000000, -0.0016103700000000 ] - [ 0.0001166700000000, 0.0002642600000000, -0.0005150000000000 ] - [ -0.0029734500000000, 0.0007857200000000, -0.0015735000000000 ] - [ 0.0024535500000000, 0.0017943200000000, -0.0022281800000000 ] - [ -0.0029734500000000, -0.0007857200000000, -0.0015735000000000 ] - [ 0.0024535500000000, -0.0017943200000000, -0.0022281800000000 ] - [ -0.0011575900000000, 0.0000000000000000, -0.0006997300000000 ] - [ 0.0003673900000000, 0.0000000000000000, -0.0009356200000000 ] - [ -0.0121857900000000, 0.0000000000000000, -0.0228759800000000 ] - [ -0.0008368600000000, 0.0000000000000000, 0.0002895500000000 ] - [ 0.0018352400000000, -0.0025777200000000, -0.0015605600000000 ] - [ -0.0003101300000000, -0.0001547900000000, 0.0001641300000000 ] - [ 0.0018352400000000, 0.0025777200000000, -0.0015605600000000 ] - [ -0.0003101300000000, 0.0001547900000000, 0.0001641300000000 ] - [ -0.0002051300000000, -0.0126064200000000, -0.0220386300000000 ] - [ 0.0005706500000000, 0.0000074900000000, -0.0010889600000000 ] - [ -0.0002051300000000, 0.0126064200000000, -0.0220386300000000 ] - [ 0.0005706500000000, -0.0000074900000000, -0.0010889600000000 ] - [ 0.0004469100000000, 0.0000000000000000, -0.0002017300000000 ] - [ 0.0004018600000000, 0.0000000000000000, -0.0006032100000000 ] - [ 0.0000656500000000, -0.0001214900000000, 0.0022944300000000 ] - [ 0.0000842500000000, -0.0000945000000000, 0.0007188800000000 ] - [ 0.0000656500000000, 0.0001214900000000, 0.0022944300000000 ] - [ 0.0000842500000000, 0.0000945000000000, 0.0007188800000000 ] - [ -0.0002810100000000, 0.0000000000000000, 0.0015132400000000 ] - [ 0.0000835300000000, 0.0000000000000000, 0.0005160100000000 ] - [ 0.0004107200000000, 0.0000000000000000, 0.0015299600000000 ] - [ -0.0005512400000000, 0.0000000000000000, 0.0012262000000000 ] - [ 0.0003447100000000, 0.0001578500000000, 0.0010702200000000 ] - [ -0.0005981500000000, 0.0000287600000000, 0.0007701400000000 ] - [ 0.0003447100000000, -0.0001578500000000, 0.0010702200000000 ] - [ -0.0005981500000000, -0.0000287600000000, 0.0007701400000000 ] - [ -0.0000972000000000, -0.0001922200000000, 0.0026219800000000 ] - [ 0.0000901700000000, -0.0000916400000000, 0.0015228800000000 ] - [ -0.0000972000000000, 0.0001922200000000, 0.0026219800000000 ] - [ 0.0000901700000000, 0.0000916400000000, 0.0015228800000000 ] - [ -0.0000419200000000, 0.0000000000000000, 0.0019303300000000 ] - [ 0.0000348000000000, 0.0000000000000000, 0.0012515900000000 ] - [ 0.0001103200000000, 0.0000000000000000, 0.0029930900000000 ] - [ 0.0003563500000000, 0.0000000000000000, 0.0008447900000000 ] - [ 0.0000283300000000, 0.0003152500000000, 0.0017950800000000 ] - [ 0.0004030700000000, 0.0000511800000000, 0.0004905900000000 ] - [ 0.0000283300000000, -0.0003152500000000, 0.0017950800000000 ] - [ 0.0004030700000000, -0.0000511800000000, 0.0004905900000000 ] - [ -0.0007446100000000, -0.0006695100000000, 0.0003969600000000 ] - [ 0.0006510600000000, 0.0002664200000000, 0.0010592900000000 ] - [ -0.0007446100000000, 0.0006695100000000, 0.0003969600000000 ] - [ 0.0006510600000000, -0.0002664200000000, 0.0010592900000000 ] - [ 0.0005448600000000, 0.0000000000000000, 0.0014384900000000 ] - [ 0.0001029900000000, 0.0000000000000000, 0.0021792600000000 ] - [ -0.0005227600000000, -0.0012668900000000, 0.0005370100000000 ] - [ 0.0025424300000000, -0.0002959100000000, -0.0011332000000000 ] - [ -0.0005227600000000, 0.0012668900000000, 0.0005370100000000 ] - [ 0.0025424300000000, 0.0002959100000000, -0.0011332000000000 ] - [ 0.0007483500000000, 0.0000000000000000, -0.0004779800000000 ] - [ 0.0010236500000000, 0.0000000000000000, -0.0002499000000000 ] - [ -0.0029066800000000, 0.0050946200000000, -0.0069600200000000 ] - [ -0.0016637600000000, 0.0001768200000000, 0.0002477400000000 ] - [ -0.0029066800000000, -0.0050946200000000, -0.0069600200000000 ] - [ -0.0016637600000000, -0.0001768200000000, 0.0002477400000000 ] - [ -0.0011985700000000, 0.0000000000000000, -0.0011092500000000 ] - [ -0.0009677100000000, 0.0000000000000000, -0.0001719600000000 ] - [ 0.0003932700000000, 0.0000000000000000, 0.0040966100000000 ] - [ -0.0008368400000000, 0.0000000000000000, 0.0028548000000000 ] - [ 0.0001337100000000, -0.0006364500000000, 0.0034247900000000 ] - [ -0.0001916100000000, -0.0000602800000000, 0.0026732400000000 ] - [ 0.0001337100000000, 0.0006364500000000, 0.0034247900000000 ] - [ -0.0001916100000000, 0.0000602800000000, 0.0026732400000000 ] - [ 0.0011838500000000, 0.0000000000000000, 0.0015043800000000 ] - [ 0.0004507400000000, 0.0000000000000000, 0.0001246600000000 ] - [ 0.0009280100000000, -0.0004960900000000, 0.0005593300000000 ] - [ 0.0007350400000000, -0.0000954600000000, 0.0000110300000000 ] - [ 0.0009280100000000, 0.0004960900000000, 0.0005593300000000 ] - [ 0.0007350400000000, 0.0000954600000000, 0.0000110300000000 ] - [ -0.0017065200000000, 0.0000000000000000, 0.0029150000000000 ] - [ -0.0004547600000000, 0.0000000000000000, 0.0001591300000000 ] - [ -0.0009932400000000, -0.0006291100000000, 0.0007554000000000 ] - [ -0.0007835100000000, -0.0000739800000000, -0.0000485200000000 ] - [ -0.0009932400000000, 0.0006291100000000, 0.0007554000000000 ] - [ -0.0007835100000000, 0.0000739800000000, -0.0000485200000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0034238400000000, -0.0190863100000000, -0.0155449500000000 ] - [ 0.0027636900000000, 0.0007046900000000, -0.0005492800000000 ] - [ -0.0002192500000000, 0.0000000000000000, -0.0023697900000000 ] - [ 0.0013114000000000, 0.0000000000000000, -0.0014847500000000 ] - [ 0.0034238400000000, 0.0190863100000000, -0.0155449500000000 ] - [ 0.0027636900000000, -0.0007046900000000, -0.0005492800000000 ] - [ 0.0024768600000000, 0.0192998200000000, 0.0122625600000000 ] - [ 0.0018245800000000, -0.0006974900000000, -0.0028756800000000 ] - [ -0.0011614000000000, 0.0000000000000000, -0.0010688700000000 ] - [ 0.0003817900000000, 0.0000000000000000, -0.0019475300000000 ] - [ 0.0024768600000000, -0.0192998200000000, 0.0122625600000000 ] - [ 0.0018245800000000, 0.0006974900000000, -0.0028756800000000 ] - [ -0.1442560800000000, 0.0000000000000000, 0.0007889300000000 ] - [ 0.0025540100000000, 0.0000000000000000, 0.0017725400000000 ] - [ -0.0039077900000000, -0.0000354400000000, 0.0017861600000000 ] - [ 0.0011776200000000, 0.0000016800000000, 0.0017741300000000 ] - [ -0.0039077900000000, 0.0000354400000000, 0.0017861600000000 ] - [ 0.0011776200000000, -0.0000016800000000, 0.0017741300000000 ] - [ 0.0180081600000000, 0.0000000000000000, 0.0036450200000000 ] - [ 0.0182273100000000, 0.0000000000000000, -0.0058790900000000 ] - [ 0.0008684100000000, -0.0020991300000000, -0.0003003600000000 ] - [ 0.0008600100000000, 0.0021152400000000, -0.0018947000000000 ] - [ 0.0008684100000000, 0.0020991300000000, -0.0003003600000000 ] - [ 0.0008600100000000, -0.0021152400000000, -0.0018947000000000 ] - [ 0.0006621500000000, 0.0000000000000000, -0.0001628000000000 ] - [ 0.0013594500000000, 0.0000000000000000, -0.0016171200000000 ] - [ 0.0005017500000000, -0.0009277700000000, -0.0009686000000000 ] - [ 0.0013177900000000, 0.0001542100000000, -0.0017036500000000 ] - [ 0.0005017500000000, 0.0009277700000000, -0.0009686000000000 ] - [ 0.0013177900000000, -0.0001542100000000, -0.0017036500000000 ] - [ -0.0002823700000000, 0.0000000000000000, -0.0032503900000000 ] - [ 0.0004327900000000, 0.0000000000000000, -0.0018137500000000 ] - [ -0.0004424900000000, 0.0009164500000000, -0.0024485100000000 ] - [ 0.0003925700000000, -0.0001539900000000, -0.0017266500000000 ] - [ -0.0004424900000000, -0.0009164500000000, -0.0024485100000000 ] - [ 0.0003925700000000, 0.0001539900000000, -0.0017266500000000 ] - [ -0.0019991400000000, 0.0000031500000000, 0.0017853400000000 ] - [ 0.0007335000000000, 0.0000010700000000, 0.0017787600000000 ] - [ -0.0015089200000000, 0.0000000000000000, 0.0017834200000000 ] - [ 0.0006813900000000, 0.0000000000000000, 0.0017784900000000 ] - [ -0.0019991400000000, -0.0000031500000000, 0.0017853400000000 ] - [ 0.0007335000000000, -0.0000010700000000, 0.0017787600000000 ] - [ 0.0003517800000000, -0.0003969900000000, -0.0012085400000000 ] - [ 0.0003470100000000, 0.0004015200000000, -0.0009654800000000 ] - [ 0.0002105600000000, 0.0000000000000000, -0.0011381900000000 ] - [ 0.0002054600000000, 0.0000000000000000, -0.0010372900000000 ] - [ 0.0003517800000000, 0.0003969900000000, -0.0012085400000000 ] - [ 0.0003470100000000, -0.0004015200000000, -0.0009654800000000 ] - [ 0.0187134800000000, -0.0000039500000000, 0.0000656300000000 ] - [ -0.0014566800000000, -0.0000022300000000, 0.0000760200000000 ] - [ 0.0012043500000000, 0.0000000000000000, 0.0000821700000000 ] - [ -0.0008197700000000, 0.0000000000000000, 0.0000748800000000 ] - [ 0.0187134800000000, 0.0000039500000000, 0.0000656300000000 ] - [ -0.0014566800000000, 0.0000022300000000, 0.0000760200000000 ] - [ 0.0304607900000000, 0.0000000000000000, 0.0083730300000000 ] - [ -0.0036337800000000, 0.0000000000000000, 0.0014067100000000 ] - [ 0.0009755500000000, -0.0018559400000000, 0.0006170400000000 ] - [ -0.0014820100000000, 0.0005288000000000, -0.0000999000000000 ] - [ 0.0009755500000000, 0.0018559400000000, 0.0006170400000000 ] - [ -0.0014820100000000, -0.0005288000000000, -0.0000999000000000 ] - [ -0.0038341400000000, 0.0039419000000000, 0.0016980600000000 ] - [ -0.0038616000000000, -0.0039731900000000, -0.0002291400000000 ] - [ -0.0002658500000000, 0.0000000000000000, 0.0012008300000000 ] - [ -0.0002624000000000, 0.0000000000000000, 0.0002743900000000 ] - [ -0.0038341400000000, -0.0039419000000000, 0.0016980600000000 ] - [ -0.0038616000000000, 0.0039731900000000, -0.0002291400000000 ] - [ 0.0289233900000000, 0.0000000000000000, -0.0076068300000000 ] - [ -0.0028844700000000, 0.0000000000000000, -0.0016103500000000 ] - [ 0.0017161100000000, 0.0018471500000000, -0.0007982600000000 ] - [ -0.0007180200000000, -0.0005337400000000, -0.0000917100000000 ] - [ 0.0017161100000000, -0.0018471500000000, -0.0007982600000000 ] - [ -0.0007180200000000, 0.0005337400000000, -0.0000917100000000 ] - [ 0.0016868700000000, 0.0000000000000000, 0.0000696100000000 ] - [ -0.0005602500000000, 0.0000000000000000, 0.0000737900000000 ] - [ 0.0013182800000000, 0.0000016800000000, 0.0000688700000000 ] - [ -0.0005989900000000, -0.0000008400000000, 0.0000734700000000 ] - [ 0.0013182800000000, -0.0000016800000000, 0.0000688700000000 ] - [ -0.0005989900000000, 0.0000008400000000, 0.0000734700000000 ] - [ -0.0000109200000000, -0.0002526400000000, 0.0006409700000000 ] - [ -0.0009955600000000, 0.0000045400000000, -0.0001386400000000 ] - [ 0.0001917800000000, 0.0000000000000000, 0.0003198800000000 ] - [ -0.0008752600000000, 0.0000000000000000, -0.0001414000000000 ] - [ -0.0000109200000000, 0.0002526400000000, 0.0006409700000000 ] - [ -0.0009955600000000, -0.0000045400000000, -0.0001386400000000 ] - [ -0.0004765800000000, 0.0000000000000000, 0.0008548600000000 ] - [ -0.0004711600000000, 0.0000000000000000, 0.0006165200000000 ] - [ -0.0004177300000000, 0.0002028200000000, 0.0006712500000000 ] - [ -0.0004098900000000, -0.0002023100000000, 0.0007980800000000 ] - [ -0.0004177300000000, -0.0002028200000000, 0.0006712500000000 ] - [ -0.0004098900000000, 0.0002023100000000, 0.0007980800000000 ] - [ 0.0007500500000000, 0.0002511900000000, -0.0008468300000000 ] - [ -0.0002276600000000, -0.0000049400000000, -0.0000575500000000 ] - [ 0.0009549300000000, 0.0000000000000000, -0.0005236900000000 ] - [ -0.0001086500000000, 0.0000000000000000, -0.0000546300000000 ] - [ 0.0007500500000000, -0.0002511900000000, -0.0008468300000000 ] - [ -0.0002276600000000, 0.0000049400000000, -0.0000575500000000 ] - [ -0.0010969300000000, 0.0000000000000000, 0.0044174600000000 ] - [ -0.0011004000000000, 0.0000000000000000, 0.0003661500000000 ] - [ -0.0004071200000000, 0.0005821000000000, 0.0031274100000000 ] - [ -0.0004073700000000, -0.0005875000000000, 0.0016640900000000 ] - [ -0.0004071200000000, -0.0005821000000000, 0.0031274100000000 ] - [ -0.0004073700000000, 0.0005875000000000, 0.0016640900000000 ] - [ 0.0007770800000000, 0.0000000000000000, -0.0019031900000000 ] - [ 0.0013155400000000, 0.0000000000000000, 0.0000253600000000 ] - [ 0.0010998700000000, -0.0005926100000000, -0.0009121300000000 ] - [ 0.0010522000000000, 0.0001378000000000, -0.0000365700000000 ] - [ 0.0010998700000000, 0.0005926100000000, -0.0009121300000000 ] - [ 0.0010522000000000, -0.0001378000000000, -0.0000365700000000 ] - [ -0.0010886600000000, 0.0000000000000000, 0.0016163800000000 ] - [ -0.0005528600000000, 0.0000000000000000, -0.0002971100000000 ] - [ -0.0007680300000000, 0.0005863000000000, 0.0006351200000000 ] - [ -0.0008151200000000, -0.0001385200000000, -0.0002340600000000 ] - [ -0.0007680300000000, -0.0005863000000000, 0.0006351200000000 ] - [ -0.0008151200000000, 0.0001385200000000, -0.0002340600000000 ] - [ 0.0007543000000000, 0.0008642000000000, 0.0019242600000000 ] - [ 0.0007567400000000, -0.0008616400000000, 0.0028718600000000 ] - [ -0.0000250100000000, 0.0000000000000000, 0.0023348200000000 ] - [ -0.0000205100000000, 0.0000000000000000, 0.0024623300000000 ] - [ 0.0007543000000000, -0.0008642000000000, 0.0019242600000000 ] - [ 0.0007567400000000, 0.0008616400000000, 0.0028718600000000 ] - [ 0.0033443200000000, 0.0033443500000000, -0.0034876500000000 ] - [ 0.0009618700000000, 0.0000684100000000, 0.0000276100000000 ] - [ 0.0007172000000000, 0.0000000000000000, -0.0002522100000000 ] - [ 0.0009975400000000, 0.0000000000000000, -0.0001033600000000 ] - [ 0.0033443200000000, -0.0033443500000000, -0.0034876500000000 ] - [ 0.0009618700000000, -0.0000684100000000, 0.0000276100000000 ] - [ 0.0013951300000000, -0.0032579700000000, 0.0031203000000000 ] - [ -0.0009056300000000, -0.0000701200000000, -0.0002935400000000 ] - [ -0.0011455800000000, 0.0000000000000000, -0.0000202300000000 ] - [ -0.0008706800000000, 0.0000000000000000, -0.0001641500000000 ] - [ 0.0013951300000000, 0.0032579700000000, 0.0031203000000000 ] - [ -0.0009056300000000, 0.0000701200000000, -0.0002935400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0189202800000000, 0.0011022500000000, 0.0081754300000000 ] - [ 0.0010218800000000, -0.0005041600000000, -0.0012543400000000 ] - [ 0.0004626300000000, 0.0044365700000000, -0.0017115400000000 ] - [ 0.0004661000000000, 0.0010204100000000, -0.0017161500000000 ] - [ 0.0196937900000000, 0.0011439700000000, -0.0115265900000000 ] - [ -0.0000909500000000, -0.0005022800000000, -0.0021803700000000 ] - [ 0.0189202800000000, 0.0011022500000000, 0.0081754300000000 ] - [ -0.0010218800000000, -0.0005041600000000, -0.0012543400000000 ] - [ -0.0004626300000000, 0.0044365700000000, -0.0017115400000000 ] - [ -0.0004661000000000, 0.0010204100000000, -0.0017161500000000 ] - [ -0.0196937900000000, 0.0011439700000000, -0.0115265900000000 ] - [ 0.0000909500000000, -0.0005022800000000, -0.0021803700000000 ] - [ 0.0000000000000000, -0.1277571900000000, 0.0011063200000000 ] - [ 0.0000000000000000, -0.0012390000000000, 0.0017761900000000 ] - [ 0.0000000000000000, 0.0232049400000000, -0.0029533300000000 ] - [ 0.0000000000000000, 0.0006136800000000, 0.0019450900000000 ] - [ 0.0000000000000000, 0.0229224200000000, 0.0064578500000000 ] - [ 0.0000000000000000, 0.0006157300000000, 0.0016061900000000 ] - [ 0.0000324200000000, -0.0037734700000000, -0.0010908000000000 ] - [ -0.0000324200000000, -0.0037734700000000, -0.0010908000000000 ] - [ -0.0022436000000000, 0.0019060200000000, -0.0009802800000000 ] - [ 0.0022436000000000, 0.0019060200000000, -0.0009802800000000 ] - [ 0.0022331800000000, 0.0019085000000000, -0.0012102500000000 ] - [ -0.0022331800000000, 0.0019085000000000, -0.0012102500000000 ] - [ 0.0004642000000000, -0.0066134900000000, -0.0017132500000000 ] - [ 0.0004651900000000, -0.0021326600000000, -0.0017150900000000 ] - [ -0.0007192500000000, 0.0035788400000000, -0.0037342500000000 ] - [ 0.0008950500000000, 0.0010769600000000, -0.0021431500000000 ] - [ 0.0016630600000000, 0.0035883000000000, 0.0003179700000000 ] - [ 0.0000354000000000, 0.0010760700000000, -0.0012879200000000 ] - [ -0.0004642000000000, -0.0066134900000000, -0.0017132500000000 ] - [ -0.0004651900000000, -0.0021326600000000, -0.0017150900000000 ] - [ 0.0007192500000000, 0.0035788400000000, -0.0037342500000000 ] - [ -0.0008950500000000, 0.0010769600000000, -0.0021431500000000 ] - [ -0.0016630600000000, 0.0035883000000000, 0.0003179700000000 ] - [ -0.0000354000000000, 0.0010760700000000, -0.0012879200000000 ] - [ 0.0000000000000000, -0.0012164600000000, 0.0006261100000000 ] - [ 0.0000000000000000, -0.0003477800000000, 0.0016383200000000 ] - [ 0.0000000000000000, 0.0023678300000000, 0.0017810400000000 ] - [ 0.0000000000000000, 0.0006908300000000, 0.0017780300000000 ] - [ 0.0000000000000000, -0.0012214100000000, 0.0029347100000000 ] - [ 0.0000000000000000, -0.0003481000000000, 0.0019166100000000 ] - [ -0.0003250400000000, -0.0006911100000000, -0.0015444000000000 ] - [ 0.0003250400000000, -0.0006911100000000, -0.0015444000000000 ] - [ 0.0000007500000000, 0.0013503700000000, -0.0010909000000000 ] - [ -0.0000007500000000, 0.0013503700000000, -0.0010909000000000 ] - [ 0.0003258400000000, -0.0006892400000000, -0.0006373000000000 ] - [ -0.0003258400000000, -0.0006892400000000, -0.0006373000000000 ] - [ 0.0000000000000000, 0.0203349300000000, 0.0101979200000000 ] - [ 0.0000000000000000, 0.0002635700000000, 0.0000902800000000 ] - [ 0.0000000000000000, -0.0057203900000000, 0.0000729900000000 ] - [ 0.0000000000000000, -0.0005207600000000, 0.0000744400000000 ] - [ 0.0000000000000000, 0.0188175800000000, -0.0090100200000000 ] - [ 0.0000000000000000, 0.0002627200000000, 0.0000582700000000 ] - [ -0.0004249200000000, 0.0160436800000000, -0.0001510200000000 ] - [ -0.0003873500000000, 0.0007963100000000, -0.0000911200000000 ] - [ -0.0040643600000000, -0.0040979200000000, -0.0008379100000000 ] - [ 0.0000701800000000, -0.0003897700000000, -0.0005187100000000 ] - [ 0.0032743700000000, -0.0040808800000000, 0.0006450400000000 ] - [ -0.0008354600000000, -0.0003916900000000, 0.0003256500000000 ] - [ 0.0017745700000000, 0.0010993700000000, 0.0015904900000000 ] - [ -0.0017745700000000, 0.0010993700000000, 0.0015904900000000 ] - [ 0.0000035200000000, -0.0018435100000000, 0.0007381400000000 ] - [ -0.0000035200000000, -0.0018435100000000, 0.0007381400000000 ] - [ -0.0017752400000000, 0.0010793700000000, -0.0001028900000000 ] - [ 0.0017752400000000, 0.0010793700000000, -0.0001028900000000 ] - [ 0.0004249200000000, 0.0160436800000000, -0.0001510200000000 ] - [ 0.0003873500000000, 0.0007963100000000, -0.0000911200000000 ] - [ 0.0040643600000000, -0.0040979200000000, -0.0008379100000000 ] - [ -0.0000701800000000, -0.0003897700000000, -0.0005187100000000 ] - [ -0.0032743700000000, -0.0040808800000000, 0.0006450400000000 ] - [ 0.0008354600000000, -0.0003916900000000, 0.0003256500000000 ] - [ 0.0000000000000000, 0.0020870900000000, 0.0000769900000000 ] - [ 0.0000000000000000, 0.0003986200000000, 0.0000738000000000 ] - [ 0.0000000000000000, -0.0010630600000000, 0.0012691500000000 ] - [ 0.0000000000000000, -0.0001843200000000, 0.0002813900000000 ] - [ 0.0000000000000000, -0.0010663200000000, -0.0011327500000000 ] - [ 0.0000000000000000, -0.0001832500000000, -0.0001345200000000 ] - [ -0.0009992800000000, 0.0010024500000000, 0.0011488600000000 ] - [ -0.0000745500000000, 0.0003429300000000, 0.0001345300000000 ] - [ -0.0003825800000000, -0.0023911100000000, -0.0000992500000000 ] - [ -0.0003831200000000, -0.0006799800000000, -0.0000966500000000 ] - [ 0.0002329500000000, 0.0010070100000000, -0.0013438000000000 ] - [ -0.0006922100000000, 0.0003426000000000, -0.0003278300000000 ] - [ 0.0000008000000000, 0.0008972700000000, 0.0007376800000000 ] - [ -0.0000008000000000, 0.0008972700000000, 0.0007376800000000 ] - [ 0.0005092500000000, -0.0004728100000000, 0.0013032800000000 ] - [ -0.0005092500000000, -0.0004728100000000, 0.0013032800000000 ] - [ -0.0005149900000000, -0.0004721500000000, 0.0001656900000000 ] - [ 0.0005149900000000, -0.0004721500000000, 0.0001656900000000 ] - [ 0.0009992800000000, 0.0010024500000000, 0.0011488600000000 ] - [ 0.0000745500000000, 0.0003429300000000, 0.0001345300000000 ] - [ 0.0003825800000000, -0.0023911100000000, -0.0000992500000000 ] - [ 0.0003831200000000, -0.0006799800000000, -0.0000966500000000 ] - [ -0.0002329500000000, 0.0010070100000000, -0.0013438000000000 ] - [ 0.0006922100000000, 0.0003426000000000, -0.0003278300000000 ] - [ 0.0000034200000000, 0.0013389800000000, 0.0023963200000000 ] - [ -0.0000034200000000, 0.0013389800000000, 0.0023963200000000 ] - [ 0.0005100000000000, -0.0006642600000000, 0.0020268100000000 ] - [ -0.0005100000000000, -0.0006642600000000, 0.0020268100000000 ] - [ -0.0005073100000000, -0.0006631600000000, 0.0027654300000000 ] - [ 0.0005073100000000, -0.0006631600000000, 0.0027654300000000 ] - [ 0.0009336800000000, 0.0013198500000000, -0.0001360600000000 ] - [ 0.0009317900000000, 0.0002238700000000, -0.0001347700000000 ] - [ 0.0012691200000000, -0.0006160200000000, -0.0007292200000000 ] - [ 0.0007196800000000, -0.0000986800000000, -0.0001783700000000 ] - [ 0.0005990100000000, -0.0006162000000000, 0.0004571400000000 ] - [ 0.0011462600000000, -0.0000988900000000, -0.0000906900000000 ] - [ -0.0009336800000000, 0.0013198500000000, -0.0001360600000000 ] - [ -0.0009317900000000, 0.0002238700000000, -0.0001347700000000 ] - [ -0.0012691200000000, -0.0006160200000000, -0.0007292200000000 ] - [ -0.0007196800000000, -0.0000986800000000, -0.0001783700000000 ] - [ -0.0005990100000000, -0.0006162000000000, 0.0004571400000000 ] - [ -0.0011462600000000, -0.0000988900000000, -0.0000906900000000 ] - [ 0.0018124900000000, 0.0003644200000000, 0.0031223500000000 ] - [ -0.0018124900000000, 0.0003644200000000, 0.0031223500000000 ] - [ -0.0000001200000000, -0.0008317300000000, 0.0023980900000000 ] - [ 0.0000001200000000, -0.0008317300000000, 0.0023980900000000 ] - [ -0.0018073900000000, 0.0003619400000000, 0.0016728700000000 ] - [ 0.0018073900000000, 0.0003619400000000, 0.0016728700000000 ] - [ 0.0060345700000000, 0.0060452000000000, -0.0029503400000000 ] - [ 0.0001531300000000, 0.0001002400000000, -0.0000493400000000 ] - [ 0.0009320100000000, -0.0027394200000000, -0.0001263200000000 ] - [ 0.0009331200000000, -0.0002838100000000, -0.0001336400000000 ] - [ -0.0040343100000000, 0.0058279900000000, 0.0024663200000000 ] - [ 0.0017168100000000, 0.0001007300000000, -0.0002191300000000 ] - [ -0.0060345700000000, 0.0060452000000000, -0.0029503400000000 ] - [ -0.0001531300000000, 0.0001002400000000, -0.0000493400000000 ] - [ -0.0009320100000000, -0.0027394200000000, -0.0001263200000000 ] - [ -0.0009331200000000, -0.0002838100000000, -0.0001336400000000 ] - [ 0.0040343100000000, 0.0058279900000000, 0.0024663200000000 ] - [ -0.0017168100000000, 0.0001007300000000, -0.0002191300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0139201700000000, 0.0103835300000000, 0.0047874300000000 ] - [ 0.0014196000000000, 0.0004744500000000, -0.0020716400000000 ] - [ 0.0000918200000000, 0.0000000000000000, -0.0017648000000000 ] - [ 0.0008961000000000, 0.0000000000000000, -0.0022030900000000 ] - [ -0.0139201700000000, -0.0103835300000000, 0.0047874300000000 ] - [ 0.0014196000000000, -0.0004744500000000, -0.0020716400000000 ] - [ 0.0139201700000000, 0.0103835300000000, 0.0047874300000000 ] - [ -0.0014196000000000, 0.0004744500000000, -0.0020716400000000 ] - [ -0.0000918200000000, 0.0000000000000000, -0.0017648000000000 ] - [ -0.0008961000000000, 0.0000000000000000, -0.0022030900000000 ] - [ 0.0139201700000000, -0.0103835300000000, 0.0047874300000000 ] - [ -0.0014196000000000, -0.0004744500000000, -0.0020716400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1176834000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003307600000000 ] - [ 0.0000000000000000, 0.0046717800000000, -0.0076800400000000 ] - [ 0.0000000000000000, -0.0001693900000000, 0.0007737600000000 ] - [ 0.0000000000000000, -0.0046717800000000, -0.0076800400000000 ] - [ 0.0000000000000000, 0.0001693900000000, 0.0007737600000000 ] - [ -0.0022056300000000, 0.0000000000000000, -0.0057107100000000 ] - [ 0.0022056300000000, 0.0000000000000000, -0.0057107100000000 ] - [ 0.0000464900000000, -0.0000280600000000, -0.0034586000000000 ] - [ -0.0000464900000000, -0.0000280600000000, -0.0034586000000000 ] - [ 0.0000464900000000, 0.0000280600000000, -0.0034586000000000 ] - [ -0.0000464900000000, 0.0000280600000000, -0.0034586000000000 ] - [ 0.0021190600000000, 0.0000000000000000, 0.0030601800000000 ] - [ -0.0002029200000000, 0.0000000000000000, -0.0005194800000000 ] - [ 0.0013035400000000, -0.0018018600000000, 0.0010436000000000 ] - [ -0.0000617700000000, -0.0006066000000000, -0.0008871300000000 ] - [ 0.0013035400000000, 0.0018018600000000, 0.0010436000000000 ] - [ -0.0000617700000000, 0.0006066000000000, -0.0008871300000000 ] - [ -0.0021190600000000, 0.0000000000000000, 0.0030601800000000 ] - [ 0.0002029200000000, 0.0000000000000000, -0.0005194800000000 ] - [ -0.0013035400000000, -0.0018018600000000, 0.0010436000000000 ] - [ 0.0000617700000000, -0.0006066000000000, -0.0008871300000000 ] - [ -0.0013035400000000, 0.0018018600000000, 0.0010436000000000 ] - [ 0.0000617700000000, 0.0006066000000000, -0.0008871300000000 ] - [ 0.0000000000000000, 0.0011674200000000, 0.0052911400000000 ] - [ 0.0000000000000000, 0.0001396800000000, 0.0028778000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038565300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026429200000000 ] - [ 0.0000000000000000, -0.0011674200000000, 0.0052911400000000 ] - [ 0.0000000000000000, -0.0001396800000000, 0.0028778000000000 ] - [ -0.0001443600000000, 0.0003742900000000, 0.0007975500000000 ] - [ 0.0001443600000000, 0.0003742900000000, 0.0007975500000000 ] - [ 0.0000122200000000, 0.0000000000000000, 0.0002664100000000 ] - [ -0.0000122200000000, 0.0000000000000000, 0.0002664100000000 ] - [ -0.0001443600000000, -0.0003742900000000, 0.0007975500000000 ] - [ 0.0001443600000000, -0.0003742900000000, 0.0007975500000000 ] - [ 0.0000000000000000, 0.0083981200000000, 0.0208151400000000 ] - [ 0.0000000000000000, -0.0000771800000000, 0.0007412900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005024700000000 ] - [ 0.0000000000000000, -0.0083981200000000, 0.0208151400000000 ] - [ 0.0000000000000000, 0.0000771800000000, 0.0007412900000000 ] - [ 0.0134275800000000, 0.0000000000000000, 0.0210703400000000 ] - [ 0.0005754100000000, 0.0000000000000000, 0.0000553200000000 ] - [ -0.0017781500000000, -0.0019593900000000, 0.0020671700000000 ] - [ -0.0000863500000000, -0.0002193800000000, 0.0004177200000000 ] - [ -0.0017781500000000, 0.0019593900000000, 0.0020671700000000 ] - [ -0.0000863500000000, 0.0002193800000000, 0.0004177200000000 ] - [ 0.0021674600000000, -0.0012215100000000, 0.0020992600000000 ] - [ -0.0021674600000000, -0.0012215100000000, 0.0020992600000000 ] - [ 0.0004905700000000, 0.0000000000000000, 0.0012296100000000 ] - [ -0.0004905700000000, 0.0000000000000000, 0.0012296100000000 ] - [ 0.0021674600000000, 0.0012215100000000, 0.0020992600000000 ] - [ -0.0021674600000000, 0.0012215100000000, 0.0020992600000000 ] - [ -0.0134275800000000, 0.0000000000000000, 0.0210703400000000 ] - [ -0.0005754100000000, 0.0000000000000000, 0.0000553200000000 ] - [ 0.0017781500000000, -0.0019593900000000, 0.0020671700000000 ] - [ 0.0000863500000000, -0.0002193800000000, 0.0004177200000000 ] - [ 0.0017781500000000, 0.0019593900000000, 0.0020671700000000 ] - [ 0.0000863500000000, 0.0002193800000000, 0.0004177200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006327200000000 ] - [ 0.0000000000000000, 0.0000982400000000, -0.0017119800000000 ] - [ 0.0000000000000000, -0.0000012100000000, -0.0004422200000000 ] - [ 0.0000000000000000, -0.0000982400000000, -0.0017119800000000 ] - [ 0.0000000000000000, 0.0000012100000000, -0.0004422200000000 ] - [ -0.0004748200000000, 0.0000882000000000, -0.0022312200000000 ] - [ -0.0005919600000000, 0.0000856700000000, -0.0009331900000000 ] - [ -0.0007126700000000, 0.0000000000000000, -0.0014739500000000 ] - [ -0.0004463600000000, 0.0000000000000000, -0.0006437000000000 ] - [ -0.0004748200000000, -0.0000882000000000, -0.0022312200000000 ] - [ -0.0005919600000000, -0.0000856700000000, -0.0009331900000000 ] - [ -0.0004584200000000, 0.0000000000000000, -0.0006216400000000 ] - [ 0.0004584200000000, 0.0000000000000000, -0.0006216400000000 ] - [ -0.0004861300000000, 0.0000815400000000, -0.0002379200000000 ] - [ 0.0004861300000000, 0.0000815400000000, -0.0002379200000000 ] - [ -0.0004861300000000, -0.0000815400000000, -0.0002379200000000 ] - [ 0.0004861300000000, -0.0000815400000000, -0.0002379200000000 ] - [ 0.0004748200000000, 0.0000882000000000, -0.0022312200000000 ] - [ 0.0005919600000000, 0.0000856700000000, -0.0009331900000000 ] - [ 0.0007126700000000, 0.0000000000000000, -0.0014739500000000 ] - [ 0.0004463600000000, 0.0000000000000000, -0.0006437000000000 ] - [ 0.0004748200000000, -0.0000882000000000, -0.0022312200000000 ] - [ 0.0005919600000000, -0.0000856700000000, -0.0009331900000000 ] - [ 0.0012343400000000, 0.0000000000000000, 0.0016066200000000 ] - [ -0.0012343400000000, 0.0000000000000000, 0.0016066200000000 ] - [ 0.0005089900000000, -0.0004784400000000, 0.0019373200000000 ] - [ -0.0005089900000000, -0.0004784400000000, 0.0019373200000000 ] - [ 0.0005089900000000, 0.0004784400000000, 0.0019373200000000 ] - [ -0.0005089900000000, 0.0004784400000000, 0.0019373200000000 ] - [ 0.0023917700000000, 0.0000000000000000, -0.0025381100000000 ] - [ 0.0003889000000000, 0.0000000000000000, -0.0003513600000000 ] - [ 0.0013987900000000, -0.0005400500000000, -0.0010341600000000 ] - [ 0.0007312700000000, -0.0000562900000000, -0.0003298000000000 ] - [ 0.0013987900000000, 0.0005400500000000, -0.0010341600000000 ] - [ 0.0007312700000000, 0.0000562900000000, -0.0003298000000000 ] - [ -0.0023917700000000, 0.0000000000000000, -0.0025381100000000 ] - [ -0.0003889000000000, 0.0000000000000000, -0.0003513600000000 ] - [ -0.0013987900000000, -0.0005400500000000, -0.0010341600000000 ] - [ -0.0007312700000000, -0.0000562900000000, -0.0003298000000000 ] - [ -0.0013987900000000, 0.0005400500000000, -0.0010341600000000 ] - [ -0.0007312700000000, 0.0000562900000000, -0.0003298000000000 ] - [ -0.0017389200000000, 0.0001827100000000, 0.0022162700000000 ] - [ 0.0017389200000000, 0.0001827100000000, 0.0022162700000000 ] - [ -0.0002215700000000, 0.0000000000000000, 0.0026487700000000 ] - [ 0.0002215700000000, 0.0000000000000000, 0.0026487700000000 ] - [ -0.0017389200000000, -0.0001827100000000, 0.0022162700000000 ] - [ 0.0017389200000000, -0.0001827100000000, 0.0022162700000000 ] - [ -0.0043037000000000, -0.0048500300000000, 0.0063666600000000 ] - [ 0.0016187800000000, 0.0000516300000000, -0.0000200700000000 ] - [ 0.0003181900000000, 0.0000000000000000, 0.0010151100000000 ] - [ 0.0010527700000000, 0.0000000000000000, 0.0000164500000000 ] - [ -0.0043037000000000, 0.0048500300000000, 0.0063666600000000 ] - [ 0.0016187800000000, -0.0000516300000000, -0.0000200700000000 ] - [ 0.0043037000000000, -0.0048500300000000, 0.0063666600000000 ] - [ -0.0016187800000000, 0.0000516300000000, -0.0000200700000000 ] - [ -0.0003181900000000, 0.0000000000000000, 0.0010151100000000 ] - [ -0.0010527700000000, 0.0000000000000000, 0.0000164500000000 ] - [ 0.0043037000000000, 0.0048500300000000, 0.0063666600000000 ] - [ -0.0016187800000000, -0.0000516300000000, -0.0000200700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0147869900000000, -0.0103271900000000, -0.0082470100000000 ] - [ -0.0005032000000000, -0.0004765100000000, -0.0013678300000000 ] - [ 0.0008377800000000, 0.0000000000000000, -0.0016694100000000 ] - [ 0.0000309500000000, 0.0000000000000000, -0.0012303500000000 ] - [ 0.0147869900000000, 0.0103271900000000, -0.0082470100000000 ] - [ -0.0005032000000000, 0.0004765100000000, -0.0013678300000000 ] - [ -0.0147869900000000, -0.0103271900000000, -0.0082470100000000 ] - [ 0.0005032000000000, -0.0004765100000000, -0.0013678300000000 ] - [ -0.0008377800000000, 0.0000000000000000, -0.0016694100000000 ] - [ -0.0000309500000000, 0.0000000000000000, -0.0012303500000000 ] - [ -0.0147869900000000, 0.0103271900000000, -0.0082470100000000 ] - [ 0.0005032000000000, 0.0004765100000000, -0.0013678300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1206640600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032263900000000 ] - [ 0.0000000000000000, -0.0047437400000000, 0.0112858100000000 ] - [ 0.0000000000000000, 0.0001745400000000, 0.0027816700000000 ] - [ 0.0000000000000000, 0.0047437400000000, 0.0112858100000000 ] - [ 0.0000000000000000, -0.0001745400000000, 0.0027816700000000 ] - [ 0.0022594500000000, 0.0000000000000000, 0.0035797600000000 ] - [ -0.0022594500000000, 0.0000000000000000, 0.0035797600000000 ] - [ -0.0000460100000000, 0.0000239000000000, 0.0012949900000000 ] - [ 0.0000460100000000, 0.0000239000000000, 0.0012949900000000 ] - [ -0.0000460100000000, -0.0000239000000000, 0.0012949900000000 ] - [ 0.0000460100000000, -0.0000239000000000, 0.0012949900000000 ] - [ -0.0012130700000000, 0.0000000000000000, -0.0065142300000000 ] - [ 0.0011343300000000, 0.0000000000000000, -0.0029162800000000 ] - [ -0.0003799900000000, 0.0018131600000000, -0.0044848200000000 ] - [ 0.0009897300000000, 0.0006107700000000, -0.0025499700000000 ] - [ -0.0003799900000000, -0.0018131600000000, -0.0044848200000000 ] - [ 0.0009897300000000, -0.0006107700000000, -0.0025499700000000 ] - [ 0.0012130700000000, 0.0000000000000000, -0.0065142300000000 ] - [ -0.0011343300000000, 0.0000000000000000, -0.0029162800000000 ] - [ 0.0003799900000000, 0.0018131600000000, -0.0044848200000000 ] - [ -0.0009897300000000, 0.0006107700000000, -0.0025499700000000 ] - [ 0.0003799900000000, -0.0018131600000000, -0.0044848200000000 ] - [ -0.0009897300000000, -0.0006107700000000, -0.0025499700000000 ] - [ 0.0000000000000000, -0.0011428100000000, -0.0017474100000000 ] - [ 0.0000000000000000, -0.0001372800000000, 0.0006665900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003129000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009008600000000 ] - [ 0.0000000000000000, 0.0011428100000000, -0.0017474100000000 ] - [ 0.0000000000000000, 0.0001372800000000, 0.0006665900000000 ] - [ 0.0001388700000000, -0.0003675200000000, -0.0029828000000000 ] - [ -0.0001388700000000, -0.0003675200000000, -0.0029828000000000 ] - [ -0.0000069300000000, 0.0000000000000000, -0.0024476400000000 ] - [ 0.0000069300000000, 0.0000000000000000, -0.0024476400000000 ] - [ 0.0001388700000000, 0.0003675200000000, -0.0029828000000000 ] - [ -0.0001388700000000, 0.0003675200000000, -0.0029828000000000 ] - [ 0.0000000000000000, -0.0075540200000000, -0.0201772800000000 ] - [ 0.0000000000000000, 0.0000774800000000, -0.0006016100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003416600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003633600000000 ] - [ 0.0000000000000000, 0.0075540200000000, -0.0201772800000000 ] - [ 0.0000000000000000, -0.0000774800000000, -0.0006016100000000 ] - [ -0.0135844100000000, 0.0000000000000000, -0.0211701000000000 ] - [ -0.0013530600000000, 0.0000000000000000, -0.0002385700000000 ] - [ 0.0010237300000000, 0.0019670600000000, -0.0022684100000000 ] - [ -0.0006834500000000, 0.0002211300000000, -0.0006083500000000 ] - [ 0.0010237300000000, -0.0019670600000000, -0.0022684100000000 ] - [ -0.0006834500000000, -0.0002211300000000, -0.0006083500000000 ] - [ -0.0021854100000000, 0.0012394200000000, -0.0006218700000000 ] - [ 0.0021854100000000, 0.0012394200000000, -0.0006218700000000 ] - [ -0.0004944400000000, 0.0000000000000000, 0.0002492600000000 ] - [ 0.0004944400000000, 0.0000000000000000, 0.0002492600000000 ] - [ -0.0021854100000000, -0.0012394200000000, -0.0006218700000000 ] - [ 0.0021854100000000, -0.0012394200000000, -0.0006218700000000 ] - [ 0.0135844100000000, 0.0000000000000000, -0.0211701000000000 ] - [ 0.0013530600000000, 0.0000000000000000, -0.0002385700000000 ] - [ -0.0010237300000000, 0.0019670600000000, -0.0022684100000000 ] - [ 0.0006834500000000, 0.0002211300000000, -0.0006083500000000 ] - [ -0.0010237300000000, -0.0019670600000000, -0.0022684100000000 ] - [ 0.0006834500000000, -0.0002211300000000, -0.0006083500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033834000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007788000000000 ] - [ 0.0000000000000000, -0.0001059600000000, 0.0018582100000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0005877000000000 ] - [ 0.0000000000000000, 0.0001059600000000, 0.0018582100000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0005877000000000 ] - [ -0.0002946500000000, -0.0000960100000000, 0.0020430800000000 ] - [ -0.0001715500000000, -0.0000868400000000, 0.0007471800000000 ] - [ -0.0000521200000000, 0.0000000000000000, 0.0012881200000000 ] - [ -0.0003185100000000, 0.0000000000000000, 0.0004563700000000 ] - [ -0.0002946500000000, 0.0000960100000000, 0.0020430800000000 ] - [ -0.0001715500000000, 0.0000868400000000, 0.0007471800000000 ] - [ 0.0004625800000000, 0.0000000000000000, 0.0021068700000000 ] - [ -0.0004625800000000, 0.0000000000000000, 0.0021068700000000 ] - [ 0.0004860800000000, -0.0000838600000000, 0.0017200200000000 ] - [ -0.0004860800000000, -0.0000838600000000, 0.0017200200000000 ] - [ 0.0004860800000000, 0.0000838600000000, 0.0017200200000000 ] - [ -0.0004860800000000, 0.0000838600000000, 0.0017200200000000 ] - [ 0.0002946500000000, -0.0000960100000000, 0.0020430800000000 ] - [ 0.0001715500000000, -0.0000868400000000, 0.0007471800000000 ] - [ 0.0000521200000000, 0.0000000000000000, 0.0012881200000000 ] - [ 0.0003185100000000, 0.0000000000000000, 0.0004563700000000 ] - [ 0.0002946500000000, 0.0000960100000000, 0.0020430800000000 ] - [ 0.0001715500000000, 0.0000868400000000, 0.0007471800000000 ] - [ -0.0012280600000000, 0.0000000000000000, 0.0031876600000000 ] - [ 0.0012280600000000, 0.0000000000000000, 0.0031876600000000 ] - [ -0.0005122300000000, 0.0004798900000000, 0.0028541400000000 ] - [ 0.0005122300000000, 0.0004798900000000, 0.0028541400000000 ] - [ -0.0005122300000000, -0.0004798900000000, 0.0028541400000000 ] - [ 0.0005122300000000, -0.0004798900000000, 0.0028541400000000 ] - [ -0.0005114500000000, 0.0000000000000000, 0.0022476800000000 ] - [ 0.0014741600000000, 0.0000000000000000, 0.0000855800000000 ] - [ 0.0004646500000000, 0.0005396200000000, 0.0007726800000000 ] - [ 0.0011359400000000, 0.0000562800000000, 0.0000628100000000 ] - [ 0.0004646500000000, -0.0005396200000000, 0.0007726800000000 ] - [ 0.0011359400000000, -0.0000562800000000, 0.0000628100000000 ] - [ 0.0005114500000000, 0.0000000000000000, 0.0022476800000000 ] - [ -0.0014741600000000, 0.0000000000000000, 0.0000855800000000 ] - [ -0.0004646500000000, 0.0005396200000000, 0.0007726800000000 ] - [ -0.0011359400000000, 0.0000562800000000, 0.0000628100000000 ] - [ -0.0004646500000000, -0.0005396200000000, 0.0007726800000000 ] - [ -0.0011359400000000, -0.0000562800000000, 0.0000628100000000 ] - [ 0.0017551900000000, -0.0001830800000000, 0.0025701300000000 ] - [ -0.0017551900000000, -0.0001830800000000, 0.0025701300000000 ] - [ 0.0002213300000000, 0.0000000000000000, 0.0021372100000000 ] - [ -0.0002213300000000, 0.0000000000000000, 0.0021372100000000 ] - [ 0.0017551900000000, 0.0001830800000000, 0.0025701300000000 ] - [ -0.0017551900000000, 0.0001830800000000, 0.0025701300000000 ] - [ 0.0063137800000000, 0.0050321200000000, -0.0067847900000000 ] - [ 0.0002447700000000, -0.0000524800000000, -0.0002483800000000 ] - [ 0.0015477000000000, 0.0000000000000000, -0.0012896500000000 ] - [ 0.0008125300000000, 0.0000000000000000, -0.0002853200000000 ] - [ 0.0063137800000000, -0.0050321200000000, -0.0067847900000000 ] - [ 0.0002447700000000, 0.0000524800000000, -0.0002483800000000 ] - [ -0.0063137800000000, 0.0050321200000000, -0.0067847900000000 ] - [ -0.0002447700000000, -0.0000524800000000, -0.0002483800000000 ] - [ -0.0015477000000000, 0.0000000000000000, -0.0012896500000000 ] - [ -0.0008125300000000, 0.0000000000000000, -0.0002853200000000 ] - [ -0.0063137800000000, -0.0050321200000000, -0.0067847900000000 ] - [ -0.0002447700000000, 0.0000524800000000, -0.0002483800000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000619100000000, 0.0170635100000000, 0.0108599500000000 ] - [ 0.0029666300000000, -0.0006044200000000, -0.0026994200000000 ] - [ -0.0006341300000000, 0.0000000000000000, -0.0009355400000000 ] - [ 0.0014409100000000, 0.0000000000000000, -0.0021114600000000 ] - [ -0.0000619100000000, -0.0170635100000000, 0.0108599500000000 ] - [ 0.0029666300000000, 0.0006044200000000, -0.0026994200000000 ] - [ 0.0020369800000000, 0.0006071800000000, -0.0007273500000000 ] - [ -0.0009555400000000, -0.0169368300000000, -0.0141887300000000 ] - [ 0.0005086700000000, 0.0000000000000000, -0.0013180400000000 ] - [ -0.0015574100000000, 0.0000000000000000, -0.0025021900000000 ] - [ 0.0020369800000000, -0.0006071800000000, -0.0007273500000000 ] - [ -0.0009555400000000, 0.0169368300000000, -0.0141887300000000 ] - [ 0.0182042300000000, 0.0000000000000000, -0.0004472900000000 ] - [ 0.0180332600000000, 0.0000000000000000, 0.0040251200000000 ] - [ 0.0008631300000000, 0.0022441100000000, 0.0018245700000000 ] - [ 0.0008679500000000, -0.0022314100000000, 0.0017337100000000 ] - [ 0.0008631300000000, -0.0022441100000000, 0.0018245700000000 ] - [ 0.0008679500000000, 0.0022314100000000, 0.0017337100000000 ] - [ -0.0971898000000000, 0.0000000000000000, -0.0023913200000000 ] - [ 0.0028859600000000, 0.0000000000000000, -0.0010918300000000 ] - [ -0.0037987300000000, -0.0000427300000000, -0.0010920400000000 ] - [ 0.0015861700000000, 0.0000028100000000, -0.0010914700000000 ] - [ -0.0037987300000000, 0.0000427300000000, -0.0010920400000000 ] - [ 0.0015861700000000, -0.0000028100000000, -0.0010914700000000 ] - [ -0.0011590500000000, 0.0000000000000000, -0.0041025200000000 ] - [ 0.0017863100000000, 0.0000000000000000, -0.0011921600000000 ] - [ -0.0012731700000000, 0.0005066500000000, -0.0024557300000000 ] - [ 0.0015853200000000, -0.0003476600000000, -0.0012344600000000 ] - [ -0.0012731700000000, -0.0005066500000000, -0.0024557300000000 ] - [ 0.0015853200000000, 0.0003476600000000, -0.0012344600000000 ] - [ 0.0008534500000000, 0.0000000000000000, -0.0022452000000000 ] - [ -0.0020504900000000, 0.0000000000000000, 0.0006689500000000 ] - [ 0.0006547000000000, 0.0003531400000000, -0.0022039000000000 ] - [ -0.0021720200000000, -0.0005150800000000, -0.0009703300000000 ] - [ 0.0006547000000000, -0.0003531400000000, -0.0022039000000000 ] - [ -0.0021720200000000, 0.0005150800000000, -0.0009703300000000 ] - [ 0.0003460000000000, 0.0003265700000000, 0.0016340800000000 ] - [ 0.0003535000000000, -0.0003262900000000, 0.0019192500000000 ] - [ 0.0002030900000000, 0.0000000000000000, 0.0017893200000000 ] - [ 0.0002071500000000, 0.0000000000000000, 0.0017654800000000 ] - [ 0.0003460000000000, -0.0003265700000000, 0.0016340800000000 ] - [ 0.0003535000000000, 0.0003262900000000, 0.0019192500000000 ] - [ -0.0010874000000000, -0.0000015000000000, -0.0010842700000000 ] - [ 0.0008430600000000, 0.0000016100000000, -0.0010909800000000 ] - [ -0.0009600900000000, 0.0000000000000000, -0.0010892400000000 ] - [ 0.0008689200000000, 0.0000000000000000, -0.0010895300000000 ] - [ -0.0010874000000000, 0.0000015000000000, -0.0010842700000000 ] - [ 0.0008430600000000, -0.0000016100000000, -0.0010909800000000 ] - [ -0.0032305900000000, -0.0034169400000000, -0.0010518500000000 ] - [ -0.0032223300000000, 0.0034026200000000, 0.0011883000000000 ] - [ -0.0001655800000000, 0.0000000000000000, -0.0005148800000000 ] - [ -0.0001709200000000, 0.0000000000000000, 0.0006627700000000 ] - [ -0.0032305900000000, 0.0034169400000000, -0.0010518500000000 ] - [ -0.0032223300000000, -0.0034026200000000, 0.0011883000000000 ] - [ -0.0038734600000000, 0.0000000000000000, -0.0013372200000000 ] - [ 0.0232141100000000, 0.0000000000000000, -0.0073863500000000 ] - [ -0.0016386300000000, -0.0004748400000000, -0.0001354600000000 ] - [ 0.0010461000000000, 0.0016541400000000, -0.0008982800000000 ] - [ -0.0016386300000000, 0.0004748400000000, -0.0001354600000000 ] - [ 0.0010461000000000, -0.0016541400000000, -0.0008982800000000 ] - [ 0.0143806300000000, -0.0001370500000000, 0.0006841600000000 ] - [ -0.0014729700000000, -0.0000008900000000, 0.0007367900000000 ] - [ 0.0013652500000000, 0.0000000000000000, 0.0007454400000000 ] - [ -0.0008292800000000, 0.0000000000000000, 0.0007365200000000 ] - [ 0.0143806300000000, 0.0001370500000000, 0.0006841600000000 ] - [ -0.0014729700000000, 0.0000008900000000, 0.0007367900000000 ] - [ 0.0259205800000000, 0.0000000000000000, 0.0083578900000000 ] - [ -0.0031003500000000, 0.0000000000000000, 0.0011320600000000 ] - [ 0.0018327200000000, -0.0016516900000000, 0.0007102300000000 ] - [ -0.0008740000000000, 0.0004710100000000, -0.0000592500000000 ] - [ 0.0018327200000000, 0.0016516900000000, 0.0007102300000000 ] - [ -0.0008740000000000, -0.0004710100000000, -0.0000592500000000 ] - [ -0.0002592600000000, 0.0000000000000000, 0.0002384200000000 ] - [ -0.0002709200000000, 0.0000000000000000, -0.0000882200000000 ] - [ -0.0000817300000000, -0.0002368700000000, 0.0002803600000000 ] - [ -0.0000914400000000, 0.0002353700000000, -0.0001305200000000 ] - [ -0.0000817300000000, 0.0002368700000000, 0.0002803600000000 ] - [ -0.0000914400000000, -0.0002353700000000, -0.0001305200000000 ] - [ -0.0010446900000000, -0.0000595900000000, 0.0000946100000000 ] - [ 0.0004732900000000, 0.0001954100000000, -0.0004196300000000 ] - [ -0.0009068500000000, 0.0000000000000000, 0.0000515900000000 ] - [ 0.0000807600000000, 0.0000000000000000, -0.0002821700000000 ] - [ -0.0010446900000000, 0.0000595900000000, 0.0000946100000000 ] - [ 0.0004732900000000, -0.0001954100000000, -0.0004196300000000 ] - [ 0.0010695500000000, 0.0000000000000000, 0.0007313500000000 ] - [ -0.0007403800000000, 0.0000000000000000, 0.0007375200000000 ] - [ 0.0010322900000000, 0.0000049900000000, 0.0007300800000000 ] - [ -0.0007549200000000, -0.0000004500000000, 0.0007370700000000 ] - [ 0.0010322900000000, -0.0000049900000000, 0.0007300800000000 ] - [ -0.0007549200000000, 0.0000004500000000, 0.0007370700000000 ] - [ 0.0012497100000000, -0.0001932700000000, 0.0002197100000000 ] - [ -0.0002801500000000, 0.0000588900000000, -0.0002857900000000 ] - [ 0.0008471000000000, 0.0000000000000000, 0.0000843300000000 ] - [ -0.0001419800000000, 0.0000000000000000, -0.0002442500000000 ] - [ 0.0012497100000000, 0.0001932700000000, 0.0002197100000000 ] - [ -0.0002801500000000, -0.0000588900000000, -0.0002857900000000 ] - [ 0.0027603400000000, 0.0000000000000000, 0.0023907700000000 ] - [ -0.0006237000000000, 0.0000000000000000, 0.0023957600000000 ] - [ 0.0013545700000000, -0.0000030600000000, 0.0023953200000000 ] - [ -0.0005347300000000, -0.0000007300000000, 0.0023961500000000 ] - [ 0.0013545700000000, 0.0000030600000000, 0.0023953200000000 ] - [ -0.0005347300000000, 0.0000007300000000, 0.0023961500000000 ] - [ 0.0017489200000000, 0.0000000000000000, -0.0002181500000000 ] - [ -0.0002202800000000, 0.0000000000000000, 0.0013455600000000 ] - [ 0.0013532500000000, -0.0001291500000000, -0.0002153800000000 ] - [ 0.0002644700000000, 0.0004524800000000, 0.0004864900000000 ] - [ 0.0013532500000000, 0.0001291500000000, -0.0002153800000000 ] - [ 0.0002644700000000, -0.0004524800000000, 0.0004864900000000 ] - [ -0.0020885500000000, 0.0000000000000000, -0.0016164900000000 ] - [ -0.0001182000000000, 0.0000000000000000, -0.0000529900000000 ] - [ -0.0016023500000000, -0.0004542200000000, -0.0007566300000000 ] - [ -0.0005133400000000, 0.0001290800000000, -0.0000545000000000 ] - [ -0.0016023500000000, 0.0004542200000000, -0.0007566300000000 ] - [ -0.0005133400000000, -0.0001290800000000, -0.0000545000000000 ] - [ 0.0021764800000000, 0.0000113900000000, 0.0023916400000000 ] - [ -0.0023535500000000, 0.0000014000000000, 0.0023963900000000 ] - [ 0.0005503600000000, 0.0000000000000000, 0.0023944500000000 ] - [ -0.0006356300000000, 0.0000000000000000, 0.0023972300000000 ] - [ 0.0021764800000000, -0.0000113900000000, 0.0023916400000000 ] - [ -0.0023535500000000, -0.0000014000000000, 0.0023963900000000 ] - [ 0.0022975200000000, -0.0013749100000000, 0.0011428800000000 ] - [ -0.0017648200000000, 0.0010422700000000, -0.0011891700000000 ] - [ 0.0014360100000000, 0.0000000000000000, 0.0001000500000000 ] - [ 0.0005092600000000, 0.0000000000000000, -0.0003284800000000 ] - [ 0.0022975200000000, 0.0013749100000000, 0.0011428800000000 ] - [ -0.0017648200000000, -0.0010422700000000, -0.0011891700000000 ] - [ -0.0036761300000000, -0.0010619000000000, 0.0009401400000000 ] - [ 0.0004179000000000, 0.0013607600000000, -0.0013958900000000 ] - [ -0.0013602400000000, 0.0000000000000000, 0.0000608700000000 ] - [ -0.0004321200000000, 0.0000000000000000, -0.0003676200000000 ] - [ -0.0036761300000000, 0.0010619000000000, 0.0009401400000000 ] - [ 0.0004179000000000, -0.0013607600000000, -0.0013958900000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0178521700000000, 0.0002841600000000, 0.0115368200000000 ] - [ -0.0001947400000000, -0.0005267500000000, -0.0013015200000000 ] - [ 0.0004702100000000, 0.0048508900000000, -0.0017085200000000 ] - [ 0.0004633300000000, 0.0010457800000000, -0.0017164300000000 ] - [ -0.0167749200000000, 0.0003380000000000, -0.0148613700000000 ] - [ 0.0011291700000000, -0.0005208500000000, -0.0021329800000000 ] - [ 0.0001947400000000, -0.0005267500000000, -0.0013015200000000 ] - [ -0.0178521700000000, 0.0002841600000000, 0.0115368200000000 ] - [ -0.0004633300000000, 0.0010457800000000, -0.0017164300000000 ] - [ -0.0004702100000000, 0.0048508900000000, -0.0017085200000000 ] - [ -0.0011291700000000, -0.0005208500000000, -0.0021329800000000 ] - [ 0.0167749200000000, 0.0003380000000000, -0.0148613700000000 ] - [ -0.0000374000000000, -0.0037715800000000, 0.0017829400000000 ] - [ 0.0000374000000000, -0.0037715800000000, 0.0017829400000000 ] - [ 0.0021131700000000, 0.0019030600000000, 0.0018011800000000 ] - [ -0.0021131700000000, 0.0019030600000000, 0.0018011800000000 ] - [ -0.0020995400000000, 0.0019094600000000, 0.0017475100000000 ] - [ 0.0020995400000000, 0.0019094600000000, 0.0017475100000000 ] - [ 0.0000000000000000, -0.1531675800000000, -0.0025987400000000 ] - [ 0.0000000000000000, -0.0018133200000000, -0.0010915300000000 ] - [ 0.0000000000000000, 0.0277262200000000, -0.0050428300000000 ] - [ 0.0000000000000000, 0.0009206800000000, -0.0007199100000000 ] - [ 0.0000000000000000, 0.0274131900000000, 0.0028259900000000 ] - [ 0.0000000000000000, 0.0009187200000000, -0.0014635700000000 ] - [ 0.0004652600000000, -0.0060422600000000, -0.0017092800000000 ] - [ 0.0004648400000000, -0.0021910000000000, -0.0017157300000000 ] - [ 0.0020083400000000, 0.0032467900000000, -0.0033680900000000 ] - [ 0.0002615700000000, 0.0011292600000000, -0.0023057600000000 ] - [ -0.0010905000000000, 0.0032551100000000, -0.0000595700000000 ] - [ 0.0006697700000000, 0.0011305200000000, -0.0011275000000000 ] - [ -0.0004648400000000, -0.0021910000000000, -0.0017157300000000 ] - [ -0.0004652600000000, -0.0060422600000000, -0.0017092800000000 ] - [ -0.0002615700000000, 0.0011292600000000, -0.0023057600000000 ] - [ -0.0020083400000000, 0.0032467900000000, -0.0033680900000000 ] - [ -0.0006697700000000, 0.0011305200000000, -0.0011275000000000 ] - [ 0.0010905000000000, 0.0032551100000000, -0.0000595700000000 ] - [ 0.0003977400000000, -0.0006895600000000, 0.0014058100000000 ] - [ -0.0003977400000000, -0.0006895600000000, 0.0014058100000000 ] - [ -0.0000003000000000, 0.0013494500000000, 0.0017793900000000 ] - [ 0.0000003000000000, 0.0013494500000000, 0.0017793900000000 ] - [ -0.0003978500000000, -0.0006897600000000, 0.0021511900000000 ] - [ 0.0003978500000000, -0.0006897600000000, 0.0021511900000000 ] - [ 0.0000000000000000, -0.0014734600000000, -0.0028991400000000 ] - [ 0.0000000000000000, -0.0003662700000000, -0.0013222800000000 ] - [ 0.0000000000000000, 0.0027686700000000, -0.0010884700000000 ] - [ 0.0000000000000000, 0.0007268600000000, -0.0010894400000000 ] - [ 0.0000000000000000, -0.0014753600000000, 0.0007249800000000 ] - [ 0.0000000000000000, -0.0003651100000000, -0.0008583900000000 ] - [ -0.0019644400000000, 0.0011348400000000, 0.0009635400000000 ] - [ 0.0019644400000000, 0.0011348400000000, 0.0009635400000000 ] - [ -0.0000041900000000, -0.0018273300000000, 0.0000753800000000 ] - [ 0.0000041900000000, -0.0018273300000000, 0.0000753800000000 ] - [ 0.0019634600000000, 0.0011156500000000, -0.0008063800000000 ] - [ -0.0019634600000000, 0.0011156500000000, -0.0008063800000000 ] - [ -0.0003773800000000, 0.0009353500000000, -0.0000932500000000 ] - [ -0.0003567100000000, 0.0170086900000000, -0.0001118100000000 ] - [ -0.0008145400000000, -0.0004634800000000, -0.0005509900000000 ] - [ 0.0038881800000000, -0.0047670000000000, -0.0016201800000000 ] - [ 0.0000472500000000, -0.0004646400000000, 0.0003557300000000 ] - [ -0.0046193400000000, -0.0047473300000000, 0.0014118800000000 ] - [ 0.0000000000000000, 0.0392834000000000, 0.0184889400000000 ] - [ 0.0000000000000000, 0.0003590100000000, 0.0006892300000000 ] - [ 0.0000000000000000, -0.0072499400000000, 0.0007285100000000 ] - [ 0.0000000000000000, -0.0007062100000000, 0.0007378400000000 ] - [ 0.0000000000000000, 0.0369079700000000, -0.0154766800000000 ] - [ 0.0000000000000000, 0.0003554400000000, 0.0007850300000000 ] - [ 0.0003567100000000, 0.0170086900000000, -0.0001118100000000 ] - [ 0.0003773800000000, 0.0009353500000000, -0.0000932500000000 ] - [ -0.0038881800000000, -0.0047670000000000, -0.0016201800000000 ] - [ 0.0008145400000000, -0.0004634800000000, -0.0005509900000000 ] - [ 0.0046193400000000, -0.0047473300000000, 0.0014118800000000 ] - [ -0.0000472500000000, -0.0004646400000000, 0.0003557300000000 ] - [ 0.0000006100000000, 0.0007864600000000, 0.0000744600000000 ] - [ -0.0000006100000000, 0.0007864600000000, 0.0000744600000000 ] - [ -0.0005310600000000, -0.0004016300000000, 0.0005867400000000 ] - [ 0.0005310600000000, -0.0004016300000000, 0.0005867400000000 ] - [ 0.0005373700000000, -0.0004013000000000, -0.0004409700000000 ] - [ -0.0005373700000000, -0.0004013000000000, -0.0004409700000000 ] - [ -0.0004302200000000, 0.0003606700000000, 0.0001075400000000 ] - [ 0.0005308800000000, 0.0008291500000000, 0.0011393800000000 ] - [ -0.0003831100000000, -0.0007425700000000, -0.0000972400000000 ] - [ -0.0003815200000000, -0.0017319300000000, -0.0000991800000000 ] - [ -0.0003374300000000, 0.0003603000000000, -0.0003023600000000 ] - [ -0.0012975500000000, 0.0008306300000000, -0.0013362700000000 ] - [ 0.0000000000000000, 0.0027035800000000, 0.0007424800000000 ] - [ 0.0000000000000000, 0.0005308600000000, 0.0007370600000000 ] - [ 0.0000000000000000, -0.0016352300000000, 0.0023900400000000 ] - [ 0.0000000000000000, -0.0002587400000000, 0.0010001800000000 ] - [ 0.0000000000000000, -0.0016458300000000, -0.0009325200000000 ] - [ 0.0000000000000000, -0.0002589600000000, 0.0004729700000000 ] - [ -0.0005308800000000, 0.0008291500000000, 0.0011393800000000 ] - [ 0.0004302200000000, 0.0003606700000000, 0.0001075400000000 ] - [ 0.0003815200000000, -0.0017319300000000, -0.0000991800000000 ] - [ 0.0003831100000000, -0.0007425700000000, -0.0000972400000000 ] - [ 0.0012975500000000, 0.0008306300000000, -0.0013362700000000 ] - [ 0.0003374300000000, 0.0003603000000000, -0.0003023600000000 ] - [ 0.0000000000000000, 0.0034760600000000, 0.0023885800000000 ] - [ 0.0000000000000000, 0.0003041200000000, 0.0023975600000000 ] - [ 0.0000000000000000, -0.0015935200000000, 0.0008102900000000 ] - [ 0.0000000000000000, -0.0001510000000000, 0.0025169400000000 ] - [ 0.0000000000000000, -0.0015942000000000, 0.0039763900000000 ] - [ 0.0000000000000000, -0.0001517400000000, 0.0022782900000000 ] - [ 0.0009332000000000, 0.0002132200000000, -0.0001345400000000 ] - [ 0.0009351800000000, 0.0013853800000000, -0.0001371400000000 ] - [ 0.0009337200000000, -0.0001060300000000, -0.0002207400000000 ] - [ 0.0008081600000000, -0.0006671900000000, -0.0006830800000000 ] - [ 0.0009328500000000, -0.0001063200000000, -0.0000485500000000 ] - [ 0.0010573800000000, -0.0006675400000000, 0.0004108900000000 ] - [ -0.0009351800000000, 0.0013853800000000, -0.0001371400000000 ] - [ -0.0009332000000000, 0.0002132200000000, -0.0001345400000000 ] - [ -0.0008081600000000, -0.0006671900000000, -0.0006830800000000 ] - [ -0.0009337200000000, -0.0001060300000000, -0.0002207400000000 ] - [ -0.0010573800000000, -0.0006675400000000, 0.0004108900000000 ] - [ -0.0009328500000000, -0.0001063200000000, -0.0000485500000000 ] - [ 0.0000000000000000, 0.0033644200000000, 0.0028994800000000 ] - [ 0.0000000000000000, 0.0002552500000000, 0.0028964000000000 ] - [ 0.0000000000000000, -0.0038903700000000, 0.0024096800000000 ] - [ 0.0000000000000000, -0.0004499100000000, 0.0023981300000000 ] - [ 0.0000000000000000, 0.0031431200000000, 0.0017132000000000 ] - [ 0.0000000000000000, 0.0002555000000000, 0.0018957200000000 ] - [ 0.0004900600000000, -0.0000266600000000, 0.0003136600000000 ] - [ -0.0000009800000000, 0.0005320400000000, 0.0002810700000000 ] - [ 0.0009326100000000, -0.0005742700000000, -0.0001335700000000 ] - [ 0.0009324500000000, -0.0008837600000000, -0.0001321200000000 ] - [ 0.0013815900000000, -0.0000300200000000, -0.0005780000000000 ] - [ 0.0018831600000000, 0.0005227600000000, -0.0005521500000000 ] - [ 0.0000009800000000, 0.0005320400000000, 0.0002810700000000 ] - [ -0.0004900600000000, -0.0000266600000000, 0.0003136600000000 ] - [ -0.0009324500000000, -0.0008837600000000, -0.0001321200000000 ] - [ -0.0009326100000000, -0.0005742700000000, -0.0001335700000000 ] - [ -0.0018831600000000, 0.0005227600000000, -0.0005521500000000 ] - [ -0.0013815900000000, -0.0000300200000000, -0.0005780000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0114761100000000, 0.0108524900000000, 0.0068364000000000 ] - [ -0.0001998400000000, 0.0005420600000000, -0.0024228300000000 ] - [ 0.0012273600000000, 0.0000000000000000, -0.0015969700000000 ] - [ 0.0002977100000000, 0.0000000000000000, -0.0021905100000000 ] - [ 0.0114761100000000, -0.0108524900000000, 0.0068364000000000 ] - [ -0.0001998400000000, -0.0005420600000000, -0.0024228300000000 ] - [ 0.0001998400000000, 0.0005420600000000, -0.0024228300000000 ] - [ -0.0114761100000000, 0.0108524900000000, 0.0068364000000000 ] - [ -0.0002977100000000, 0.0000000000000000, -0.0021905100000000 ] - [ -0.0012273600000000, 0.0000000000000000, -0.0015969700000000 ] - [ 0.0001998400000000, -0.0005420600000000, -0.0024228300000000 ] - [ -0.0114761100000000, -0.0108524900000000, 0.0068364000000000 ] - [ 0.0047168300000000, 0.0000000000000000, -0.0028445300000000 ] - [ -0.0047168300000000, 0.0000000000000000, -0.0028445300000000 ] - [ 0.0007916500000000, -0.0001178800000000, -0.0005925000000000 ] - [ -0.0007916500000000, -0.0001178800000000, -0.0005925000000000 ] - [ 0.0007916500000000, 0.0001178800000000, -0.0005925000000000 ] - [ -0.0007916500000000, 0.0001178800000000, -0.0005925000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1369284200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029434800000000 ] - [ 0.0000000000000000, 0.0038798700000000, -0.0080457000000000 ] - [ 0.0000000000000000, -0.0003727800000000, -0.0022662400000000 ] - [ 0.0000000000000000, -0.0038798700000000, -0.0080457000000000 ] - [ 0.0000000000000000, 0.0003727800000000, -0.0022662400000000 ] - [ -0.0028453600000000, 0.0000000000000000, 0.0039440300000000 ] - [ 0.0004606600000000, 0.0000000000000000, -0.0002780000000000 ] - [ -0.0014301400000000, -0.0019772900000000, 0.0009356200000000 ] - [ 0.0004948300000000, -0.0005657800000000, -0.0008303900000000 ] - [ -0.0014301400000000, 0.0019772900000000, 0.0009356200000000 ] - [ 0.0004948300000000, 0.0005657800000000, -0.0008303900000000 ] - [ -0.0004606600000000, 0.0000000000000000, -0.0002780000000000 ] - [ 0.0028453600000000, 0.0000000000000000, 0.0039440300000000 ] - [ -0.0004948300000000, -0.0005657800000000, -0.0008303900000000 ] - [ 0.0014301400000000, -0.0019772900000000, 0.0009356200000000 ] - [ -0.0004948300000000, 0.0005657800000000, -0.0008303900000000 ] - [ 0.0014301400000000, 0.0019772900000000, 0.0009356200000000 ] - [ -0.0001134900000000, 0.0004545600000000, 0.0036618900000000 ] - [ 0.0001134900000000, 0.0004545600000000, 0.0036618900000000 ] - [ -0.0000455800000000, 0.0000000000000000, 0.0031281000000000 ] - [ 0.0000455800000000, 0.0000000000000000, 0.0031281000000000 ] - [ -0.0001134900000000, -0.0004545600000000, 0.0036618900000000 ] - [ 0.0001134900000000, -0.0004545600000000, 0.0036618900000000 ] - [ 0.0000000000000000, 0.0018395800000000, 0.0032315000000000 ] - [ 0.0000000000000000, 0.0002360200000000, 0.0001374300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008546100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002988300000000 ] - [ 0.0000000000000000, -0.0018395800000000, 0.0032315000000000 ] - [ 0.0000000000000000, -0.0002360200000000, 0.0001374300000000 ] - [ -0.0022959000000000, -0.0009784100000000, 0.0012651500000000 ] - [ 0.0022959000000000, -0.0009784100000000, 0.0012651500000000 ] - [ -0.0006781600000000, 0.0000000000000000, 0.0006394700000000 ] - [ 0.0006781600000000, 0.0000000000000000, 0.0006394700000000 ] - [ -0.0022959000000000, 0.0009784100000000, 0.0012651500000000 ] - [ 0.0022959000000000, 0.0009784100000000, 0.0012651500000000 ] - [ -0.0012339700000000, 0.0000000000000000, 0.0004384000000000 ] - [ -0.0159691000000000, 0.0000000000000000, 0.0221631700000000 ] - [ -0.0005845500000000, -0.0001526000000000, 0.0005529900000000 ] - [ 0.0013331900000000, -0.0022033800000000, 0.0009895800000000 ] - [ -0.0005845500000000, 0.0001526000000000, 0.0005529900000000 ] - [ 0.0013331900000000, 0.0022033800000000, 0.0009895800000000 ] - [ 0.0000000000000000, 0.0248335400000000, 0.0289535700000000 ] - [ 0.0000000000000000, -0.0000722900000000, 0.0015846200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005146600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012064700000000 ] - [ 0.0000000000000000, -0.0248335400000000, 0.0289535700000000 ] - [ 0.0000000000000000, 0.0000722900000000, 0.0015846200000000 ] - [ 0.0159691000000000, 0.0000000000000000, 0.0221631700000000 ] - [ 0.0012339700000000, 0.0000000000000000, 0.0004384000000000 ] - [ -0.0013331900000000, -0.0022033800000000, 0.0009895800000000 ] - [ 0.0005845500000000, -0.0001526000000000, 0.0005529900000000 ] - [ -0.0013331900000000, 0.0022033800000000, 0.0009895800000000 ] - [ 0.0005845500000000, 0.0001526000000000, 0.0005529900000000 ] - [ 0.0005905800000000, 0.0000000000000000, -0.0012823200000000 ] - [ -0.0005905800000000, 0.0000000000000000, -0.0012823200000000 ] - [ 0.0006396600000000, 0.0000396000000000, -0.0009297800000000 ] - [ -0.0006396600000000, 0.0000396000000000, -0.0009297800000000 ] - [ 0.0006396600000000, -0.0000396000000000, -0.0009297800000000 ] - [ -0.0006396600000000, -0.0000396000000000, -0.0009297800000000 ] - [ -0.0004934200000000, 0.0000755900000000, -0.0009284900000000 ] - [ -0.0008012300000000, 0.0001627600000000, -0.0021675200000000 ] - [ -0.0004486100000000, 0.0000000000000000, -0.0006442200000000 ] - [ -0.0004002400000000, 0.0000000000000000, -0.0012490600000000 ] - [ -0.0004934200000000, -0.0000755900000000, -0.0009284900000000 ] - [ -0.0008012300000000, -0.0001627600000000, -0.0021675200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031296300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001075300000000 ] - [ 0.0000000000000000, 0.0001960600000000, -0.0016370200000000 ] - [ 0.0000000000000000, 0.0000299400000000, 0.0001876800000000 ] - [ 0.0000000000000000, -0.0001960600000000, -0.0016370200000000 ] - [ 0.0000000000000000, -0.0000299400000000, 0.0001876800000000 ] - [ 0.0008012300000000, 0.0001627600000000, -0.0021675200000000 ] - [ 0.0004934200000000, 0.0000755900000000, -0.0009284900000000 ] - [ 0.0004002400000000, 0.0000000000000000, -0.0012490600000000 ] - [ 0.0004486100000000, 0.0000000000000000, -0.0006442200000000 ] - [ 0.0008012300000000, -0.0001627600000000, -0.0021675200000000 ] - [ 0.0004934200000000, -0.0000755900000000, -0.0009284900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034699100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028956000000000 ] - [ 0.0000000000000000, -0.0009647600000000, 0.0013546200000000 ] - [ 0.0000000000000000, -0.0001134700000000, 0.0024687000000000 ] - [ 0.0000000000000000, 0.0009647600000000, 0.0013546200000000 ] - [ 0.0000000000000000, 0.0001134700000000, 0.0024687000000000 ] - [ 0.0008310900000000, 0.0000000000000000, -0.0006163100000000 ] - [ 0.0001170200000000, 0.0000000000000000, -0.0014641000000000 ] - [ 0.0009950900000000, -0.0000556700000000, -0.0004047500000000 ] - [ 0.0009340800000000, -0.0004256500000000, -0.0008725000000000 ] - [ 0.0009950900000000, 0.0000556700000000, -0.0004047500000000 ] - [ 0.0009340800000000, 0.0004256500000000, -0.0008725000000000 ] - [ -0.0001170200000000, 0.0000000000000000, -0.0014641000000000 ] - [ -0.0008310900000000, 0.0000000000000000, -0.0006163100000000 ] - [ -0.0009340800000000, -0.0004256500000000, -0.0008725000000000 ] - [ -0.0009950900000000, -0.0000556700000000, -0.0004047500000000 ] - [ -0.0009340800000000, 0.0004256500000000, -0.0008725000000000 ] - [ -0.0009950900000000, 0.0000556700000000, -0.0004047500000000 ] - [ 0.0000000000000000, -0.0019232800000000, 0.0092576800000000 ] - [ 0.0000000000000000, 0.0001589100000000, 0.0018832000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023320600000000 ] - [ 0.0000000000000000, 0.0019232800000000, 0.0092576800000000 ] - [ 0.0000000000000000, -0.0001589100000000, 0.0018832000000000 ] - [ 0.0011684100000000, 0.0000739800000000, 0.0005680000000000 ] - [ 0.0018541500000000, -0.0000126200000000, 0.0003419300000000 ] - [ 0.0008046500000000, 0.0000000000000000, 0.0001815200000000 ] - [ 0.0010649600000000, 0.0000000000000000, 0.0002916000000000 ] - [ 0.0011684100000000, -0.0000739800000000, 0.0005680000000000 ] - [ 0.0018541500000000, 0.0000126200000000, 0.0003419300000000 ] - [ -0.0018541500000000, -0.0000126200000000, 0.0003419300000000 ] - [ -0.0011684100000000, 0.0000739800000000, 0.0005680000000000 ] - [ -0.0010649600000000, 0.0000000000000000, 0.0002916000000000 ] - [ -0.0008046500000000, 0.0000000000000000, 0.0001815200000000 ] - [ -0.0018541500000000, 0.0000126200000000, 0.0003419300000000 ] - [ -0.0011684100000000, -0.0000739800000000, 0.0005680000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0104966300000000, -0.0107890800000000, -0.0102975400000000 ] - [ 0.0011316500000000, -0.0005352000000000, -0.0010146900000000 ] - [ -0.0003097000000000, 0.0000000000000000, -0.0018398000000000 ] - [ 0.0006333200000000, 0.0000000000000000, -0.0012387900000000 ] - [ -0.0104966300000000, 0.0107890800000000, -0.0102975400000000 ] - [ 0.0011316500000000, 0.0005352000000000, -0.0010146900000000 ] - [ -0.0011316500000000, -0.0005352000000000, -0.0010146900000000 ] - [ 0.0104966300000000, -0.0107890800000000, -0.0102975400000000 ] - [ -0.0006333200000000, 0.0000000000000000, -0.0012387900000000 ] - [ 0.0003097000000000, 0.0000000000000000, -0.0018398000000000 ] - [ -0.0011316500000000, 0.0005352000000000, -0.0010146900000000 ] - [ 0.0104966300000000, 0.0107890800000000, -0.0102975400000000 ] - [ -0.0048064300000000, 0.0000000000000000, 0.0064399800000000 ] - [ 0.0048064300000000, 0.0000000000000000, 0.0064399800000000 ] - [ -0.0007981000000000, 0.0001149000000000, 0.0041547200000000 ] - [ 0.0007981000000000, 0.0001149000000000, 0.0041547200000000 ] - [ -0.0007981000000000, -0.0001149000000000, 0.0041547200000000 ] - [ 0.0007981000000000, -0.0001149000000000, 0.0041547200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1336356400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007771100000000 ] - [ 0.0000000000000000, -0.0039866000000000, 0.0059474500000000 ] - [ 0.0000000000000000, 0.0003685600000000, 0.0000979600000000 ] - [ 0.0000000000000000, 0.0039866000000000, 0.0059474500000000 ] - [ 0.0000000000000000, -0.0003685600000000, 0.0000979600000000 ] - [ 0.0038271000000000, 0.0000000000000000, -0.0074303700000000 ] - [ 0.0004712100000000, 0.0000000000000000, -0.0031576400000000 ] - [ 0.0023534200000000, 0.0019972900000000, -0.0043832200000000 ] - [ 0.0004326500000000, 0.0005692600000000, -0.0026043100000000 ] - [ 0.0023534200000000, -0.0019972900000000, -0.0043832200000000 ] - [ 0.0004326500000000, -0.0005692600000000, -0.0026043100000000 ] - [ -0.0004712100000000, 0.0000000000000000, -0.0031576400000000 ] - [ -0.0038271000000000, 0.0000000000000000, -0.0074303700000000 ] - [ -0.0004326500000000, 0.0005692600000000, -0.0026043100000000 ] - [ -0.0023534200000000, 0.0019972900000000, -0.0043832200000000 ] - [ -0.0004326500000000, -0.0005692600000000, -0.0026043100000000 ] - [ -0.0023534200000000, -0.0019972900000000, -0.0043832200000000 ] - [ 0.0001278200000000, -0.0004505100000000, -0.0001259300000000 ] - [ -0.0001278200000000, -0.0004505100000000, -0.0001259300000000 ] - [ 0.0000501300000000, 0.0000000000000000, 0.0004050400000000 ] - [ -0.0000501300000000, 0.0000000000000000, 0.0004050400000000 ] - [ 0.0001278200000000, 0.0004505100000000, -0.0001259300000000 ] - [ -0.0001278200000000, 0.0004505100000000, -0.0001259300000000 ] - [ 0.0000000000000000, -0.0017865000000000, -0.0054093000000000 ] - [ 0.0000000000000000, -0.0002285500000000, -0.0023243200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030366900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018887800000000 ] - [ 0.0000000000000000, 0.0017865000000000, -0.0054093000000000 ] - [ 0.0000000000000000, 0.0002285500000000, -0.0023243200000000 ] - [ 0.0023209800000000, 0.0009948400000000, -0.0011355300000000 ] - [ -0.0023209800000000, 0.0009948400000000, -0.0011355300000000 ] - [ 0.0006859500000000, 0.0000000000000000, -0.0005059600000000 ] - [ -0.0006859500000000, 0.0000000000000000, -0.0005059600000000 ] - [ 0.0023209800000000, -0.0009948400000000, -0.0011355300000000 ] - [ -0.0023209800000000, -0.0009948400000000, -0.0011355300000000 ] - [ 0.0004799200000000, 0.0000000000000000, -0.0006223500000000 ] - [ 0.0143210100000000, 0.0000000000000000, -0.0219702000000000 ] - [ -0.0001761200000000, 0.0001526400000000, -0.0007406000000000 ] - [ -0.0021204500000000, 0.0022220300000000, -0.0011809600000000 ] - [ -0.0001761200000000, -0.0001526400000000, -0.0007406000000000 ] - [ -0.0021204500000000, -0.0022220300000000, -0.0011809600000000 ] - [ 0.0000000000000000, -0.0236949300000000, -0.0269851600000000 ] - [ 0.0000000000000000, 0.0000717300000000, -0.0001058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009777300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002726200000000 ] - [ 0.0000000000000000, 0.0236949300000000, -0.0269851600000000 ] - [ 0.0000000000000000, -0.0000717300000000, -0.0001058900000000 ] - [ -0.0143210100000000, 0.0000000000000000, -0.0219702000000000 ] - [ -0.0004799200000000, 0.0000000000000000, -0.0006223500000000 ] - [ 0.0021204500000000, 0.0022220300000000, -0.0011809600000000 ] - [ 0.0001761200000000, 0.0001526400000000, -0.0007406000000000 ] - [ 0.0021204500000000, -0.0022220300000000, -0.0011809600000000 ] - [ 0.0001761200000000, -0.0001526400000000, -0.0007406000000000 ] - [ -0.0005985500000000, 0.0000000000000000, 0.0014234300000000 ] - [ 0.0005985500000000, 0.0000000000000000, 0.0014234300000000 ] - [ -0.0006437900000000, -0.0000431300000000, 0.0010710300000000 ] - [ 0.0006437900000000, -0.0000431300000000, 0.0010710300000000 ] - [ -0.0006437900000000, 0.0000431300000000, 0.0010710300000000 ] - [ 0.0006437900000000, 0.0000431300000000, 0.0010710300000000 ] - [ -0.0002719000000000, -0.0000783400000000, 0.0007471900000000 ] - [ 0.0000455100000000, -0.0001714200000000, 0.0019906200000000 ] - [ -0.0003158300000000, 0.0000000000000000, 0.0004635400000000 ] - [ -0.0003650000000000, 0.0000000000000000, 0.0010692300000000 ] - [ -0.0002719000000000, 0.0000783400000000, 0.0007471900000000 ] - [ 0.0000455100000000, 0.0001714200000000, 0.0019906200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046178200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015964600000000 ] - [ 0.0000000000000000, -0.0002077900000000, 0.0031160700000000 ] - [ 0.0000000000000000, -0.0000322700000000, 0.0013006200000000 ] - [ 0.0000000000000000, 0.0002077900000000, 0.0031160700000000 ] - [ 0.0000000000000000, 0.0000322700000000, 0.0013006200000000 ] - [ -0.0000455100000000, -0.0001714200000000, 0.0019906200000000 ] - [ 0.0002719000000000, -0.0000783400000000, 0.0007471900000000 ] - [ 0.0003650000000000, 0.0000000000000000, 0.0010692300000000 ] - [ 0.0003158300000000, 0.0000000000000000, 0.0004635400000000 ] - [ -0.0000455100000000, 0.0001714200000000, 0.0019906200000000 ] - [ 0.0002719000000000, 0.0000783400000000, 0.0007471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0081455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018925400000000 ] - [ 0.0000000000000000, 0.0009668000000000, 0.0034460700000000 ] - [ 0.0000000000000000, 0.0001134600000000, 0.0023124400000000 ] - [ 0.0000000000000000, -0.0009668000000000, 0.0034460700000000 ] - [ 0.0000000000000000, -0.0001134600000000, 0.0023124400000000 ] - [ 0.0010306000000000, 0.0000000000000000, 0.0003505100000000 ] - [ 0.0017365200000000, 0.0000000000000000, 0.0012021500000000 ] - [ 0.0008693900000000, 0.0000547200000000, 0.0001395300000000 ] - [ 0.0009307000000000, 0.0004274400000000, 0.0006129300000000 ] - [ 0.0008693900000000, -0.0000547200000000, 0.0001395300000000 ] - [ 0.0009307000000000, -0.0004274400000000, 0.0006129300000000 ] - [ -0.0017365200000000, 0.0000000000000000, 0.0012021500000000 ] - [ -0.0010306000000000, 0.0000000000000000, 0.0003505100000000 ] - [ -0.0009307000000000, 0.0004274400000000, 0.0006129300000000 ] - [ -0.0008693900000000, 0.0000547200000000, 0.0001395300000000 ] - [ -0.0009307000000000, -0.0004274400000000, 0.0006129300000000 ] - [ -0.0008693900000000, -0.0000547200000000, 0.0001395300000000 ] - [ 0.0000000000000000, 0.0021121800000000, -0.0047178200000000 ] - [ 0.0000000000000000, -0.0001639100000000, 0.0029030200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011652600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024501700000000 ] - [ 0.0000000000000000, -0.0021121800000000, -0.0047178200000000 ] - [ 0.0000000000000000, 0.0001639100000000, 0.0029030200000000 ] - [ 0.0006957900000000, -0.0000708600000000, -0.0008485600000000 ] - [ 0.0000111400000000, 0.0000133800000000, -0.0006130900000000 ] - [ 0.0010617500000000, 0.0000000000000000, -0.0004524100000000 ] - [ 0.0007988900000000, 0.0000000000000000, -0.0005633800000000 ] - [ 0.0006957900000000, 0.0000708600000000, -0.0008485600000000 ] - [ 0.0000111400000000, -0.0000133800000000, -0.0006130900000000 ] - [ -0.0000111400000000, 0.0000133800000000, -0.0006130900000000 ] - [ -0.0006957900000000, -0.0000708600000000, -0.0008485600000000 ] - [ -0.0007988900000000, 0.0000000000000000, -0.0005633800000000 ] - [ -0.0010617500000000, 0.0000000000000000, -0.0004524100000000 ] - [ -0.0000111400000000, -0.0000133800000000, -0.0006130900000000 ] - [ -0.0006957900000000, 0.0000708600000000, -0.0008485600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0180888300000000, 0.0000000000000000, -0.0090276400000000 ] - [ -0.0024220400000000, 0.0000000000000000, -0.0029454600000000 ] - [ 0.0015877300000000, 0.0034438700000000, 0.0000429900000000 ] - [ -0.0008052400000000, -0.0004795300000000, -0.0018297000000000 ] - [ 0.0015877300000000, -0.0034438700000000, 0.0000429900000000 ] - [ -0.0008052400000000, 0.0004795300000000, -0.0018297000000000 ] - [ 0.0190985700000000, 0.0000000000000000, 0.0065003900000000 ] - [ -0.0033331000000000, 0.0000000000000000, -0.0004857600000000 ] - [ 0.0006873400000000, -0.0034589100000000, -0.0034704300000000 ] - [ -0.0017343900000000, 0.0004726500000000, -0.0015947600000000 ] - [ 0.0006873400000000, 0.0034589100000000, -0.0034704300000000 ] - [ -0.0017343900000000, -0.0004726500000000, -0.0015947600000000 ] - [ 0.0187136100000000, -0.0000374800000000, 0.0017924100000000 ] - [ -0.0014555400000000, 0.0000005700000000, 0.0017815600000000 ] - [ 0.0187136100000000, 0.0000374800000000, 0.0017924100000000 ] - [ -0.0014555400000000, -0.0000005700000000, 0.0017815600000000 ] - [ 0.0012059100000000, 0.0000000000000000, 0.0017796000000000 ] - [ -0.0008155900000000, 0.0000000000000000, 0.0017805900000000 ] - [ -0.0032259100000000, -0.0019543400000000, -0.0033889100000000 ] - [ -0.0032253600000000, 0.0019700100000000, 0.0012275100000000 ] - [ -0.0032259100000000, 0.0019543400000000, -0.0033889100000000 ] - [ -0.0032253600000000, -0.0019700100000000, 0.0012275100000000 ] - [ -0.0001740500000000, 0.0000000000000000, -0.0017691200000000 ] - [ -0.0001639200000000, 0.0000000000000000, -0.0004049800000000 ] - [ 0.0007792600000000, -0.0006803600000000, -0.0017895600000000 ] - [ -0.0001227800000000, 0.0000701000000000, -0.0018035700000000 ] - [ 0.0007792600000000, 0.0006803600000000, -0.0017895600000000 ] - [ -0.0001227800000000, -0.0000701000000000, -0.0018035700000000 ] - [ 0.0009416500000000, 0.0000000000000000, -0.0014414200000000 ] - [ -0.0000359800000000, 0.0000000000000000, -0.0018034500000000 ] - [ -0.0001391900000000, 0.0006767500000000, -0.0016584400000000 ] - [ -0.0010596600000000, -0.0000711600000000, -0.0016341200000000 ] - [ -0.0001391900000000, -0.0006767500000000, -0.0016584400000000 ] - [ -0.0010596600000000, 0.0000711600000000, -0.0016341200000000 ] - [ 0.0000237100000000, 0.0000000000000000, -0.0020074600000000 ] - [ -0.0009716100000000, 0.0000000000000000, -0.0016333000000000 ] - [ 0.0016852300000000, 0.0000000000000000, 0.0017710100000000 ] - [ -0.0005568700000000, 0.0000000000000000, 0.0017714500000000 ] - [ 0.0013160400000000, -0.0000007800000000, 0.0017702400000000 ] - [ -0.0006003200000000, -0.0000022000000000, 0.0017726800000000 ] - [ 0.0013160400000000, 0.0000007800000000, 0.0017702400000000 ] - [ -0.0006003200000000, 0.0000022000000000, 0.0017726800000000 ] - [ -0.0002678400000000, 0.0000000000000000, -0.0005062000000000 ] - [ -0.0002615800000000, 0.0000000000000000, -0.0016956200000000 ] - [ -0.0000913700000000, 0.0005300100000000, -0.0004595800000000 ] - [ -0.0000830800000000, -0.0005347600000000, -0.0017385000000000 ] - [ -0.0000913700000000, -0.0005300100000000, -0.0004595800000000 ] - [ -0.0000830800000000, 0.0005347600000000, -0.0017385000000000 ] - [ -0.1058726200000000, 0.0000000000000000, -0.0007575900000000 ] - [ 0.0014582300000000, 0.0000000000000000, 0.0000700900000000 ] - [ -0.0023994800000000, -0.0000215800000000, 0.0000539200000000 ] - [ 0.0009385000000000, 0.0000000800000000, 0.0000723300000000 ] - [ -0.0023994800000000, 0.0000215800000000, 0.0000539200000000 ] - [ 0.0009385000000000, -0.0000000800000000, 0.0000723300000000 ] - [ 0.0056467500000000, -0.0125917600000000, -0.0040150800000000 ] - [ 0.0012015500000000, 0.0005086100000000, -0.0003550200000000 ] - [ 0.0056467500000000, 0.0125917600000000, -0.0040150800000000 ] - [ 0.0012015500000000, -0.0005086100000000, -0.0003550200000000 ] - [ -0.0010654500000000, 0.0000000000000000, -0.0006883000000000 ] - [ 0.0002779000000000, 0.0000000000000000, 0.0000380500000000 ] - [ 0.0067384500000000, 0.0000000000000000, 0.0052983300000000 ] - [ 0.0067961700000000, 0.0000000000000000, -0.0038871600000000 ] - [ 0.0010407700000000, -0.0013588800000000, 0.0004638000000000 ] - [ 0.0010387200000000, 0.0013666900000000, 0.0010078400000000 ] - [ 0.0010407700000000, 0.0013588800000000, 0.0004638000000000 ] - [ 0.0010387200000000, -0.0013666900000000, 0.0010078400000000 ] - [ 0.0064002500000000, 0.0124253800000000, 0.0037650500000000 ] - [ 0.0019710400000000, -0.0005136800000000, 0.0001575900000000 ] - [ 0.0064002500000000, -0.0124253800000000, 0.0037650500000000 ] - [ 0.0019710400000000, 0.0005136800000000, 0.0001575900000000 ] - [ -0.0002859800000000, 0.0000000000000000, 0.0004858300000000 ] - [ 0.0010429500000000, 0.0000000000000000, -0.0002372400000000 ] - [ -0.0009047400000000, 0.0000002500000000, 0.0000786100000000 ] - [ 0.0004351000000000, 0.0000008500000000, 0.0000768400000000 ] - [ -0.0009047400000000, -0.0000002500000000, 0.0000786100000000 ] - [ 0.0004351000000000, -0.0000008500000000, 0.0000768400000000 ] - [ -0.0004065300000000, 0.0000000000000000, 0.0000800700000000 ] - [ 0.0003972300000000, 0.0000000000000000, 0.0000764800000000 ] - [ -0.0007202100000000, 0.0000000000000000, -0.0003830600000000 ] - [ 0.0001314800000000, 0.0000000000000000, -0.0000772300000000 ] - [ -0.0008862100000000, 0.0002786200000000, 0.0000157200000000 ] - [ 0.0000732300000000, -0.0000234200000000, -0.0001263400000000 ] - [ -0.0008862100000000, -0.0002786200000000, 0.0000157200000000 ] - [ 0.0000732300000000, 0.0000234200000000, -0.0001263400000000 ] - [ 0.0001476100000000, 0.0001285500000000, 0.0004316900000000 ] - [ 0.0001415800000000, -0.0001286800000000, 0.0010509400000000 ] - [ 0.0001476100000000, -0.0001285500000000, 0.0004316900000000 ] - [ 0.0001415800000000, 0.0001286800000000, 0.0010509400000000 ] - [ 0.0000358500000000, 0.0000000000000000, 0.0004470400000000 ] - [ 0.0000281200000000, 0.0000000000000000, 0.0010346900000000 ] - [ 0.0000510500000000, 0.0000000000000000, 0.0002000000000000 ] - [ 0.0008933500000000, 0.0000000000000000, -0.0001100500000000 ] - [ -0.0001162600000000, -0.0002795500000000, -0.0001993500000000 ] - [ 0.0008369700000000, 0.0000235900000000, -0.0000629800000000 ] - [ -0.0001162600000000, 0.0002795500000000, -0.0001993500000000 ] - [ 0.0008369700000000, -0.0000235900000000, -0.0000629800000000 ] - [ 0.0019370700000000, 0.0023134400000000, 0.0000340800000000 ] - [ 0.0019556900000000, -0.0023414200000000, 0.0047769500000000 ] - [ 0.0019370700000000, -0.0023134400000000, 0.0000340800000000 ] - [ 0.0019556900000000, 0.0023414200000000, 0.0047769500000000 ] - [ 0.0001072500000000, 0.0000000000000000, 0.0020145700000000 ] - [ 0.0001041400000000, 0.0000000000000000, 0.0027807900000000 ] - [ 0.0010464400000000, -0.0011069700000000, 0.0015432100000000 ] - [ 0.0005505500000000, 0.0003567200000000, -0.0000950100000000 ] - [ 0.0010464400000000, 0.0011069700000000, 0.0015432100000000 ] - [ 0.0005505500000000, -0.0003567200000000, -0.0000950100000000 ] - [ 0.0009128700000000, 0.0000000000000000, 0.0002829100000000 ] - [ 0.0008309100000000, 0.0000000000000000, -0.0002087300000000 ] - [ -0.0008293100000000, 0.0011030600000000, -0.0018086300000000 ] - [ -0.0013248500000000, -0.0003588000000000, -0.0001703000000000 ] - [ -0.0008293100000000, -0.0011030600000000, -0.0018086300000000 ] - [ -0.0013248500000000, 0.0003588000000000, -0.0001703000000000 ] - [ -0.0009561000000000, 0.0000000000000000, -0.0005488900000000 ] - [ -0.0010344500000000, 0.0000000000000000, -0.0000585800000000 ] - [ -0.0002201300000000, 0.0000000000000000, 0.0027829500000000 ] - [ -0.0002277600000000, 0.0000000000000000, 0.0020101300000000 ] - [ -0.0000095700000000, -0.0002230000000000, 0.0026174000000000 ] - [ -0.0000170100000000, 0.0002244100000000, 0.0021772500000000 ] - [ -0.0000095700000000, 0.0002230000000000, 0.0026174000000000 ] - [ -0.0000170100000000, -0.0002244100000000, 0.0021772500000000 ] - [ 0.0018937200000000, 0.0000000000000000, -0.0033895200000000 ] - [ 0.0008907700000000, 0.0000000000000000, -0.0001761100000000 ] - [ 0.0005241000000000, -0.0002840500000000, 0.0003496800000000 ] - [ 0.0009106400000000, -0.0000144200000000, -0.0001584600000000 ] - [ 0.0005241000000000, 0.0002840500000000, 0.0003496800000000 ] - [ 0.0009106400000000, 0.0000144200000000, -0.0001584600000000 ] - [ 0.0000224000000000, 0.0000000000000000, 0.0031445000000000 ] - [ -0.0009718000000000, 0.0000000000000000, -0.0000937700000000 ] - [ -0.0013443300000000, 0.0002641300000000, -0.0005969000000000 ] - [ -0.0009525100000000, 0.0000144200000000, -0.0001110500000000 ] - [ -0.0013443300000000, -0.0002641300000000, -0.0005969000000000 ] - [ -0.0009525100000000, -0.0000144200000000, -0.0001110500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004352200000000, 0.0167609300000000, -0.0017424300000000 ] - [ 0.0004723500000000, 0.0008791600000000, -0.0017160200000000 ] - [ 0.0026121400000000, -0.0040469600000000, -0.0038550700000000 ] - [ 0.0000276400000000, -0.0004447300000000, -0.0019848100000000 ] - [ -0.0016563000000000, -0.0040468900000000, 0.0003982200000000 ] - [ 0.0009034100000000, -0.0004523600000000, -0.0014554000000000 ] - [ -0.0004352200000000, 0.0167609300000000, -0.0017424300000000 ] - [ -0.0004723500000000, 0.0008791600000000, -0.0017160200000000 ] - [ -0.0026121400000000, -0.0040469600000000, -0.0038550700000000 ] - [ -0.0000276400000000, -0.0004447300000000, -0.0019848100000000 ] - [ 0.0016563000000000, -0.0040468900000000, 0.0003982200000000 ] - [ -0.0009034100000000, -0.0004523600000000, -0.0014554000000000 ] - [ 0.0000000000000000, 0.0188223000000000, 0.0091851200000000 ] - [ 0.0000000000000000, 0.0002605700000000, 0.0016973000000000 ] - [ 0.0000000000000000, 0.0203288400000000, -0.0067768100000000 ] - [ 0.0000000000000000, 0.0002643900000000, 0.0018514200000000 ] - [ 0.0000000000000000, -0.0057216000000000, 0.0017764000000000 ] - [ 0.0000000000000000, -0.0005197800000000, 0.0017752300000000 ] - [ -0.0034011100000000, 0.0011123200000000, -0.0020843800000000 ] - [ 0.0034011100000000, 0.0011123200000000, -0.0020843800000000 ] - [ 0.0034161800000000, 0.0011385400000000, -0.0001098200000000 ] - [ -0.0034161800000000, 0.0011385400000000, -0.0001098200000000 ] - [ 0.0000053100000000, -0.0018270700000000, -0.0010944300000000 ] - [ -0.0000053100000000, -0.0018270700000000, -0.0010944300000000 ] - [ 0.0001641500000000, 0.0009243100000000, -0.0018367900000000 ] - [ 0.0005476300000000, 0.0003328500000000, -0.0018101000000000 ] - [ 0.0007697400000000, 0.0009402700000000, -0.0015858300000000 ] - [ 0.0003837600000000, 0.0003408100000000, -0.0016162600000000 ] - [ 0.0004718700000000, -0.0022397300000000, -0.0017058000000000 ] - [ 0.0004635700000000, -0.0006614400000000, -0.0017140800000000 ] - [ -0.0001641500000000, 0.0009243100000000, -0.0018367900000000 ] - [ -0.0005476300000000, 0.0003328500000000, -0.0018101000000000 ] - [ -0.0007697400000000, 0.0009402700000000, -0.0015858300000000 ] - [ -0.0003837600000000, 0.0003408100000000, -0.0016162600000000 ] - [ -0.0004718700000000, -0.0022397300000000, -0.0017058000000000 ] - [ -0.0004635700000000, -0.0006614400000000, -0.0017140800000000 ] - [ 0.0000000000000000, 0.0020875400000000, 0.0017820400000000 ] - [ 0.0000000000000000, 0.0003969100000000, 0.0017791700000000 ] - [ 0.0000000000000000, -0.0010574600000000, 0.0016818000000000 ] - [ 0.0000000000000000, -0.0001810500000000, 0.0017803200000000 ] - [ 0.0000000000000000, -0.0010720100000000, 0.0018873300000000 ] - [ 0.0000000000000000, -0.0001852300000000, 0.0017795200000000 ] - [ 0.0000010400000000, 0.0007834400000000, -0.0010889500000000 ] - [ -0.0000010400000000, 0.0007834400000000, -0.0010889500000000 ] - [ 0.0002362900000000, -0.0003945100000000, -0.0011292500000000 ] - [ -0.0002362900000000, -0.0003945100000000, -0.0011292500000000 ] - [ -0.0002362400000000, -0.0004055500000000, -0.0010454200000000 ] - [ 0.0002362400000000, -0.0004055500000000, -0.0010454200000000 ] - [ 0.0000000000000000, -0.0980485500000000, 0.0012472800000000 ] - [ 0.0000000000000000, -0.0003772500000000, 0.0000763100000000 ] - [ 0.0000000000000000, 0.0066810800000000, 0.0027215900000000 ] - [ 0.0000000000000000, 0.0001871900000000, -0.0000120000000000 ] - [ 0.0000000000000000, 0.0066320500000000, -0.0025363200000000 ] - [ 0.0000000000000000, 0.0001904000000000, 0.0001628500000000 ] - [ -0.0133685100000000, 0.0051179100000000, -0.0000224300000000 ] - [ 0.0001943300000000, -0.0002535300000000, -0.0005528600000000 ] - [ 0.0127496900000000, 0.0051128000000000, -0.0001612100000000 ] - [ -0.0009600600000000, -0.0002600800000000, 0.0003653000000000 ] - [ -0.0003765500000000, 0.0022614200000000, -0.0000933900000000 ] - [ -0.0003852300000000, 0.0005491400000000, -0.0000947300000000 ] - [ 0.0000188900000000, -0.0021332200000000, 0.0007610300000000 ] - [ -0.0000188900000000, -0.0021332200000000, 0.0007610300000000 ] - [ -0.0012423900000000, 0.0012713100000000, 0.0006357700000000 ] - [ 0.0012423900000000, 0.0012713100000000, 0.0006357700000000 ] - [ 0.0012345800000000, 0.0012736600000000, 0.0008428400000000 ] - [ -0.0012345800000000, 0.0012736600000000, 0.0008428400000000 ] - [ 0.0133685100000000, 0.0051179100000000, -0.0000224300000000 ] - [ -0.0001943300000000, -0.0002535300000000, -0.0005528600000000 ] - [ -0.0127496900000000, 0.0051128000000000, -0.0001612100000000 ] - [ 0.0009600600000000, -0.0002600800000000, 0.0003653000000000 ] - [ 0.0003765500000000, 0.0022614200000000, -0.0000933900000000 ] - [ 0.0003852300000000, 0.0005491400000000, -0.0000947300000000 ] - [ 0.0000000000000000, -0.0004253700000000, -0.0001795700000000 ] - [ 0.0000000000000000, -0.0000811300000000, 0.0001019600000000 ] - [ 0.0000000000000000, -0.0004311200000000, 0.0003229000000000 ] - [ 0.0000000000000000, -0.0000851300000000, 0.0000432400000000 ] - [ 0.0000000000000000, 0.0011782900000000, 0.0000671400000000 ] - [ 0.0000000000000000, 0.0001623000000000, 0.0000728100000000 ] - [ -0.0003839700000000, -0.0006530900000000, -0.0000978300000000 ] - [ -0.0003821000000000, -0.0002286000000000, -0.0000980500000000 ] - [ -0.0001129800000000, 0.0004182000000000, -0.0000910600000000 ] - [ -0.0004818900000000, 0.0001110500000000, -0.0001158300000000 ] - [ -0.0006511200000000, 0.0004279100000000, -0.0001125900000000 ] - [ -0.0002855600000000, 0.0001139100000000, -0.0000822800000000 ] - [ 0.0000886800000000, -0.0001853700000000, 0.0007169600000000 ] - [ -0.0000886800000000, -0.0001853700000000, 0.0007169600000000 ] - [ -0.0000901800000000, -0.0001890500000000, 0.0007535900000000 ] - [ 0.0000901800000000, -0.0001890500000000, 0.0007535900000000 ] - [ -0.0000021500000000, 0.0003673500000000, 0.0007336500000000 ] - [ 0.0000021500000000, 0.0003673500000000, 0.0007336500000000 ] - [ 0.0003839700000000, -0.0006530900000000, -0.0000978300000000 ] - [ 0.0003821000000000, -0.0002286000000000, -0.0000980500000000 ] - [ 0.0001129800000000, 0.0004182000000000, -0.0000910600000000 ] - [ 0.0004818900000000, 0.0001110500000000, -0.0001158300000000 ] - [ 0.0006511200000000, 0.0004279100000000, -0.0001125900000000 ] - [ 0.0002855600000000, 0.0001139100000000, -0.0000822800000000 ] - [ 0.0002276300000000, -0.0003242400000000, 0.0022403700000000 ] - [ -0.0002276300000000, -0.0003242400000000, 0.0022403700000000 ] - [ -0.0002162800000000, -0.0003420400000000, 0.0025465700000000 ] - [ 0.0002162800000000, -0.0003420400000000, 0.0025465700000000 ] - [ -0.0000011600000000, 0.0005211400000000, 0.0023985000000000 ] - [ 0.0000011600000000, 0.0005211400000000, 0.0023985000000000 ] - [ 0.0015696300000000, 0.0000094000000000, -0.0011854800000000 ] - [ 0.0008539200000000, -0.0001361300000000, -0.0001647000000000 ] - [ 0.0002997900000000, -0.0000018700000000, 0.0009100900000000 ] - [ 0.0010097400000000, -0.0001389600000000, -0.0001055500000000 ] - [ 0.0009327800000000, 0.0006735500000000, -0.0001332500000000 ] - [ 0.0009333500000000, 0.0001253400000000, -0.0001345300000000 ] - [ -0.0015696300000000, 0.0000094000000000, -0.0011854800000000 ] - [ -0.0008539200000000, -0.0001361300000000, -0.0001647000000000 ] - [ -0.0002997900000000, -0.0000018700000000, 0.0009100900000000 ] - [ -0.0010097400000000, -0.0001389600000000, -0.0001055500000000 ] - [ -0.0009327800000000, 0.0006735500000000, -0.0001332500000000 ] - [ -0.0009333500000000, 0.0001253400000000, -0.0001345300000000 ] - [ 0.0000000500000000, -0.0004958300000000, 0.0023975500000000 ] - [ -0.0000000500000000, -0.0004958300000000, 0.0023975500000000 ] - [ -0.0004241400000000, 0.0001684600000000, 0.0021725300000000 ] - [ 0.0004241400000000, 0.0001684600000000, 0.0021725300000000 ] - [ 0.0004187900000000, 0.0001710600000000, 0.0026199800000000 ] - [ -0.0004187900000000, 0.0001710600000000, 0.0026199800000000 ] - [ 0.0009321400000000, -0.0024643300000000, -0.0001187300000000 ] - [ 0.0009328800000000, -0.0001222400000000, -0.0001341200000000 ] - [ 0.0011921500000000, 0.0029518600000000, -0.0030009400000000 ] - [ 0.0011435700000000, 0.0000779000000000, -0.0001909100000000 ] - [ 0.0006771200000000, 0.0029296600000000, 0.0027064200000000 ] - [ 0.0007258000000000, 0.0000790500000000, -0.0000775400000000 ] - [ -0.0009321400000000, -0.0024643300000000, -0.0001187300000000 ] - [ -0.0009328800000000, -0.0001222400000000, -0.0001341200000000 ] - [ -0.0011921500000000, 0.0029518600000000, -0.0030009400000000 ] - [ -0.0011435700000000, 0.0000779000000000, -0.0001909100000000 ] - [ -0.0006771200000000, 0.0029296600000000, 0.0027064200000000 ] - [ -0.0007258000000000, 0.0000790500000000, -0.0000775400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0020922300000000, 0.0000000000000000, 0.0150815000000000 ] - [ -0.0005825200000000, 0.0000000000000000, -0.0015233500000000 ] - [ -0.0004435400000000, -0.0008362600000000, -0.0000210200000000 ] - [ 0.0003477400000000, -0.0004987200000000, -0.0011237500000000 ] - [ -0.0004435400000000, 0.0008362600000000, -0.0000210200000000 ] - [ 0.0003477400000000, 0.0004987200000000, -0.0011237500000000 ] - [ 0.0020922300000000, 0.0000000000000000, 0.0150815000000000 ] - [ 0.0005825200000000, 0.0000000000000000, -0.0015233500000000 ] - [ 0.0004435400000000, -0.0008362600000000, -0.0000210200000000 ] - [ -0.0003477400000000, -0.0004987200000000, -0.0011237500000000 ] - [ 0.0004435400000000, 0.0008362600000000, -0.0000210200000000 ] - [ -0.0003477400000000, 0.0004987200000000, -0.0011237500000000 ] - [ 0.0000000000000000, 0.0092306200000000, 0.0220774900000000 ] - [ 0.0000000000000000, 0.0000152200000000, 0.0024401400000000 ] - [ 0.0000000000000000, -0.0092306200000000, 0.0220774900000000 ] - [ 0.0000000000000000, -0.0000152200000000, 0.0024401400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021860800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021970300000000 ] - [ -0.0011269800000000, 0.0008885100000000, 0.0001077000000000 ] - [ 0.0011269800000000, 0.0008885100000000, 0.0001077000000000 ] - [ -0.0011269800000000, -0.0008885100000000, 0.0001077000000000 ] - [ 0.0011269800000000, -0.0008885100000000, 0.0001077000000000 ] - [ -0.0005858100000000, 0.0000000000000000, -0.0005200900000000 ] - [ 0.0005858100000000, 0.0000000000000000, -0.0005200900000000 ] - [ -0.0002907500000000, -0.0012511500000000, -0.0039344800000000 ] - [ 0.0007827300000000, -0.0001897100000000, -0.0023616700000000 ] - [ -0.0002907500000000, 0.0012511500000000, -0.0039344800000000 ] - [ 0.0007827300000000, 0.0001897100000000, -0.0023616700000000 ] - [ 0.0000222800000000, 0.0000000000000000, -0.0031571700000000 ] - [ 0.0006993900000000, 0.0000000000000000, -0.0021543400000000 ] - [ 0.0002907500000000, -0.0012511500000000, -0.0039344800000000 ] - [ -0.0007827300000000, -0.0001897100000000, -0.0023616700000000 ] - [ 0.0002907500000000, 0.0012511500000000, -0.0039344800000000 ] - [ -0.0007827300000000, 0.0001897100000000, -0.0023616700000000 ] - [ -0.0000222800000000, 0.0000000000000000, -0.0031571700000000 ] - [ -0.0006993900000000, 0.0000000000000000, -0.0021543400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010702100000000 ] - [ 0.0000000000000000, -0.0012046800000000, -0.0000148300000000 ] - [ 0.0000000000000000, -0.0002056600000000, 0.0012524800000000 ] - [ 0.0000000000000000, 0.0012046800000000, -0.0000148300000000 ] - [ 0.0000000000000000, 0.0002056600000000, 0.0012524800000000 ] - [ 0.0001606900000000, 0.0000000000000000, -0.0024353500000000 ] - [ -0.0001606900000000, 0.0000000000000000, -0.0024353500000000 ] - [ 0.0002115500000000, -0.0005146100000000, -0.0020888700000000 ] - [ -0.0002115500000000, -0.0005146100000000, -0.0020888700000000 ] - [ 0.0002115500000000, 0.0005146100000000, -0.0020888700000000 ] - [ -0.0002115500000000, 0.0005146100000000, -0.0020888700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0672085400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004595700000000 ] - [ 0.0000000000000000, -0.0026230000000000, -0.0035731600000000 ] - [ 0.0000000000000000, 0.0000866400000000, -0.0002005800000000 ] - [ 0.0000000000000000, 0.0026230000000000, -0.0035731600000000 ] - [ 0.0000000000000000, -0.0000866400000000, -0.0002005800000000 ] - [ -0.0036617800000000, -0.0008160700000000, -0.0043137400000000 ] - [ -0.0005250100000000, -0.0003671400000000, -0.0005653200000000 ] - [ -0.0036617800000000, 0.0008160700000000, -0.0043137400000000 ] - [ -0.0005250100000000, 0.0003671400000000, -0.0005653200000000 ] - [ -0.0011409300000000, 0.0000000000000000, -0.0007157400000000 ] - [ -0.0002539100000000, 0.0000000000000000, -0.0004813100000000 ] - [ -0.0034992300000000, 0.0000000000000000, -0.0038749900000000 ] - [ 0.0034992300000000, 0.0000000000000000, -0.0038749900000000 ] - [ 0.0003328000000000, 0.0001265600000000, 0.0004266800000000 ] - [ -0.0003328000000000, 0.0001265600000000, 0.0004266800000000 ] - [ 0.0003328000000000, -0.0001265600000000, 0.0004266800000000 ] - [ -0.0003328000000000, -0.0001265600000000, 0.0004266800000000 ] - [ 0.0036617800000000, -0.0008160700000000, -0.0043137400000000 ] - [ 0.0005250100000000, -0.0003671400000000, -0.0005653200000000 ] - [ 0.0036617800000000, 0.0008160700000000, -0.0043137400000000 ] - [ 0.0005250100000000, 0.0003671400000000, -0.0005653200000000 ] - [ 0.0011409300000000, 0.0000000000000000, -0.0007157400000000 ] - [ 0.0002539100000000, 0.0000000000000000, -0.0004813100000000 ] - [ 0.0000000000000000, 0.0002490900000000, 0.0020532200000000 ] - [ 0.0000000000000000, -0.0000279600000000, 0.0004438200000000 ] - [ 0.0000000000000000, -0.0002490900000000, 0.0020532200000000 ] - [ 0.0000000000000000, 0.0000279600000000, 0.0004438200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012611400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003290200000000 ] - [ -0.0004597700000000, 0.0000000000000000, 0.0017003100000000 ] - [ -0.0002677300000000, 0.0000000000000000, 0.0004218700000000 ] - [ -0.0001708800000000, 0.0000261200000000, 0.0011364300000000 ] - [ -0.0003527900000000, -0.0000057800000000, 0.0002975900000000 ] - [ -0.0001708800000000, -0.0000261200000000, 0.0011364300000000 ] - [ -0.0003527900000000, 0.0000057800000000, 0.0002975900000000 ] - [ 0.0002578500000000, 0.0000152500000000, 0.0015257700000000 ] - [ -0.0002578500000000, 0.0000152500000000, 0.0015257700000000 ] - [ 0.0002578500000000, -0.0000152500000000, 0.0015257700000000 ] - [ -0.0002578500000000, -0.0000152500000000, 0.0015257700000000 ] - [ 0.0002290600000000, 0.0000000000000000, 0.0012422200000000 ] - [ -0.0002290600000000, 0.0000000000000000, 0.0012422200000000 ] - [ 0.0004597700000000, 0.0000000000000000, 0.0017003100000000 ] - [ 0.0002677300000000, 0.0000000000000000, 0.0004218700000000 ] - [ 0.0001708800000000, 0.0000261200000000, 0.0011364300000000 ] - [ 0.0003527900000000, -0.0000057800000000, 0.0002975900000000 ] - [ 0.0001708800000000, -0.0000261200000000, 0.0011364300000000 ] - [ 0.0003527900000000, 0.0000057800000000, 0.0002975900000000 ] - [ -0.0009565700000000, -0.0009741800000000, 0.0027876700000000 ] - [ 0.0009565700000000, -0.0009741800000000, 0.0027876700000000 ] - [ -0.0009565700000000, 0.0009741800000000, 0.0027876700000000 ] - [ 0.0009565700000000, 0.0009741800000000, 0.0027876700000000 ] - [ 0.0000788000000000, 0.0000000000000000, 0.0022882200000000 ] - [ -0.0000788000000000, 0.0000000000000000, 0.0022882200000000 ] - [ -0.0001546100000000, -0.0013797700000000, 0.0014955500000000 ] - [ 0.0011963800000000, -0.0000630000000000, -0.0000511800000000 ] - [ -0.0001546100000000, 0.0013797700000000, 0.0014955500000000 ] - [ 0.0011963800000000, 0.0000630000000000, -0.0000511800000000 ] - [ 0.0009148800000000, 0.0000000000000000, -0.0003144900000000 ] - [ 0.0009212300000000, 0.0000000000000000, -0.0000950500000000 ] - [ 0.0001546100000000, -0.0013797700000000, 0.0014955500000000 ] - [ -0.0011963800000000, -0.0000630000000000, -0.0000511800000000 ] - [ 0.0001546100000000, 0.0013797700000000, 0.0014955500000000 ] - [ -0.0011963800000000, 0.0000630000000000, -0.0000511800000000 ] - [ -0.0009148800000000, 0.0000000000000000, -0.0003144900000000 ] - [ -0.0009212300000000, 0.0000000000000000, -0.0000950500000000 ] - [ 0.0008616600000000, 0.0000000000000000, 0.0024833800000000 ] - [ -0.0008616600000000, 0.0000000000000000, 0.0024833800000000 ] - [ 0.0003821100000000, -0.0000024600000000, 0.0024254400000000 ] - [ -0.0003821100000000, -0.0000024600000000, 0.0024254400000000 ] - [ 0.0003821100000000, 0.0000024600000000, 0.0024254400000000 ] - [ -0.0003821100000000, 0.0000024600000000, 0.0024254400000000 ] - [ 0.0010522900000000, 0.0000000000000000, 0.0054303000000000 ] - [ 0.0004432100000000, 0.0000000000000000, -0.0001897700000000 ] - [ 0.0010748900000000, -0.0011660900000000, 0.0011376300000000 ] - [ 0.0007491900000000, -0.0000021500000000, -0.0001716900000000 ] - [ 0.0010748900000000, 0.0011660900000000, 0.0011376300000000 ] - [ 0.0007491900000000, 0.0000021500000000, -0.0001716900000000 ] - [ -0.0010522900000000, 0.0000000000000000, 0.0054303000000000 ] - [ -0.0004432100000000, 0.0000000000000000, -0.0001897700000000 ] - [ -0.0010748900000000, -0.0011660900000000, 0.0011376300000000 ] - [ -0.0007491900000000, -0.0000021500000000, -0.0001716900000000 ] - [ -0.0010748900000000, 0.0011660900000000, 0.0011376300000000 ] - [ -0.0007491900000000, 0.0000021500000000, -0.0001716900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0027095400000000, 0.0000000000000000, -0.0184130000000000 ] - [ 0.0015040200000000, 0.0000000000000000, -0.0019117300000000 ] - [ 0.0013751800000000, 0.0008515700000000, -0.0033974700000000 ] - [ 0.0005817400000000, 0.0004950000000000, -0.0023039900000000 ] - [ 0.0013751800000000, -0.0008515700000000, -0.0033974700000000 ] - [ 0.0005817400000000, -0.0004950000000000, -0.0023039900000000 ] - [ -0.0027095400000000, 0.0000000000000000, -0.0184130000000000 ] - [ -0.0015040200000000, 0.0000000000000000, -0.0019117300000000 ] - [ -0.0013751800000000, 0.0008515700000000, -0.0033974700000000 ] - [ -0.0005817400000000, 0.0004950000000000, -0.0023039900000000 ] - [ -0.0013751800000000, -0.0008515700000000, -0.0033974700000000 ] - [ -0.0005817400000000, -0.0004950000000000, -0.0023039900000000 ] - [ 0.0000000000000000, -0.0099637300000000, -0.0189109700000000 ] - [ 0.0000000000000000, -0.0000171500000000, 0.0011046100000000 ] - [ 0.0000000000000000, 0.0099637300000000, -0.0189109700000000 ] - [ 0.0000000000000000, 0.0000171500000000, 0.0011046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013580600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013431200000000 ] - [ 0.0011136800000000, -0.0008801600000000, -0.0022933300000000 ] - [ -0.0011136800000000, -0.0008801600000000, -0.0022933300000000 ] - [ 0.0011136800000000, 0.0008801600000000, -0.0022933300000000 ] - [ -0.0011136800000000, 0.0008801600000000, -0.0022933300000000 ] - [ 0.0005926600000000, 0.0000000000000000, -0.0016662300000000 ] - [ -0.0005926600000000, 0.0000000000000000, -0.0016662300000000 ] - [ 0.0012217300000000, 0.0012583800000000, 0.0005076300000000 ] - [ 0.0001384700000000, 0.0002045100000000, -0.0010697300000000 ] - [ 0.0012217300000000, -0.0012583800000000, 0.0005076300000000 ] - [ 0.0001384700000000, -0.0002045100000000, -0.0010697300000000 ] - [ 0.0009008400000000, 0.0000000000000000, -0.0002756500000000 ] - [ 0.0002275000000000, 0.0000000000000000, -0.0012686200000000 ] - [ -0.0012217300000000, 0.0012583800000000, 0.0005076300000000 ] - [ -0.0001384700000000, 0.0002045100000000, -0.0010697300000000 ] - [ -0.0012217300000000, -0.0012583800000000, 0.0005076300000000 ] - [ -0.0001384700000000, -0.0002045100000000, -0.0010697300000000 ] - [ -0.0009008400000000, 0.0000000000000000, -0.0002756500000000 ] - [ -0.0002275000000000, 0.0000000000000000, -0.0012686200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050827400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024864300000000 ] - [ 0.0000000000000000, 0.0011978700000000, 0.0035598000000000 ] - [ 0.0000000000000000, 0.0002100900000000, 0.0022872600000000 ] - [ 0.0000000000000000, -0.0011978700000000, 0.0035598000000000 ] - [ 0.0000000000000000, -0.0002100900000000, 0.0022872600000000 ] - [ -0.0001655100000000, 0.0000000000000000, 0.0002672800000000 ] - [ 0.0001655100000000, 0.0000000000000000, 0.0002672800000000 ] - [ -0.0001993100000000, 0.0005131000000000, -0.0000894700000000 ] - [ 0.0001993100000000, 0.0005131000000000, -0.0000894700000000 ] - [ -0.0001993100000000, -0.0005131000000000, -0.0000894700000000 ] - [ 0.0001993100000000, -0.0005131000000000, -0.0000894700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0679360100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005974800000000 ] - [ 0.0000000000000000, 0.0026317700000000, 0.0037361000000000 ] - [ 0.0000000000000000, -0.0000879200000000, 0.0003356900000000 ] - [ 0.0000000000000000, -0.0026317700000000, 0.0037361000000000 ] - [ 0.0000000000000000, 0.0000879200000000, 0.0003356900000000 ] - [ 0.0028475600000000, 0.0008690500000000, 0.0041466300000000 ] - [ -0.0002384300000000, 0.0003670800000000, 0.0003790500000000 ] - [ 0.0028475600000000, -0.0008690500000000, 0.0041466300000000 ] - [ -0.0002384300000000, -0.0003670800000000, 0.0003790500000000 ] - [ 0.0003776200000000, 0.0000000000000000, 0.0005333600000000 ] - [ -0.0005100600000000, 0.0000000000000000, 0.0002967000000000 ] - [ 0.0034877400000000, 0.0000000000000000, 0.0053401100000000 ] - [ -0.0034877400000000, 0.0000000000000000, 0.0053401100000000 ] - [ -0.0003285400000000, -0.0001322100000000, 0.0010568900000000 ] - [ 0.0003285400000000, -0.0001322100000000, 0.0010568900000000 ] - [ -0.0003285400000000, 0.0001322100000000, 0.0010568900000000 ] - [ 0.0003285400000000, 0.0001322100000000, 0.0010568900000000 ] - [ -0.0028475600000000, 0.0008690500000000, 0.0041466300000000 ] - [ 0.0002384300000000, 0.0003670800000000, 0.0003790500000000 ] - [ -0.0028475600000000, -0.0008690500000000, 0.0041466300000000 ] - [ 0.0002384300000000, -0.0003670800000000, 0.0003790500000000 ] - [ -0.0003776200000000, 0.0000000000000000, 0.0005333600000000 ] - [ 0.0005100600000000, 0.0000000000000000, 0.0002967000000000 ] - [ 0.0000000000000000, -0.0002535400000000, -0.0019184300000000 ] - [ 0.0000000000000000, 0.0000299000000000, -0.0003086200000000 ] - [ 0.0000000000000000, 0.0002535400000000, -0.0019184300000000 ] - [ 0.0000000000000000, -0.0000299000000000, -0.0003086200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011186500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001944700000000 ] - [ -0.0002988300000000, 0.0000000000000000, -0.0018935600000000 ] - [ -0.0005002700000000, 0.0000000000000000, -0.0006090000000000 ] - [ -0.0005922700000000, -0.0000225400000000, -0.0013214600000000 ] - [ -0.0004125200000000, 0.0000060200000000, -0.0004834200000000 ] - [ -0.0005922700000000, 0.0000225400000000, -0.0013214600000000 ] - [ -0.0004125200000000, -0.0000060200000000, -0.0004834200000000 ] - [ -0.0002618600000000, -0.0000149700000000, -0.0000444200000000 ] - [ 0.0002618600000000, -0.0000149700000000, -0.0000444200000000 ] - [ -0.0002618600000000, 0.0000149700000000, -0.0000444200000000 ] - [ 0.0002618600000000, 0.0000149700000000, -0.0000444200000000 ] - [ -0.0002297300000000, 0.0000000000000000, 0.0002413300000000 ] - [ 0.0002297300000000, 0.0000000000000000, 0.0002413300000000 ] - [ 0.0002988300000000, 0.0000000000000000, -0.0018935600000000 ] - [ 0.0005002700000000, 0.0000000000000000, -0.0006090000000000 ] - [ 0.0005922700000000, -0.0000225400000000, -0.0013214600000000 ] - [ 0.0004125200000000, 0.0000060200000000, -0.0004834200000000 ] - [ 0.0005922700000000, 0.0000225400000000, -0.0013214600000000 ] - [ 0.0004125200000000, -0.0000060200000000, -0.0004834200000000 ] - [ 0.0009595200000000, 0.0009768700000000, 0.0019878300000000 ] - [ -0.0009595200000000, 0.0009768700000000, 0.0019878300000000 ] - [ 0.0009595200000000, -0.0009768700000000, 0.0019878300000000 ] - [ -0.0009595200000000, -0.0009768700000000, 0.0019878300000000 ] - [ -0.0000792000000000, 0.0000000000000000, 0.0024922600000000 ] - [ 0.0000792000000000, 0.0000000000000000, 0.0024922600000000 ] - [ 0.0020153800000000, 0.0013765600000000, -0.0017626300000000 ] - [ 0.0006651900000000, 0.0000653500000000, -0.0002176600000000 ] - [ 0.0020153800000000, -0.0013765600000000, -0.0017626300000000 ] - [ 0.0006651900000000, -0.0000653500000000, -0.0002176600000000 ] - [ 0.0009495100000000, 0.0000000000000000, 0.0000442900000000 ] - [ 0.0009438800000000, 0.0000000000000000, -0.0001734700000000 ] - [ -0.0020153800000000, 0.0013765600000000, -0.0017626300000000 ] - [ -0.0006651900000000, 0.0000653500000000, -0.0002176600000000 ] - [ -0.0020153800000000, -0.0013765600000000, -0.0017626300000000 ] - [ -0.0006651900000000, -0.0000653500000000, -0.0002176600000000 ] - [ -0.0009495100000000, 0.0000000000000000, 0.0000442900000000 ] - [ -0.0009438800000000, 0.0000000000000000, -0.0001734700000000 ] - [ -0.0008648200000000, 0.0000000000000000, 0.0022983700000000 ] - [ 0.0008648200000000, 0.0000000000000000, 0.0022983700000000 ] - [ -0.0003828500000000, 0.0000027500000000, 0.0023580600000000 ] - [ 0.0003828500000000, 0.0000027500000000, 0.0023580600000000 ] - [ -0.0003828500000000, -0.0000027500000000, 0.0023580600000000 ] - [ 0.0003828500000000, -0.0000027500000000, 0.0023580600000000 ] - [ 0.0008366800000000, 0.0000000000000000, -0.0057694800000000 ] - [ 0.0014243800000000, 0.0000000000000000, -0.0000764400000000 ] - [ 0.0007887600000000, 0.0011626400000000, -0.0014006000000000 ] - [ 0.0011161500000000, 0.0000016900000000, -0.0000955400000000 ] - [ 0.0007887600000000, -0.0011626400000000, -0.0014006000000000 ] - [ 0.0011161500000000, -0.0000016900000000, -0.0000955400000000 ] - [ -0.0008366800000000, 0.0000000000000000, -0.0057694800000000 ] - [ -0.0014243800000000, 0.0000000000000000, -0.0000764400000000 ] - [ -0.0007887600000000, 0.0011626400000000, -0.0014006000000000 ] - [ -0.0011161500000000, 0.0000016900000000, -0.0000955400000000 ] - [ -0.0007887600000000, -0.0011626400000000, -0.0014006000000000 ] - [ -0.0011161500000000, -0.0000016900000000, -0.0000955400000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0033320100000000, 0.0019572600000000, 0.0008760700000000 ] - [ -0.0028658900000000, -0.0022423300000000, -0.0045722300000000 ] - [ 0.0000195500000000, 0.0000000000000000, -0.0009441200000000 ] - [ 0.0002972300000000, 0.0000000000000000, -0.0024741200000000 ] - [ -0.0033320100000000, -0.0019572600000000, 0.0008760700000000 ] - [ -0.0028658900000000, 0.0022423300000000, -0.0045722300000000 ] - [ 0.0174218500000000, 0.0015935900000000, -0.0023344600000000 ] - [ -0.0020204200000000, -0.0001017900000000, -0.0015337100000000 ] - [ 0.0010614200000000, 0.0000000000000000, -0.0016521700000000 ] - [ -0.0013507700000000, 0.0000000000000000, -0.0017016100000000 ] - [ 0.0174218500000000, -0.0015935900000000, -0.0023344600000000 ] - [ -0.0020204200000000, 0.0001017900000000, -0.0015337100000000 ] - [ 0.0285546200000000, 0.0000000000000000, 0.0147178300000000 ] - [ -0.0032680700000000, 0.0000000000000000, 0.0027418900000000 ] - [ 0.0013327900000000, 0.0036625300000000, 0.0003753400000000 ] - [ -0.0010985700000000, -0.0004557500000000, 0.0020739800000000 ] - [ 0.0013327900000000, -0.0036625300000000, 0.0003753400000000 ] - [ -0.0010985700000000, 0.0004557500000000, 0.0020739800000000 ] - [ -0.0034765800000000, 0.0000000000000000, -0.0019482600000000 ] - [ 0.0254922500000000, 0.0000000000000000, -0.0168677000000000 ] - [ -0.0012564800000000, 0.0004275600000000, -0.0012971200000000 ] - [ 0.0014491000000000, -0.0042614400000000, 0.0006298000000000 ] - [ -0.0012564800000000, -0.0004275600000000, -0.0012971200000000 ] - [ 0.0014491000000000, 0.0042614400000000, 0.0006298000000000 ] - [ -0.0003470600000000, 0.0000000000000000, -0.0025053000000000 ] - [ 0.0001070100000000, 0.0000000000000000, -0.0015377700000000 ] - [ -0.0001526500000000, 0.0006333800000000, -0.0024381500000000 ] - [ 0.0001321700000000, -0.0003876600000000, -0.0014961700000000 ] - [ -0.0001526500000000, -0.0006333800000000, -0.0024381500000000 ] - [ 0.0001321700000000, 0.0003876600000000, -0.0014961700000000 ] - [ 0.0016759100000000, 0.0000000000000000, -0.0019842900000000 ] - [ -0.0013975500000000, 0.0000000000000000, -0.0017392000000000 ] - [ 0.0013652400000000, 0.0001528500000000, -0.0020629800000000 ] - [ -0.0013248800000000, -0.0000132400000000, -0.0016939600000000 ] - [ 0.0013652400000000, -0.0001528500000000, -0.0020629800000000 ] - [ -0.0013248800000000, 0.0000132400000000, -0.0016939600000000 ] - [ 0.0003646700000000, 0.0006189800000000, 0.0016949300000000 ] - [ -0.0006116200000000, -0.0003081300000000, 0.0015700900000000 ] - [ 0.0005668300000000, 0.0000000000000000, 0.0014538500000000 ] - [ -0.0004954000000000, 0.0000000000000000, 0.0017165500000000 ] - [ 0.0003646700000000, -0.0006189800000000, 0.0016949300000000 ] - [ -0.0006116200000000, 0.0003081300000000, 0.0015700900000000 ] - [ -0.0006634800000000, 0.0000453000000000, -0.0012003700000000 ] - [ 0.0008639100000000, -0.0009123300000000, -0.0015044600000000 ] - [ -0.0005245500000000, 0.0000000000000000, -0.0011581700000000 ] - [ 0.0004687400000000, 0.0000000000000000, -0.0011003300000000 ] - [ -0.0006634800000000, -0.0000453000000000, -0.0012003700000000 ] - [ 0.0008639100000000, 0.0009123300000000, -0.0015044600000000 ] - [ 0.0060133800000000, -0.0129742100000000, -0.0031521600000000 ] - [ 0.0015877300000000, 0.0005799400000000, -0.0000671400000000 ] - [ -0.0006712800000000, 0.0000000000000000, -0.0006806400000000 ] - [ 0.0006581200000000, 0.0000000000000000, 0.0002030600000000 ] - [ 0.0060133800000000, 0.0129742100000000, -0.0031521600000000 ] - [ 0.0015877300000000, -0.0005799400000000, -0.0000671400000000 ] - [ -0.1217988900000000, 0.0000000000000000, -0.0024681900000000 ] - [ 0.0012898700000000, 0.0000000000000000, -0.0002543500000000 ] - [ -0.0031981200000000, 0.0001677100000000, -0.0000974600000000 ] - [ 0.0005212500000000, 0.0000316900000000, -0.0001564900000000 ] - [ -0.0031981200000000, -0.0001677100000000, -0.0000974600000000 ] - [ 0.0005212500000000, -0.0000316900000000, -0.0001564900000000 ] - [ 0.0015738800000000, -0.0006183400000000, 0.0007492100000000 ] - [ 0.0076453300000000, 0.0153095200000000, 0.0040390400000000 ] - [ 0.0006785300000000, 0.0000000000000000, 0.0005588000000000 ] - [ -0.0006559300000000, 0.0000000000000000, 0.0016162800000000 ] - [ 0.0015738800000000, 0.0006183400000000, 0.0007492100000000 ] - [ 0.0076453300000000, -0.0153095200000000, 0.0040390400000000 ] - [ 0.0095791100000000, 0.0000000000000000, -0.0051932400000000 ] - [ 0.0078231900000000, 0.0000000000000000, 0.0049645300000000 ] - [ 0.0015202500000000, -0.0011939300000000, 0.0001362200000000 ] - [ 0.0015194000000000, 0.0014693500000000, -0.0002646400000000 ] - [ 0.0015202500000000, 0.0011939300000000, 0.0001362200000000 ] - [ 0.0015194000000000, -0.0014693500000000, -0.0002646400000000 ] - [ -0.0003313200000000, 0.0000000000000000, -0.0000120100000000 ] - [ 0.0005107200000000, 0.0000000000000000, 0.0001884200000000 ] - [ -0.0004967100000000, -0.0002673700000000, 0.0002802300000000 ] - [ 0.0004542800000000, 0.0000984200000000, 0.0001020500000000 ] - [ -0.0004967100000000, 0.0002673700000000, 0.0002802300000000 ] - [ 0.0004542800000000, -0.0000984200000000, 0.0001020500000000 ] - [ -0.0015007500000000, -0.0001881400000000, -0.0000620800000000 ] - [ 0.0002375600000000, 0.0000384500000000, -0.0000175400000000 ] - [ -0.0009773000000000, 0.0000000000000000, 0.0001056300000000 ] - [ 0.0001294800000000, 0.0000000000000000, -0.0000724000000000 ] - [ -0.0015007500000000, 0.0001881400000000, -0.0000620800000000 ] - [ 0.0002375600000000, -0.0000384500000000, -0.0000175400000000 ] - [ 0.0005674500000000, 0.0000000000000000, 0.0007969000000000 ] - [ -0.0006560500000000, 0.0000000000000000, 0.0012174500000000 ] - [ 0.0005582900000000, -0.0000516800000000, 0.0008349000000000 ] - [ -0.0005135900000000, 0.0004773400000000, 0.0007106500000000 ] - [ 0.0005582900000000, 0.0000516800000000, 0.0008349000000000 ] - [ -0.0005135900000000, -0.0004773400000000, 0.0007106500000000 ] - [ 0.0006673100000000, -0.0001067200000000, 0.0003077200000000 ] - [ 0.0005534800000000, 0.0001054700000000, -0.0002248700000000 ] - [ 0.0003852500000000, 0.0000000000000000, 0.0002643300000000 ] - [ 0.0004567300000000, 0.0000000000000000, -0.0002412600000000 ] - [ 0.0006673100000000, 0.0001067200000000, 0.0003077200000000 ] - [ 0.0005534800000000, -0.0001054700000000, -0.0002248700000000 ] - [ 0.0012178900000000, 0.0000000000000000, 0.0014310400000000 ] - [ 0.0016981400000000, 0.0000000000000000, 0.0076797200000000 ] - [ 0.0003727100000000, -0.0001857000000000, 0.0020960900000000 ] - [ -0.0007855900000000, 0.0000911300000000, 0.0026459600000000 ] - [ 0.0003727100000000, 0.0001857000000000, 0.0020960900000000 ] - [ -0.0007855900000000, -0.0000911300000000, 0.0026459600000000 ] - [ 0.0021760700000000, 0.0000000000000000, -0.0024572100000000 ] - [ 0.0005016200000000, 0.0000000000000000, -0.0000256400000000 ] - [ 0.0010774100000000, 0.0002799100000000, 0.0003404200000000 ] - [ 0.0006924900000000, 0.0000538300000000, -0.0001775700000000 ] - [ 0.0010774100000000, -0.0002799100000000, 0.0003404200000000 ] - [ 0.0006924900000000, -0.0000538300000000, -0.0001775700000000 ] - [ -0.0018584500000000, 0.0000000000000000, -0.0004942800000000 ] - [ -0.0012546900000000, 0.0000000000000000, 0.0006851100000000 ] - [ -0.0012608000000000, -0.0001817600000000, -0.0003536500000000 ] - [ -0.0007141700000000, 0.0002108000000000, 0.0002005700000000 ] - [ -0.0012608000000000, 0.0001817600000000, -0.0003536500000000 ] - [ -0.0007141700000000, -0.0002108000000000, 0.0002005700000000 ] - [ 0.0007138300000000, -0.0001194800000000, 0.0024889600000000 ] - [ -0.0008935500000000, 0.0016696900000000, 0.0006396600000000 ] - [ 0.0003794300000000, 0.0000000000000000, 0.0023746500000000 ] - [ -0.0003457300000000, 0.0000000000000000, 0.0019418400000000 ] - [ 0.0007138300000000, 0.0001194800000000, 0.0024889600000000 ] - [ -0.0008935500000000, -0.0016696900000000, 0.0006396600000000 ] - [ 0.0010669100000000, -0.0013920300000000, 0.0018823600000000 ] - [ 0.0006162200000000, 0.0001201600000000, -0.0003305900000000 ] - [ 0.0013135000000000, 0.0000000000000000, 0.0002576500000000 ] - [ 0.0007120600000000, 0.0000000000000000, -0.0002339100000000 ] - [ 0.0010669100000000, 0.0013920300000000, 0.0018823600000000 ] - [ 0.0006162200000000, -0.0001201600000000, -0.0003305900000000 ] - [ -0.0004291500000000, -0.0022585300000000, 0.0022632200000000 ] - [ -0.0006302200000000, 0.0002579000000000, -0.0004595800000000 ] - [ -0.0012438500000000, 0.0000000000000000, 0.0001558800000000 ] - [ -0.0008128300000000, 0.0000000000000000, -0.0002054300000000 ] - [ -0.0004291500000000, 0.0022585300000000, 0.0022632200000000 ] - [ -0.0006302200000000, -0.0002579000000000, -0.0004595800000000 ]- atom: 55 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0042733900000000, -0.0019743100000000, -0.0043339300000000 ] - [ 0.0037993000000000, 0.0022287700000000, 0.0011156100000000 ] - [ 0.0009088700000000, 0.0000000000000000, -0.0024983800000000 ] - [ 0.0006416000000000, 0.0000000000000000, -0.0009694100000000 ] - [ 0.0042733900000000, 0.0019743100000000, -0.0043339300000000 ] - [ 0.0037993000000000, -0.0022287700000000, 0.0011156100000000 ] - [ -0.0183773700000000, -0.0015407600000000, -0.0011575700000000 ] - [ 0.0010879600000000, 0.0001009800000000, -0.0019103500000000 ] - [ -0.0019934300000000, 0.0000000000000000, -0.0017833800000000 ] - [ 0.0004183800000000, 0.0000000000000000, -0.0017379200000000 ] - [ -0.0183773700000000, 0.0015407600000000, -0.0011575700000000 ] - [ 0.0010879600000000, -0.0001009800000000, -0.0019103500000000 ] - [ -0.0308269600000000, 0.0000000000000000, -0.0123086100000000 ] - [ 0.0032512300000000, 0.0000000000000000, 0.0008110200000000 ] - [ -0.0013583300000000, -0.0036789000000000, 0.0031786900000000 ] - [ 0.0011003100000000, 0.0004501600000000, 0.0014754800000000 ] - [ -0.0013583300000000, 0.0036789000000000, 0.0031786900000000 ] - [ 0.0011003100000000, -0.0004501600000000, 0.0014754800000000 ] - [ 0.0034983200000000, 0.0000000000000000, -0.0002312800000000 ] - [ -0.0236417200000000, 0.0000000000000000, 0.0134368600000000 ] - [ 0.0012569300000000, -0.0004348000000000, -0.0008875300000000 ] - [ -0.0014310600000000, 0.0042446000000000, -0.0028222100000000 ] - [ 0.0012569300000000, 0.0004348000000000, -0.0008875300000000 ] - [ -0.0014310600000000, -0.0042446000000000, -0.0028222100000000 ] - [ 0.0012775100000000, 0.0000000000000000, -0.0009125800000000 ] - [ 0.0008205600000000, 0.0000000000000000, -0.0018800000000000 ] - [ 0.0010852100000000, -0.0006401100000000, -0.0009824100000000 ] - [ 0.0007951200000000, 0.0003859900000000, -0.0019289400000000 ] - [ 0.0010852100000000, 0.0006401100000000, -0.0009824100000000 ] - [ 0.0007951200000000, -0.0003859900000000, -0.0019289400000000 ] - [ -0.0025956800000000, 0.0000000000000000, -0.0014343900000000 ] - [ 0.0004662200000000, 0.0000000000000000, -0.0016868000000000 ] - [ -0.0022837100000000, -0.0001589500000000, -0.0013581200000000 ] - [ 0.0003910900000000, 0.0000079400000000, -0.0017313800000000 ] - [ -0.0022837100000000, 0.0001589500000000, -0.0013581200000000 ] - [ 0.0003910900000000, -0.0000079400000000, -0.0017313800000000 ] - [ -0.0003761100000000, -0.0006142400000000, 0.0018749400000000 ] - [ 0.0006129900000000, 0.0003079000000000, 0.0019898200000000 ] - [ -0.0005812100000000, 0.0000000000000000, 0.0021159800000000 ] - [ 0.0004914200000000, 0.0000000000000000, 0.0018432700000000 ] - [ -0.0003761100000000, 0.0006142400000000, 0.0018749400000000 ] - [ 0.0006129900000000, -0.0003079000000000, 0.0019898200000000 ] - [ 0.0006615700000000, -0.0000482100000000, -0.0009778400000000 ] - [ -0.0008593300000000, 0.0009167200000000, -0.0006578000000000 ] - [ 0.0005249100000000, 0.0000000000000000, -0.0010234100000000 ] - [ -0.0004599800000000, 0.0000000000000000, -0.0010641400000000 ] - [ 0.0006615700000000, 0.0000482100000000, -0.0009778400000000 ] - [ -0.0008593300000000, -0.0009167200000000, -0.0006578000000000 ] - [ -0.0060327100000000, 0.0131447900000000, 0.0033590900000000 ] - [ -0.0015871300000000, -0.0005745200000000, 0.0002209900000000 ] - [ 0.0006792300000000, 0.0000000000000000, 0.0008389300000000 ] - [ -0.0006633300000000, 0.0000000000000000, -0.0000504400000000 ] - [ -0.0060327100000000, -0.0131447900000000, 0.0033590900000000 ] - [ -0.0015871300000000, 0.0005745200000000, 0.0002209900000000 ] - [ 0.1215495700000000, 0.0000000000000000, 0.0045612500000000 ] - [ -0.0020573900000000, 0.0000000000000000, 0.0000702900000000 ] - [ 0.0024377100000000, -0.0002076900000000, -0.0000529800000000 ] - [ -0.0012875200000000, -0.0000281500000000, -0.0000327700000000 ] - [ 0.0024377100000000, 0.0002076900000000, -0.0000529800000000 ] - [ -0.0012875200000000, 0.0000281500000000, -0.0000327700000000 ] - [ -0.0015769700000000, 0.0006247100000000, 0.0007304900000000 ] - [ -0.0076167600000000, -0.0151083600000000, -0.0025165800000000 ] - [ -0.0006758600000000, 0.0000000000000000, 0.0009205000000000 ] - [ 0.0006475100000000, 0.0000000000000000, -0.0001302100000000 ] - [ -0.0015769700000000, -0.0006247100000000, 0.0007304900000000 ] - [ -0.0076167600000000, 0.0151083600000000, -0.0025165800000000 ] - [ -0.0089042200000000, 0.0000000000000000, 0.0050617700000000 ] - [ -0.0070136500000000, 0.0000000000000000, -0.0051077300000000 ] - [ -0.0007579000000000, 0.0012019700000000, -0.0003300900000000 ] - [ -0.0007545900000000, -0.0014617900000000, 0.0000725200000000 ] - [ -0.0007579000000000, -0.0012019700000000, -0.0003300900000000 ] - [ -0.0007545900000000, 0.0014617900000000, 0.0000725200000000 ] - [ 0.0003370200000000, 0.0000000000000000, 0.0001501900000000 ] - [ -0.0005140800000000, 0.0000000000000000, -0.0000430400000000 ] - [ 0.0005032600000000, 0.0002690600000000, -0.0001400600000000 ] - [ -0.0004538000000000, -0.0000993200000000, 0.0000434900000000 ] - [ 0.0005032600000000, -0.0002690600000000, -0.0001400600000000 ] - [ -0.0004538000000000, 0.0000993200000000, 0.0000434900000000 ] - [ 0.0007291800000000, 0.0001870800000000, -0.0001414400000000 ] - [ -0.0010016800000000, -0.0000362500000000, -0.0001802000000000 ] - [ 0.0002093200000000, 0.0000000000000000, -0.0003081600000000 ] - [ -0.0008914700000000, 0.0000000000000000, -0.0001242900000000 ] - [ 0.0007291800000000, -0.0001870800000000, -0.0001414400000000 ] - [ -0.0010016800000000, 0.0000362500000000, -0.0001802000000000 ] - [ -0.0005669600000000, 0.0000000000000000, 0.0006759500000000 ] - [ 0.0006543200000000, 0.0000000000000000, 0.0002469900000000 ] - [ -0.0005613700000000, 0.0000532800000000, 0.0006374500000000 ] - [ 0.0005069400000000, -0.0004748300000000, 0.0007531600000000 ] - [ -0.0005613700000000, -0.0000532800000000, 0.0006374500000000 ] - [ 0.0005069400000000, 0.0004748300000000, 0.0007531600000000 ] - [ 0.0001001900000000, 0.0001079500000000, -0.0005117800000000 ] - [ 0.0002109200000000, -0.0001051800000000, 0.0000228700000000 ] - [ 0.0003822100000000, 0.0000000000000000, -0.0004672400000000 ] - [ 0.0003071300000000, 0.0000000000000000, 0.0000394000000000 ] - [ 0.0001001900000000, -0.0001079500000000, -0.0005117800000000 ] - [ 0.0002109200000000, 0.0001051800000000, 0.0000228700000000 ] - [ -0.0012166900000000, 0.0000000000000000, 0.0033743300000000 ] - [ -0.0017114000000000, 0.0000000000000000, -0.0028906800000000 ] - [ -0.0003721500000000, 0.0001874300000000, 0.0027043400000000 ] - [ 0.0007671000000000, -0.0001060200000000, 0.0021362200000000 ] - [ -0.0003721500000000, -0.0001874300000000, 0.0027043400000000 ] - [ 0.0007671000000000, 0.0001060200000000, 0.0021362200000000 ] - [ -0.0002988700000000, 0.0000000000000000, 0.0021560200000000 ] - [ 0.0013629500000000, 0.0000000000000000, -0.0002470400000000 ] - [ 0.0008007400000000, -0.0002978300000000, -0.0006318500000000 ] - [ 0.0011716100000000, -0.0000516900000000, -0.0000916600000000 ] - [ 0.0008007400000000, 0.0002978300000000, -0.0006318500000000 ] - [ 0.0011716100000000, 0.0000516900000000, -0.0000916600000000 ] - [ -0.0000126900000000, 0.0000000000000000, 0.0002250400000000 ] - [ -0.0006080700000000, 0.0000000000000000, -0.0009463100000000 ] - [ -0.0006081200000000, 0.0001815400000000, 0.0000847200000000 ] - [ -0.0011473700000000, -0.0002120800000000, -0.0004687500000000 ] - [ -0.0006081200000000, -0.0001815400000000, 0.0000847200000000 ] - [ -0.0011473700000000, 0.0002120800000000, -0.0004687500000000 ] - [ -0.0007094700000000, 0.0001223800000000, 0.0023023700000000 ] - [ 0.0008889800000000, -0.0016515900000000, 0.0041393300000000 ] - [ -0.0003796700000000, 0.0000000000000000, 0.0024183800000000 ] - [ 0.0003437200000000, 0.0000000000000000, 0.0028509300000000 ] - [ -0.0007094700000000, -0.0001223800000000, 0.0023023700000000 ] - [ 0.0008889800000000, 0.0016515900000000, 0.0041393300000000 ] - [ 0.0008189200000000, 0.0013898400000000, -0.0021425000000000 ] - [ 0.0012490600000000, -0.0001181300000000, 0.0000607300000000 ] - [ 0.0005550500000000, 0.0000000000000000, -0.0005286800000000 ] - [ 0.0011533000000000, 0.0000000000000000, -0.0000351000000000 ] - [ 0.0008189200000000, -0.0013898400000000, -0.0021425000000000 ] - [ 0.0012490600000000, 0.0001181300000000, 0.0000607300000000 ] - [ -0.0014541100000000, 0.0022855300000000, -0.0025528000000000 ] - [ -0.0012361400000000, -0.0002550700000000, 0.0001881100000000 ] - [ -0.0006232400000000, 0.0000000000000000, -0.0004233200000000 ] - [ -0.0010533500000000, 0.0000000000000000, -0.0000623300000000 ] - [ -0.0014541100000000, -0.0022855300000000, -0.0025528000000000 ] - [ -0.0012361400000000, 0.0002550700000000, 0.0001881100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039321300000000, 0.0009876200000000, -0.0025064500000000 ] - [ -0.0028649400000000, 0.0013285100000000, -0.0035124800000000 ] - [ 0.0004689400000000, -0.0018373200000000, -0.0017131000000000 ] - [ 0.0004589800000000, -0.0021988000000000, -0.0017113100000000 ] - [ -0.0029887600000000, 0.0009615300000000, -0.0009140200000000 ] - [ 0.0037818700000000, 0.0012998700000000, 0.0000866000000000 ] - [ 0.0000993700000000, 0.0246549300000000, 0.0110770200000000 ] - [ -0.0004446000000000, 0.0004080000000000, -0.0017209200000000 ] - [ -0.0004656400000000, -0.0054494500000000, -0.0017180800000000 ] - [ -0.0004652300000000, -0.0008020100000000, -0.0017137700000000 ] - [ -0.0009617800000000, 0.0229783800000000, -0.0132346700000000 ] - [ -0.0004859200000000, 0.0003996900000000, -0.0017074100000000 ] - [ -0.0000101000000000, 0.0160444200000000, 0.0018257600000000 ] - [ 0.0000075100000000, 0.0007946700000000, 0.0017767900000000 ] - [ 0.0018610500000000, -0.0040877200000000, 0.0037539000000000 ] - [ -0.0005321900000000, -0.0003868600000000, 0.0019998400000000 ] - [ -0.0018407300000000, -0.0040912900000000, -0.0001738600000000 ] - [ 0.0005306100000000, -0.0003925100000000, 0.0015599500000000 ] - [ -0.0000080100000000, 0.0009383700000000, -0.0010908300000000 ] - [ 0.0000247500000000, 0.0170036600000000, -0.0010530900000000 ] - [ 0.0004726000000000, -0.0004625200000000, -0.0009343000000000 ] - [ -0.0016607100000000, -0.0047537700000000, 0.0011335000000000 ] - [ -0.0004724000000000, -0.0004681400000000, -0.0012413600000000 ] - [ 0.0016435700000000, -0.0047550400000000, -0.0032924600000000 ] - [ 0.0004644300000000, 0.0010531300000000, -0.0017219500000000 ] - [ 0.0004664400000000, 0.0007323500000000, -0.0017195800000000 ] - [ 0.0006653000000000, -0.0005603000000000, -0.0015609400000000 ] - [ 0.0003515600000000, -0.0003649600000000, -0.0016904900000000 ] - [ 0.0002686000000000, -0.0005701200000000, -0.0018826200000000 ] - [ 0.0005798600000000, -0.0003739800000000, -0.0017500600000000 ] - [ -0.0004655800000000, 0.0019076900000000, -0.0017226500000000 ] - [ -0.0004657900000000, 0.0006174500000000, -0.0017186300000000 ] - [ -0.0009107200000000, -0.0010633900000000, -0.0014052100000000 ] - [ -0.0004349600000000, -0.0002938400000000, -0.0016647500000000 ] - [ -0.0000203300000000, -0.0010760300000000, -0.0020432600000000 ] - [ -0.0004994300000000, -0.0002964600000000, -0.0017703400000000 ] - [ 0.0002522200000000, 0.0010124700000000, 0.0016788400000000 ] - [ -0.0000034100000000, 0.0003460100000000, 0.0016888200000000 ] - [ 0.0000044000000000, -0.0023899100000000, 0.0017651600000000 ] - [ -0.0000022700000000, -0.0006787600000000, 0.0017730900000000 ] - [ -0.0002502000000000, 0.0009961900000000, 0.0018630800000000 ] - [ 0.0000041600000000, 0.0003389800000000, 0.0018606800000000 ] - [ 0.0000604900000000, 0.0003608300000000, -0.0011707900000000 ] - [ -0.0001959200000000, 0.0008370200000000, -0.0012626000000000 ] - [ 0.0000031100000000, -0.0007406200000000, -0.0010966900000000 ] - [ -0.0000019200000000, -0.0017286300000000, -0.0010979900000000 ] - [ -0.0000585900000000, 0.0003588300000000, -0.0010180500000000 ] - [ 0.0001922100000000, 0.0008200300000000, -0.0009272200000000 ] - [ -0.0125847700000000, 0.0051110300000000, -0.0007757500000000 ] - [ 0.0005116100000000, -0.0002602600000000, -0.0002941200000000 ] - [ -0.0000061100000000, 0.0022620200000000, 0.0000725200000000 ] - [ 0.0000006000000000, 0.0005493100000000, 0.0000724000000000 ] - [ 0.0124322900000000, 0.0051197200000000, 0.0009072800000000 ] - [ -0.0005131500000000, -0.0002530300000000, 0.0004404800000000 ] - [ -0.0005132400000000, -0.1099266500000000, -0.0013647900000000 ] - [ -0.0003825900000000, -0.0004491500000000, -0.0000995700000000 ] - [ -0.0005688300000000, 0.0066014700000000, -0.0030457600000000 ] - [ -0.0004130700000000, 0.0002145600000000, -0.0000201200000000 ] - [ -0.0001963600000000, 0.0065561600000000, 0.0028085900000000 ] - [ -0.0003527100000000, 0.0002160700000000, -0.0001762900000000 ] - [ -0.0004665300000000, -0.0002772000000000, 0.0003507900000000 ] - [ 0.0153799900000000, 0.0073527800000000, -0.0012148600000000 ] - [ 0.0000003300000000, 0.0006134100000000, 0.0007349600000000 ] - [ 0.0000062400000000, 0.0026547000000000, 0.0007349100000000 ] - [ 0.0004702900000000, -0.0002683500000000, 0.0011191500000000 ] - [ -0.0151875400000000, 0.0073336000000000, 0.0026492000000000 ] - [ 0.0004133200000000, -0.0018965500000000, -0.0001247700000000 ] - [ 0.0003556100000000, -0.0020800400000000, -0.0001258200000000 ] - [ -0.0008193800000000, 0.0011466800000000, -0.0000789500000000 ] - [ 0.0018523500000000, 0.0014240500000000, 0.0002338800000000 ] - [ 0.0015772500000000, 0.0011508100000000, -0.0001218200000000 ] - [ -0.0010775000000000, 0.0014257500000000, -0.0004318200000000 ] - [ 0.0000013300000000, -0.0006545300000000, 0.0000772400000000 ] - [ -0.0000022300000000, -0.0002285600000000, 0.0000765500000000 ] - [ -0.0002776300000000, 0.0004210800000000, 0.0000567600000000 ] - [ 0.0000247500000000, 0.0001110700000000, 0.0000826400000000 ] - [ 0.0002800400000000, 0.0004269900000000, 0.0001058900000000 ] - [ -0.0000241000000000, 0.0001143500000000, 0.0000708000000000 ] - [ -0.0001937300000000, -0.0004326400000000, -0.0003419400000000 ] - [ -0.0004185700000000, -0.0001322700000000, -0.0000750300000000 ] - [ -0.0003803400000000, 0.0010813300000000, -0.0000893200000000 ] - [ -0.0003800800000000, 0.0002510600000000, -0.0000948400000000 ] - [ -0.0005708100000000, -0.0004277300000000, 0.0001539800000000 ] - [ -0.0003443400000000, -0.0001323600000000, -0.0001161400000000 ] - [ 0.0000006700000000, -0.0002845700000000, 0.0007396200000000 ] - [ 0.0000014700000000, -0.0005612800000000, 0.0007378300000000 ] - [ -0.0000639200000000, 0.0001349700000000, 0.0007227600000000 ] - [ 0.0001617300000000, 0.0003189100000000, 0.0007873600000000 ] - [ 0.0000615700000000, 0.0001361000000000, 0.0007569700000000 ] - [ -0.0001649000000000, 0.0003275300000000, 0.0006950900000000 ] - [ 0.0002734300000000, -0.0002434900000000, -0.0001210700000000 ] - [ 0.0004875600000000, -0.0001556400000000, -0.0001035800000000 ] - [ 0.0003756600000000, 0.0005343200000000, -0.0000928900000000 ] - [ 0.0003845600000000, 0.0003059900000000, -0.0000952500000000 ] - [ 0.0004877700000000, -0.0002418600000000, -0.0000687500000000 ] - [ 0.0002789300000000, -0.0001528800000000, -0.0000880000000000 ] - [ -0.0000017200000000, -0.0003530400000000, 0.0023993700000000 ] - [ -0.0000081400000000, -0.0028685400000000, 0.0023784800000000 ] - [ -0.0001633900000000, 0.0002666100000000, 0.0022844200000000 ] - [ 0.0018842800000000, 0.0025069900000000, 0.0042667800000000 ] - [ 0.0001613200000000, 0.0002675900000000, 0.0025095200000000 ] - [ -0.0018612800000000, 0.0024925800000000, 0.0005411900000000 ] - [ 0.0009310800000000, -0.0025004100000000, -0.0001466600000000 ] - [ 0.0009310200000000, -0.0001174800000000, -0.0001349600000000 ] - [ -0.0003885500000000, 0.0028564900000000, 0.0030068600000000 ] - [ 0.0011067500000000, -0.0000606000000000, 0.0000175800000000 ] - [ 0.0022344500000000, 0.0028290200000000, -0.0032403500000000 ] - [ 0.0007622900000000, -0.0000586800000000, -0.0002841300000000 ] - [ -0.0009332500000000, -0.0005273500000000, -0.0001342300000000 ] - [ -0.0009286900000000, -0.0006014900000000, -0.0001356500000000 ] - [ -0.0006035400000000, 0.0002740000000000, 0.0001557100000000 ] - [ -0.0013768000000000, 0.0003379900000000, -0.0000718800000000 ] - [ -0.0012565300000000, 0.0002746400000000, -0.0004224000000000 ] - [ -0.0004973900000000, 0.0003381800000000, -0.0001982800000000 ] - [ -0.0005201700000000, -0.0001543900000000, 0.0023159100000000 ] - [ 0.0001996200000000, -0.0003634700000000, 0.0021351100000000 ] - [ -0.0000004300000000, 0.0001897100000000, 0.0023968900000000 ] - [ -0.0000005600000000, 0.0007475700000000, 0.0023968700000000 ] - [ 0.0005249300000000, -0.0001538200000000, 0.0024814400000000 ] - [ -0.0001989800000000, -0.0003480700000000, 0.0026727700000000 ] - [ -0.0006959500000000, 0.0006849900000000, -0.0027225200000000 ] - [ 0.0012030200000000, -0.0000867400000000, -0.0002865600000000 ] - [ 0.0009330200000000, 0.0007803500000000, -0.0001362600000000 ] - [ 0.0009331600000000, 0.0001477000000000, -0.0001348400000000 ] - [ 0.0025633300000000, 0.0006996700000000, 0.0024558300000000 ] - [ 0.0006600800000000, -0.0000846700000000, 0.0000190500000000 ] - [ -0.0007892700000000, -0.0001190500000000, -0.0007767800000000 ] - [ -0.0011838700000000, -0.0000859600000000, -0.0001847000000000 ] - [ -0.0009338200000000, 0.0006070700000000, -0.0001359600000000 ] - [ -0.0009328700000000, 0.0001692500000000, -0.0001341000000000 ] - [ -0.0010734300000000, -0.0000985800000000, 0.0005220200000000 ] - [ -0.0006806700000000, -0.0000830300000000, -0.0000830100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014406300000000, 0.0007068900000000, -0.0002333700000000 ] - [ -0.0003527400000000, 0.0009209400000000, 0.0004266700000000 ] - [ 0.0007229200000000, 0.0000000000000000, -0.0011087400000000 ] - [ -0.0002488900000000, 0.0000000000000000, -0.0008762800000000 ] - [ 0.0014406300000000, -0.0007068900000000, -0.0002333700000000 ] - [ -0.0003527400000000, -0.0009209400000000, 0.0004266700000000 ] - [ -0.0014914600000000, 0.0118891200000000, 0.0201684400000000 ] - [ -0.0002690800000000, -0.0001569000000000, -0.0007173500000000 ] - [ -0.0004148000000000, 0.0000000000000000, -0.0016063500000000 ] - [ -0.0003708800000000, 0.0000000000000000, -0.0012075400000000 ] - [ -0.0014914600000000, -0.0118891200000000, 0.0201684400000000 ] - [ -0.0002690800000000, 0.0001569000000000, -0.0007173500000000 ] - [ 0.0077723600000000, 0.0000000000000000, 0.0228540500000000 ] - [ 0.0015055300000000, 0.0000000000000000, 0.0019225100000000 ] - [ 0.0007084500000000, 0.0007476000000000, 0.0039308300000000 ] - [ -0.0000091600000000, 0.0004251900000000, 0.0022900600000000 ] - [ 0.0007084500000000, -0.0007476000000000, 0.0039308300000000 ] - [ -0.0000091600000000, -0.0004251900000000, 0.0022900600000000 ] - [ -0.0012343400000000, 0.0000000000000000, -0.0005613800000000 ] - [ -0.0075518100000000, 0.0000000000000000, 0.0208282500000000 ] - [ -0.0000374000000000, 0.0004551100000000, -0.0004463400000000 ] - [ -0.0008038200000000, 0.0015215400000000, -0.0000101700000000 ] - [ -0.0000374000000000, -0.0004551100000000, -0.0004463400000000 ] - [ -0.0008038200000000, -0.0015215400000000, -0.0000101700000000 ] - [ 0.0005395000000000, 0.0000000000000000, -0.0033416600000000 ] - [ 0.0006367400000000, 0.0000000000000000, -0.0030428700000000 ] - [ 0.0004376000000000, 0.0006597400000000, -0.0028820300000000 ] - [ 0.0007061400000000, 0.0004743400000000, -0.0025794400000000 ] - [ 0.0004376000000000, -0.0006597400000000, -0.0028820300000000 ] - [ 0.0007061400000000, -0.0004743400000000, -0.0025794400000000 ] - [ -0.0002266600000000, 0.0000000000000000, -0.0048047700000000 ] - [ -0.0006421100000000, 0.0000000000000000, -0.0026534200000000 ] - [ -0.0002044900000000, 0.0011683800000000, -0.0036083200000000 ] - [ -0.0005819100000000, 0.0003313900000000, -0.0023062900000000 ] - [ -0.0002044900000000, -0.0011683800000000, -0.0036083200000000 ] - [ -0.0005819100000000, -0.0003313900000000, -0.0023062900000000 ] - [ 0.0007466500000000, -0.0012548800000000, -0.0003671000000000 ] - [ -0.0000484300000000, -0.0002327500000000, 0.0009344500000000 ] - [ 0.0004327300000000, 0.0000000000000000, 0.0003962000000000 ] - [ -0.0000323800000000, 0.0000000000000000, 0.0012224600000000 ] - [ 0.0007466500000000, 0.0012548800000000, -0.0003671000000000 ] - [ -0.0000484300000000, 0.0002327500000000, 0.0009344500000000 ] - [ 0.0001913300000000, -0.0002016000000000, -0.0019303800000000 ] - [ -0.0003158000000000, -0.0012387500000000, -0.0031738000000000 ] - [ 0.0001424400000000, 0.0000000000000000, -0.0016382600000000 ] - [ -0.0001981800000000, 0.0000000000000000, -0.0022524400000000 ] - [ 0.0001913300000000, 0.0002016000000000, -0.0019303800000000 ] - [ -0.0003158000000000, 0.0012387500000000, -0.0031738000000000 ] - [ -0.0038670900000000, 0.0000391700000000, -0.0041732400000000 ] - [ -0.0002587800000000, -0.0004581300000000, -0.0004050400000000 ] - [ -0.0005883700000000, 0.0000000000000000, -0.0005560400000000 ] - [ 0.0001362500000000, 0.0000000000000000, -0.0003240000000000 ] - [ -0.0038670900000000, -0.0000391700000000, -0.0041732400000000 ] - [ -0.0002587800000000, 0.0004581300000000, -0.0004050400000000 ] - [ -0.0039991100000000, 0.0000000000000000, -0.0770365300000000 ] - [ -0.0005453700000000, 0.0000000000000000, -0.0009344500000000 ] - [ -0.0004064400000000, 0.0029326000000000, -0.0040850400000000 ] - [ -0.0004462800000000, -0.0000773400000000, -0.0004673100000000 ] - [ -0.0004064400000000, -0.0029326000000000, -0.0040850400000000 ] - [ -0.0004462800000000, 0.0000773400000000, -0.0004673100000000 ] - [ 0.0001241200000000, -0.0003910300000000, 0.0001561100000000 ] - [ 0.0012240300000000, -0.0037009300000000, -0.0051747000000000 ] - [ -0.0001018800000000, 0.0000000000000000, 0.0003590200000000 ] - [ 0.0006400800000000, 0.0000000000000000, 0.0000764900000000 ] - [ 0.0001241200000000, 0.0003910300000000, 0.0001561100000000 ] - [ 0.0012240300000000, 0.0037009300000000, -0.0051747000000000 ] - [ 0.0055059100000000, 0.0000000000000000, -0.0051744100000000 ] - [ -0.0046383400000000, 0.0000000000000000, -0.0058152700000000 ] - [ 0.0001525700000000, -0.0000243100000000, -0.0006106100000000 ] - [ 0.0005501300000000, -0.0003350500000000, -0.0004024100000000 ] - [ 0.0001525700000000, 0.0000243100000000, -0.0006106100000000 ] - [ 0.0005501300000000, 0.0003350500000000, -0.0004024100000000 ] - [ -0.0002952700000000, 0.0000000000000000, 0.0018677700000000 ] - [ 0.0000160300000000, 0.0000000000000000, 0.0005819200000000 ] - [ 0.0001061400000000, -0.0000078300000000, 0.0012968700000000 ] - [ -0.0000313400000000, 0.0000173300000000, 0.0004577700000000 ] - [ 0.0001061400000000, 0.0000078300000000, 0.0012968700000000 ] - [ -0.0000313400000000, -0.0000173300000000, 0.0004577700000000 ] - [ -0.0003424700000000, 0.0002500000000000, 0.0017222700000000 ] - [ -0.0003030800000000, -0.0000196900000000, 0.0004861900000000 ] - [ -0.0001777800000000, 0.0000000000000000, 0.0009675400000000 ] - [ -0.0003574400000000, 0.0000000000000000, 0.0002480300000000 ] - [ -0.0003424700000000, -0.0002500000000000, 0.0017222700000000 ] - [ -0.0003030800000000, 0.0000196900000000, 0.0004861900000000 ] - [ -0.0000447300000000, 0.0000000000000000, 0.0013083800000000 ] - [ -0.0000342200000000, 0.0000000000000000, 0.0023636400000000 ] - [ 0.0000299400000000, -0.0000099600000000, 0.0011747900000000 ] - [ -0.0001156100000000, 0.0001461700000000, 0.0018446700000000 ] - [ 0.0000299400000000, 0.0000099600000000, 0.0011747900000000 ] - [ -0.0001156100000000, -0.0001461700000000, 0.0018446700000000 ] - [ -0.0000271900000000, 0.0000268700000000, 0.0008417000000000 ] - [ 0.0005084300000000, 0.0000084700000000, 0.0007048500000000 ] - [ 0.0000182600000000, 0.0000000000000000, 0.0005231900000000 ] - [ 0.0005240500000000, 0.0000000000000000, 0.0003623000000000 ] - [ -0.0000271900000000, -0.0000268700000000, 0.0008417000000000 ] - [ 0.0005084300000000, -0.0000084700000000, 0.0007048500000000 ] - [ 0.0000844200000000, 0.0000000000000000, 0.0015089400000000 ] - [ 0.0047866200000000, 0.0000000000000000, 0.0080135300000000 ] - [ -0.0001104600000000, 0.0000020700000000, 0.0021940600000000 ] - [ 0.0011052100000000, 0.0009372300000000, 0.0031239700000000 ] - [ -0.0001104600000000, -0.0000020700000000, 0.0021940600000000 ] - [ 0.0011052100000000, -0.0009372300000000, 0.0031239700000000 ] - [ -0.0000605000000000, 0.0000000000000000, 0.0059013500000000 ] - [ 0.0014350700000000, 0.0000000000000000, 0.0001286000000000 ] - [ 0.0003526000000000, 0.0011362000000000, 0.0012902200000000 ] - [ 0.0010515000000000, -0.0000304500000000, -0.0000494700000000 ] - [ 0.0003526000000000, -0.0011362000000000, 0.0012902200000000 ] - [ 0.0010515000000000, 0.0000304500000000, -0.0000494700000000 ] - [ -0.0000838000000000, 0.0000000000000000, -0.0001543500000000 ] - [ -0.0024359900000000, 0.0000000000000000, -0.0004032100000000 ] - [ -0.0006847400000000, 0.0000810600000000, -0.0000800200000000 ] - [ -0.0012584100000000, 0.0000450300000000, -0.0002213600000000 ] - [ -0.0006847400000000, -0.0000810600000000, -0.0000800200000000 ] - [ -0.0012584100000000, -0.0000450300000000, -0.0002213600000000 ] - [ 0.0006967000000000, -0.0000229400000000, 0.0026339100000000 ] - [ -0.0002449000000000, -0.0010256000000000, 0.0033129100000000 ] - [ 0.0000055700000000, 0.0000000000000000, 0.0024300900000000 ] - [ -0.0000358000000000, 0.0000000000000000, 0.0023587300000000 ] - [ 0.0006967000000000, 0.0000229400000000, 0.0026339100000000 ] - [ -0.0002449000000000, 0.0010256000000000, 0.0033129100000000 ] - [ 0.0029043000000000, -0.0025449400000000, 0.0030865300000000 ] - [ 0.0005383700000000, -0.0001100300000000, 0.0000444600000000 ] - [ 0.0009027100000000, 0.0000000000000000, -0.0004820200000000 ] - [ 0.0009424000000000, 0.0000000000000000, -0.0001626800000000 ] - [ 0.0029043000000000, 0.0025449400000000, 0.0030865300000000 ] - [ 0.0005383700000000, 0.0001100300000000, 0.0000444600000000 ] - [ -0.0009810500000000, -0.0013545600000000, 0.0009795000000000 ] - [ -0.0005976000000000, -0.0001802200000000, 0.0000126300000000 ] - [ -0.0010870600000000, 0.0000000000000000, -0.0003222600000000 ] - [ -0.0009140400000000, 0.0000000000000000, -0.0001441900000000 ] - [ -0.0009810500000000, 0.0013545600000000, 0.0009795000000000 ] - [ -0.0005976000000000, 0.0001802200000000, 0.0000126300000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005290600000000, -0.0007119100000000, -0.0031888500000000 ] - [ 0.0012969800000000, -0.0009282100000000, -0.0038484800000000 ] - [ 0.0002031500000000, 0.0000000000000000, -0.0023186600000000 ] - [ 0.0011838700000000, 0.0000000000000000, -0.0025553700000000 ] - [ -0.0005290600000000, 0.0007119100000000, -0.0031888500000000 ] - [ 0.0012969800000000, 0.0009282100000000, -0.0038484800000000 ] - [ 0.0005908200000000, -0.0111246600000000, -0.0232304900000000 ] - [ -0.0006624000000000, 0.0001546300000000, -0.0027101400000000 ] - [ -0.0005149300000000, 0.0000000000000000, -0.0018194800000000 ] - [ -0.0005617600000000, 0.0000000000000000, -0.0022237800000000 ] - [ 0.0005908200000000, 0.0111246600000000, -0.0232304900000000 ] - [ -0.0006624000000000, -0.0001546300000000, -0.0027101400000000 ] - [ -0.0081786300000000, 0.0000000000000000, -0.0193854200000000 ] - [ -0.0015089800000000, 0.0000000000000000, 0.0016286200000000 ] - [ -0.0007036000000000, -0.0007330000000000, -0.0003992100000000 ] - [ 0.0000079200000000, -0.0004234400000000, 0.0012617200000000 ] - [ -0.0007036000000000, 0.0007330000000000, -0.0003992100000000 ] - [ 0.0000079200000000, 0.0004234400000000, 0.0012617200000000 ] - [ 0.0012327100000000, 0.0000000000000000, -0.0016218400000000 ] - [ 0.0081689700000000, 0.0000000000000000, -0.0233082400000000 ] - [ 0.0000357400000000, -0.0004548200000000, -0.0017385800000000 ] - [ 0.0008022900000000, -0.0015059500000000, -0.0021816300000000 ] - [ 0.0000357400000000, 0.0004548200000000, -0.0017385800000000 ] - [ 0.0008022900000000, 0.0015059500000000, -0.0021816300000000 ] - [ 0.0003951300000000, 0.0000000000000000, -0.0000887600000000 ] - [ 0.0002953800000000, 0.0000000000000000, -0.0003914300000000 ] - [ 0.0004897100000000, -0.0006605700000000, -0.0005485800000000 ] - [ 0.0002236100000000, -0.0004832400000000, -0.0008501900000000 ] - [ 0.0004897100000000, 0.0006605700000000, -0.0005485800000000 ] - [ 0.0002236100000000, 0.0004832400000000, -0.0008501900000000 ] - [ -0.0007121100000000, 0.0000000000000000, 0.0013736300000000 ] - [ -0.0002901500000000, 0.0000000000000000, -0.0007747100000000 ] - [ -0.0007278000000000, -0.0011643800000000, 0.0001778000000000 ] - [ -0.0003469000000000, -0.0003282500000000, -0.0011268700000000 ] - [ -0.0007278000000000, 0.0011643800000000, 0.0001778000000000 ] - [ -0.0003469000000000, 0.0003282500000000, -0.0011268700000000 ] - [ -0.0007410000000000, 0.0012399700000000, 0.0039121600000000 ] - [ 0.0000420900000000, 0.0002295600000000, 0.0026150500000000 ] - [ -0.0004234100000000, 0.0000000000000000, 0.0031580600000000 ] - [ 0.0000414700000000, 0.0000000000000000, 0.0023263200000000 ] - [ -0.0007410000000000, -0.0012399700000000, 0.0039121600000000 ] - [ 0.0000420900000000, -0.0002295600000000, 0.0026150500000000 ] - [ -0.0001899600000000, 0.0002021900000000, -0.0002543600000000 ] - [ 0.0003182800000000, 0.0012365900000000, 0.0009886200000000 ] - [ -0.0001454600000000, 0.0000000000000000, -0.0005386400000000 ] - [ 0.0001862700000000, 0.0000000000000000, 0.0000711200000000 ] - [ -0.0001899600000000, -0.0002021900000000, -0.0002543600000000 ] - [ 0.0003182800000000, -0.0012365900000000, 0.0009886200000000 ] - [ 0.0039127000000000, -0.0000980500000000, 0.0042935000000000 ] - [ 0.0002551900000000, 0.0004593700000000, 0.0005470500000000 ] - [ 0.0005867300000000, 0.0000000000000000, 0.0006991600000000 ] - [ -0.0001394100000000, 0.0000000000000000, 0.0004630600000000 ] - [ 0.0039127000000000, 0.0000980500000000, 0.0042935000000000 ] - [ 0.0002551900000000, -0.0004593700000000, 0.0005470500000000 ] - [ 0.0030343800000000, 0.0000000000000000, 0.0764521700000000 ] - [ -0.0002203000000000, 0.0000000000000000, 0.0007447100000000 ] - [ -0.0003601300000000, -0.0029212000000000, 0.0038654200000000 ] - [ -0.0003214500000000, 0.0000789600000000, 0.0002777900000000 ] - [ -0.0003601300000000, 0.0029212000000000, 0.0038654200000000 ] - [ -0.0003214500000000, -0.0000789600000000, 0.0002777900000000 ] - [ -0.0001189500000000, 0.0003904300000000, 0.0013244700000000 ] - [ -0.0012931700000000, 0.0036415400000000, 0.0066624300000000 ] - [ 0.0001043800000000, 0.0000000000000000, 0.0011204900000000 ] - [ -0.0006375200000000, 0.0000000000000000, 0.0013994600000000 ] - [ -0.0001189500000000, -0.0003904300000000, 0.0013244700000000 ] - [ -0.0012931700000000, -0.0036415400000000, 0.0066624300000000 ] - [ -0.0047503200000000, 0.0000000000000000, 0.0049927300000000 ] - [ 0.0054318700000000, 0.0000000000000000, 0.0056603700000000 ] - [ 0.0006175300000000, 0.0000200100000000, 0.0004223500000000 ] - [ 0.0002112000000000, 0.0003307400000000, 0.0002124300000000 ] - [ 0.0006175300000000, -0.0000200100000000, 0.0004223500000000 ] - [ 0.0002112000000000, -0.0003307400000000, 0.0002124300000000 ] - [ 0.0002902600000000, 0.0000000000000000, -0.0017193600000000 ] - [ -0.0000178300000000, 0.0000000000000000, -0.0004405400000000 ] - [ -0.0001060600000000, 0.0000127100000000, -0.0011543400000000 ] - [ 0.0000323600000000, -0.0000174900000000, -0.0003158000000000 ] - [ -0.0001060600000000, -0.0000127100000000, -0.0011543400000000 ] - [ 0.0000323600000000, 0.0000174900000000, -0.0003158000000000 ] - [ -0.0004219200000000, -0.0002465900000000, -0.0019075600000000 ] - [ -0.0004629200000000, 0.0000215500000000, -0.0006741800000000 ] - [ -0.0005897500000000, 0.0000000000000000, -0.0011566800000000 ] - [ -0.0004069500000000, 0.0000000000000000, -0.0004356400000000 ] - [ -0.0004219200000000, 0.0002465900000000, -0.0019075600000000 ] - [ -0.0004629200000000, -0.0000215500000000, -0.0006741800000000 ] - [ 0.0000446000000000, 0.0000000000000000, 0.0001713600000000 ] - [ 0.0000368200000000, 0.0000000000000000, -0.0008811400000000 ] - [ -0.0000310000000000, 0.0000114800000000, 0.0003043100000000 ] - [ 0.0001158200000000, -0.0001448800000000, -0.0003644600000000 ] - [ -0.0000310000000000, -0.0000114800000000, 0.0003043100000000 ] - [ 0.0001158200000000, 0.0001448800000000, -0.0003644600000000 ] - [ 0.0007903200000000, -0.0000249500000000, -0.0010302900000000 ] - [ 0.0002596200000000, -0.0000078500000000, -0.0008930100000000 ] - [ 0.0007464800000000, 0.0000000000000000, -0.0007160200000000 ] - [ 0.0002430700000000, 0.0000000000000000, -0.0005549800000000 ] - [ 0.0007903200000000, 0.0000249500000000, -0.0010302900000000 ] - [ 0.0002596200000000, 0.0000078500000000, -0.0008930100000000 ] - [ -0.0000793000000000, 0.0000000000000000, 0.0032762300000000 ] - [ -0.0047300300000000, 0.0000000000000000, -0.0031887800000000 ] - [ 0.0001115300000000, -0.0000018800000000, 0.0025946700000000 ] - [ -0.0011061200000000, -0.0009397900000000, 0.0016614800000000 ] - [ 0.0001115300000000, 0.0000018800000000, 0.0025946700000000 ] - [ -0.0011061200000000, 0.0009397900000000, 0.0016614800000000 ] - [ 0.0018980300000000, 0.0000000000000000, -0.0060892400000000 ] - [ 0.0004369100000000, 0.0000000000000000, -0.0003951900000000 ] - [ 0.0015168700000000, -0.0011405900000000, -0.0015647900000000 ] - [ 0.0008142000000000, 0.0000310200000000, -0.0002181700000000 ] - [ 0.0015168700000000, 0.0011405900000000, -0.0015647900000000 ] - [ 0.0008142000000000, -0.0000310200000000, -0.0002181700000000 ] - [ -0.0017768700000000, 0.0000000000000000, -0.0001181800000000 ] - [ 0.0005523800000000, 0.0000000000000000, 0.0001329700000000 ] - [ -0.0011809100000000, -0.0000812000000000, -0.0001903800000000 ] - [ -0.0006080200000000, -0.0000452500000000, -0.0000485700000000 ] - [ -0.0011809100000000, 0.0000812000000000, -0.0001903800000000 ] - [ -0.0006080200000000, 0.0000452500000000, -0.0000485700000000 ] - [ -0.0006971100000000, 0.0000226100000000, 0.0021557400000000 ] - [ 0.0002484300000000, 0.0010238100000000, 0.0014815300000000 ] - [ -0.0000060700000000, 0.0000000000000000, 0.0023589500000000 ] - [ 0.0000354600000000, 0.0000000000000000, 0.0024338100000000 ] - [ -0.0006971100000000, -0.0000226100000000, 0.0021557400000000 ] - [ 0.0002484300000000, -0.0010238100000000, 0.0014815300000000 ] - [ -0.0010622200000000, 0.0025691400000000, -0.0033759800000000 ] - [ 0.0013279100000000, 0.0001102600000000, -0.0003115000000000 ] - [ 0.0009616100000000, 0.0000000000000000, 0.0002169500000000 ] - [ 0.0009227800000000, 0.0000000000000000, -0.0001048500000000 ] - [ -0.0010622200000000, -0.0025691400000000, -0.0033759800000000 ] - [ 0.0013279100000000, -0.0001102600000000, -0.0003115000000000 ] - [ -0.0008876600000000, 0.0013547900000000, -0.0012445900000000 ] - [ -0.0012694900000000, 0.0001806700000000, -0.0002804700000000 ] - [ -0.0007777800000000, 0.0000000000000000, 0.0000556700000000 ] - [ -0.0009516800000000, 0.0000000000000000, -0.0001231100000000 ] - [ -0.0008876600000000, -0.0013547900000000, -0.0012445900000000 ] - [ -0.0012694900000000, -0.0001806700000000, -0.0002804700000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0265196400000000, 0.0000000000000000, 0.0106477600000000 ] - [ -0.0025266000000000, 0.0000000000000000, -0.0008698900000000 ] - [ 0.0022703500000000, -0.0035192600000000, -0.0035567400000000 ] - [ -0.0006797300000000, 0.0003208200000000, -0.0014015200000000 ] - [ 0.0022703500000000, 0.0035192600000000, -0.0035567400000000 ] - [ -0.0006797300000000, -0.0003208200000000, -0.0014015200000000 ] - [ -0.0034783500000000, 0.0000000000000000, -0.0025607900000000 ] - [ 0.0239657000000000, 0.0000000000000000, -0.0128611900000000 ] - [ -0.0016108100000000, -0.0003250500000000, -0.0020300900000000 ] - [ 0.0013089200000000, 0.0035029900000000, 0.0001276300000000 ] - [ -0.0016108100000000, 0.0003250500000000, -0.0020300900000000 ] - [ 0.0013089200000000, -0.0035029900000000, 0.0001276300000000 ] - [ -0.0038520800000000, 0.0017819900000000, 0.0039651600000000 ] - [ -0.0038407000000000, -0.0017692300000000, -0.0003901700000000 ] - [ -0.0038520800000000, -0.0017819900000000, 0.0039651600000000 ] - [ -0.0038407000000000, 0.0017692300000000, -0.0003901700000000 ] - [ -0.0002613300000000, 0.0000000000000000, 0.0022736200000000 ] - [ -0.0002652300000000, 0.0000000000000000, 0.0012884200000000 ] - [ 0.0143753400000000, 0.0000298600000000, -0.0010171800000000 ] - [ -0.0014754300000000, -0.0000027500000000, -0.0010897800000000 ] - [ 0.0143753400000000, -0.0000298600000000, -0.0010171800000000 ] - [ -0.0014754300000000, 0.0000027500000000, -0.0010897800000000 ] - [ 0.0013641100000000, 0.0000000000000000, -0.0010920300000000 ] - [ -0.0008321100000000, 0.0000000000000000, -0.0010883000000000 ] - [ 0.0014185200000000, 0.0001420200000000, -0.0016227100000000 ] - [ -0.0003029100000000, -0.0001349500000000, -0.0018084400000000 ] - [ 0.0014185200000000, -0.0001420200000000, -0.0016227100000000 ] - [ -0.0003029100000000, 0.0001349500000000, -0.0018084400000000 ] - [ 0.0012133600000000, 0.0000000000000000, -0.0016779400000000 ] - [ -0.0002105000000000, 0.0000000000000000, -0.0017550100000000 ] - [ -0.0012339400000000, 0.0001346000000000, -0.0016275500000000 ] - [ 0.0004652500000000, -0.0001406000000000, -0.0018188900000000 ] - [ -0.0012339400000000, -0.0001346000000000, -0.0016275500000000 ] - [ 0.0004652500000000, 0.0001406000000000, -0.0018188900000000 ] - [ -0.0011368500000000, 0.0000000000000000, -0.0016844400000000 ] - [ 0.0002531500000000, 0.0000000000000000, -0.0017584300000000 ] - [ -0.0004759500000000, 0.0000000000000000, 0.0013119200000000 ] - [ -0.0004737500000000, 0.0000000000000000, 0.0022311000000000 ] - [ -0.0004112400000000, -0.0005155000000000, 0.0012868800000000 ] - [ -0.0004144700000000, 0.0005091700000000, 0.0022575200000000 ] - [ -0.0004112400000000, 0.0005155000000000, 0.0012868800000000 ] - [ -0.0004144700000000, -0.0005091700000000, 0.0022575200000000 ] - [ 0.0010705500000000, 0.0000000000000000, -0.0010956600000000 ] - [ -0.0007425000000000, 0.0000000000000000, -0.0010951400000000 ] - [ 0.0010340000000000, -0.0000002300000000, -0.0010982000000000 ] - [ -0.0007534900000000, 0.0000018500000000, -0.0010913900000000 ] - [ 0.0010340000000000, 0.0000002300000000, -0.0010982000000000 ] - [ -0.0007534900000000, -0.0000018500000000, -0.0010913900000000 ] - [ 0.0067900300000000, 0.0000000000000000, -0.0034374800000000 ] - [ 0.0067417300000000, 0.0000000000000000, 0.0035489300000000 ] - [ 0.0010378100000000, 0.0012419500000000, 0.0004044000000000 ] - [ 0.0010371200000000, -0.0012351100000000, -0.0002565500000000 ] - [ 0.0010378100000000, -0.0012419500000000, 0.0004044000000000 ] - [ 0.0010371200000000, 0.0012351100000000, -0.0002565500000000 ] - [ 0.0011947300000000, -0.0004687500000000, 0.0000243600000000 ] - [ 0.0072277200000000, 0.0151818300000000, 0.0011453300000000 ] - [ 0.0011947300000000, 0.0004687500000000, 0.0000243600000000 ] - [ 0.0072277200000000, -0.0151818300000000, 0.0011453300000000 ] - [ 0.0002933500000000, 0.0000000000000000, -0.0002000800000000 ] - [ -0.0010291900000000, 0.0000000000000000, 0.0005378500000000 ] - [ -0.1084945800000000, 0.0000000000000000, -0.0005364200000000 ] - [ 0.0012863000000000, 0.0000000000000000, 0.0007338700000000 ] - [ -0.0022512500000000, -0.0000246900000000, 0.0007073800000000 ] - [ 0.0007698100000000, 0.0000009100000000, 0.0007356600000000 ] - [ -0.0022512500000000, 0.0000246900000000, 0.0007073800000000 ] - [ 0.0007698100000000, -0.0000009100000000, 0.0007356600000000 ] - [ 0.0080346600000000, -0.0153869100000000, -0.0013733000000000 ] - [ 0.0019557600000000, 0.0004656600000000, -0.0002209600000000 ] - [ 0.0080346600000000, 0.0153869100000000, -0.0013733000000000 ] - [ 0.0019557600000000, -0.0004656600000000, -0.0002209600000000 ] - [ -0.0002746400000000, 0.0000000000000000, -0.0007387300000000 ] - [ 0.0010610900000000, 0.0000000000000000, 0.0000028000000000 ] - [ 0.0001441000000000, -0.0000903100000000, 0.0003373200000000 ] - [ 0.0001470200000000, 0.0000896900000000, -0.0001826700000000 ] - [ 0.0001441000000000, 0.0000903100000000, 0.0003373200000000 ] - [ 0.0001470200000000, -0.0000896900000000, -0.0001826700000000 ] - [ 0.0000296600000000, 0.0000000000000000, 0.0003071800000000 ] - [ 0.0000362800000000, 0.0000000000000000, -0.0001521900000000 ] - [ 0.0001840200000000, 0.0000000000000000, -0.0001390200000000 ] - [ -0.0010324700000000, 0.0000000000000000, -0.0001268800000000 ] - [ 0.0001759600000000, 0.0000611100000000, -0.0000645700000000 ] - [ -0.0008877900000000, -0.0001617800000000, -0.0002081000000000 ] - [ 0.0001759600000000, -0.0000611100000000, -0.0000645700000000 ] - [ -0.0008877900000000, 0.0001617800000000, -0.0002081000000000 ] - [ -0.0006507900000000, 0.0000008100000000, 0.0007385400000000 ] - [ 0.0005317200000000, 0.0000005200000000, 0.0007377500000000 ] - [ -0.0006507900000000, -0.0000008100000000, 0.0007385400000000 ] - [ 0.0005317200000000, -0.0000005200000000, 0.0007377500000000 ] - [ -0.0006260300000000, 0.0000000000000000, 0.0007415600000000 ] - [ 0.0004915700000000, 0.0000000000000000, 0.0007376900000000 ] - [ -0.0002776200000000, 0.0000000000000000, -0.0000576900000000 ] - [ 0.0009500400000000, 0.0000000000000000, -0.0000510400000000 ] - [ -0.0001333900000000, 0.0001653700000000, 0.0000237200000000 ] - [ 0.0009435300000000, -0.0000620100000000, -0.0001262700000000 ] - [ -0.0001333900000000, -0.0001653700000000, 0.0000237200000000 ] - [ 0.0009435300000000, 0.0000620100000000, -0.0001262700000000 ] - [ -0.0030676700000000, 0.0000083800000000, 0.0023779900000000 ] - [ 0.0006040400000000, -0.0000001000000000, 0.0023974100000000 ] - [ -0.0030676700000000, -0.0000083800000000, 0.0023779900000000 ] - [ 0.0006040400000000, 0.0000001000000000, 0.0023974100000000 ] - [ -0.0008939900000000, 0.0000000000000000, 0.0023983700000000 ] - [ 0.0004155200000000, 0.0000000000000000, 0.0023973300000000 ] - [ 0.0001697600000000, -0.0001995300000000, -0.0000036100000000 ] - [ 0.0022455300000000, 0.0017812700000000, -0.0023869100000000 ] - [ 0.0001697600000000, 0.0001995300000000, -0.0000036100000000 ] - [ 0.0022455300000000, -0.0017812700000000, -0.0023869100000000 ] - [ 0.0005866200000000, 0.0000000000000000, -0.0001279900000000 ] - [ 0.0014147500000000, 0.0000000000000000, -0.0004821000000000 ] - [ 0.0003907200000000, -0.0018056400000000, 0.0021397900000000 ] - [ -0.0016920500000000, 0.0001979800000000, -0.0002617600000000 ] - [ 0.0003907200000000, 0.0018056400000000, 0.0021397900000000 ] - [ -0.0016920500000000, -0.0001979800000000, -0.0002617600000000 ] - [ -0.0004497500000000, 0.0000000000000000, 0.0002151800000000 ] - [ -0.0012791300000000, 0.0000000000000000, -0.0001400400000000 ] - [ -0.0013906100000000, 0.0000000000000000, 0.0024179800000000 ] - [ 0.0010089500000000, 0.0000000000000000, 0.0023986800000000 ] - [ -0.0001826500000000, -0.0000142200000000, 0.0024145100000000 ] - [ 0.0004591900000000, -0.0000004400000000, 0.0023991400000000 ] - [ -0.0001826500000000, 0.0000142200000000, 0.0024145100000000 ] - [ 0.0004591900000000, 0.0000004400000000, 0.0023991400000000 ] - [ 0.0004158800000000, 0.0000000000000000, -0.0009609300000000 ] - [ 0.0019707900000000, 0.0000000000000000, 0.0006658400000000 ] - [ 0.0006805400000000, 0.0002316900000000, -0.0004523000000000 ] - [ 0.0012884800000000, -0.0002361300000000, 0.0001994100000000 ] - [ 0.0006805400000000, -0.0002316900000000, -0.0004523000000000 ] - [ 0.0012884800000000, 0.0002361300000000, 0.0001994100000000 ] - [ 0.0001143200000000, 0.0000000000000000, -0.0009353400000000 ] - [ -0.0014507200000000, 0.0000000000000000, 0.0006851500000000 ] - [ -0.0005728100000000, 0.0002369600000000, -0.0004697100000000 ] - [ -0.0011851300000000, -0.0002306000000000, 0.0001812100000000 ] - [ -0.0005728100000000, -0.0002369600000000, -0.0004697100000000 ] - [ -0.0011851300000000, 0.0002306000000000, 0.0001812100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004999500000000, 0.0168284000000000, -0.0017359900000000 ] - [ 0.0004520300000000, 0.0010168200000000, -0.0017194400000000 ] - [ -0.0013388900000000, -0.0045206000000000, -0.0043098000000000 ] - [ 0.0009754300000000, -0.0005121000000000, -0.0018743500000000 ] - [ 0.0022558300000000, -0.0045215000000000, 0.0008501900000000 ] - [ -0.0000416100000000, -0.0005165100000000, -0.0015607600000000 ] - [ -0.0004520300000000, 0.0010168200000000, -0.0017194400000000 ] - [ -0.0004999500000000, 0.0168284000000000, -0.0017359900000000 ] - [ -0.0009754300000000, -0.0005121000000000, -0.0018743500000000 ] - [ 0.0013388900000000, -0.0045206000000000, -0.0043098000000000 ] - [ 0.0000416100000000, -0.0005165100000000, -0.0015607600000000 ] - [ -0.0022558300000000, -0.0045215000000000, 0.0008501900000000 ] - [ 0.0039462100000000, 0.0010740100000000, 0.0005390900000000 ] - [ -0.0039462100000000, 0.0010740100000000, 0.0005390900000000 ] - [ -0.0039594100000000, 0.0011026500000000, 0.0029975600000000 ] - [ 0.0039594100000000, 0.0011026500000000, 0.0029975600000000 ] - [ -0.0000025500000000, -0.0018406200000000, 0.0017687900000000 ] - [ 0.0000025500000000, -0.0018406200000000, 0.0017687900000000 ] - [ 0.0000000000000000, 0.0369175700000000, 0.0223538400000000 ] - [ 0.0000000000000000, 0.0003603500000000, -0.0011646700000000 ] - [ 0.0000000000000000, 0.0392670400000000, -0.0261970800000000 ] - [ 0.0000000000000000, 0.0003561200000000, -0.0010131500000000 ] - [ 0.0000000000000000, -0.0072468300000000, -0.0010938000000000 ] - [ 0.0000000000000000, -0.0007083900000000, -0.0010961500000000 ] - [ 0.0008387600000000, 0.0010109900000000, -0.0019028000000000 ] - [ 0.0004134300000000, 0.0003795900000000, -0.0018063300000000 ] - [ 0.0000778900000000, 0.0010294600000000, -0.0015138700000000 ] - [ 0.0005149600000000, 0.0003777700000000, -0.0016229000000000 ] - [ 0.0004472100000000, -0.0022941700000000, -0.0017071000000000 ] - [ 0.0004688300000000, -0.0007550000000000, -0.0017066000000000 ] - [ -0.0004134300000000, 0.0003795900000000, -0.0018063300000000 ] - [ -0.0008387600000000, 0.0010109900000000, -0.0019028000000000 ] - [ -0.0005149600000000, 0.0003777700000000, -0.0016229000000000 ] - [ -0.0000778900000000, 0.0010294600000000, -0.0015138700000000 ] - [ -0.0004688300000000, -0.0007550000000000, -0.0017066000000000 ] - [ -0.0004472100000000, -0.0022941700000000, -0.0017071000000000 ] - [ 0.0000085900000000, 0.0008950900000000, 0.0017791700000000 ] - [ -0.0000085900000000, 0.0008950900000000, 0.0017791700000000 ] - [ -0.0001997000000000, -0.0004665400000000, 0.0016934200000000 ] - [ 0.0001997000000000, -0.0004665400000000, 0.0016934200000000 ] - [ 0.0002005900000000, -0.0004761000000000, 0.0018598100000000 ] - [ -0.0002005900000000, -0.0004761000000000, 0.0018598100000000 ] - [ 0.0000000000000000, 0.0027077300000000, -0.0010829400000000 ] - [ 0.0000000000000000, 0.0005341600000000, -0.0010820200000000 ] - [ 0.0000000000000000, -0.0016303100000000, -0.0012743400000000 ] - [ 0.0000000000000000, -0.0002626700000000, -0.0011202500000000 ] - [ 0.0000000000000000, -0.0016545000000000, -0.0008715400000000 ] - [ 0.0000000000000000, -0.0002581100000000, -0.0010653800000000 ] - [ -0.0000263300000000, -0.0021336800000000, 0.0000916800000000 ] - [ 0.0000263300000000, -0.0021336800000000, 0.0000916800000000 ] - [ 0.0013663600000000, 0.0012715500000000, -0.0000598800000000 ] - [ -0.0013663600000000, 0.0012715500000000, -0.0000598800000000 ] - [ -0.0013590300000000, 0.0012740800000000, 0.0001981300000000 ] - [ 0.0013590300000000, 0.0012740800000000, 0.0001981300000000 ] - [ -0.0010035300000000, -0.0002695800000000, -0.0004814000000000 ] - [ 0.0147310100000000, 0.0073389900000000, -0.0037375500000000 ] - [ 0.0002391900000000, -0.0002762500000000, 0.0003017900000000 ] - [ -0.0156858700000000, 0.0073475900000000, 0.0036028100000000 ] - [ -0.0003812400000000, 0.0006133200000000, -0.0000898100000000 ] - [ -0.0003890300000000, 0.0026540000000000, -0.0000886100000000 ] - [ 0.0000000000000000, -0.1484762500000000, 0.0023328400000000 ] - [ 0.0000000000000000, -0.0004805200000000, 0.0007444700000000 ] - [ 0.0000000000000000, 0.0090024300000000, 0.0057249200000000 ] - [ 0.0000000000000000, 0.0002372600000000, 0.0006361700000000 ] - [ 0.0000000000000000, 0.0089476500000000, -0.0041757100000000 ] - [ 0.0000000000000000, 0.0002422800000000, 0.0008509800000000 ] - [ -0.0147310100000000, 0.0073389900000000, -0.0037375500000000 ] - [ 0.0010035300000000, -0.0002695800000000, -0.0004814000000000 ] - [ 0.0156858700000000, 0.0073475900000000, 0.0036028100000000 ] - [ -0.0002391900000000, -0.0002762500000000, 0.0003017900000000 ] - [ 0.0003890300000000, 0.0026540000000000, -0.0000886100000000 ] - [ 0.0003812400000000, 0.0006133200000000, -0.0000898100000000 ] - [ -0.0001287600000000, -0.0001850300000000, 0.0000489800000000 ] - [ 0.0001287600000000, -0.0001850300000000, 0.0000489800000000 ] - [ 0.0001304600000000, -0.0001890700000000, 0.0000812400000000 ] - [ -0.0001304600000000, -0.0001890700000000, 0.0000812400000000 ] - [ 0.0000027000000000, 0.0003672800000000, 0.0000639800000000 ] - [ -0.0000027000000000, 0.0003672800000000, 0.0000639800000000 ] - [ -0.0003832000000000, -0.0002832700000000, -0.0000940700000000 ] - [ -0.0003832000000000, -0.0005623600000000, -0.0000958600000000 ] - [ -0.0003305000000000, 0.0001326800000000, -0.0000830400000000 ] - [ -0.0008608700000000, 0.0003197100000000, -0.0002444500000000 ] - [ -0.0004364700000000, 0.0001368100000000, -0.0001054100000000 ] - [ 0.0000909000000000, 0.0003276100000000, 0.0000467500000000 ] - [ 0.0000000000000000, -0.0007537500000000, 0.0003542400000000 ] - [ 0.0000000000000000, -0.0001227100000000, 0.0007571900000000 ] - [ 0.0000000000000000, -0.0007610200000000, 0.0011201000000000 ] - [ 0.0000000000000000, -0.0001278700000000, 0.0007266300000000 ] - [ 0.0000000000000000, 0.0024720600000000, 0.0007270800000000 ] - [ 0.0000000000000000, 0.0002444500000000, 0.0007420400000000 ] - [ 0.0003832000000000, -0.0005623600000000, -0.0000958600000000 ] - [ 0.0003832000000000, -0.0002832700000000, -0.0000940700000000 ] - [ 0.0008608700000000, 0.0003197100000000, -0.0002444500000000 ] - [ 0.0003305000000000, 0.0001326800000000, -0.0000830400000000 ] - [ -0.0000909000000000, 0.0003276100000000, 0.0000467500000000 ] - [ 0.0004364700000000, 0.0001368100000000, -0.0001054100000000 ] - [ 0.0000000000000000, 0.0015627200000000, -0.0027587800000000 ] - [ 0.0000000000000000, -0.0000997400000000, 0.0025486400000000 ] - [ 0.0000000000000000, 0.0015303700000000, 0.0075319800000000 ] - [ 0.0000000000000000, -0.0001024600000000, 0.0022344300000000 ] - [ 0.0000000000000000, 0.0016733600000000, 0.0023925700000000 ] - [ 0.0000000000000000, 0.0002484300000000, 0.0023902700000000 ] - [ 0.0008467900000000, -0.0001502100000000, -0.0001738300000000 ] - [ 0.0005474300000000, -0.0003221800000000, -0.0005222000000000 ] - [ 0.0010197900000000, -0.0001530900000000, -0.0000976700000000 ] - [ 0.0013192700000000, -0.0003400200000000, 0.0002436200000000 ] - [ 0.0009325200000000, 0.0001546900000000, -0.0001337300000000 ] - [ 0.0009323800000000, 0.0006161800000000, -0.0001327800000000 ] - [ -0.0005474300000000, -0.0003221800000000, -0.0005222000000000 ] - [ -0.0008467900000000, -0.0001502100000000, -0.0001738300000000 ] - [ -0.0013192700000000, -0.0003400200000000, 0.0002436200000000 ] - [ -0.0010197900000000, -0.0001530900000000, -0.0000976700000000 ] - [ -0.0009323800000000, 0.0006161800000000, -0.0001327800000000 ] - [ -0.0009325200000000, 0.0001546900000000, -0.0001337300000000 ] - [ 0.0000000000000000, -0.0034610400000000, 0.0024011500000000 ] - [ 0.0000000000000000, -0.0001890400000000, 0.0023896600000000 ] - [ 0.0000000000000000, 0.0044338800000000, -0.0022764800000000 ] - [ 0.0000000000000000, 0.0000770900000000, 0.0021730700000000 ] - [ 0.0000000000000000, 0.0043860000000000, 0.0069970300000000 ] - [ 0.0000000000000000, 0.0000795800000000, 0.0026048000000000 ] - [ 0.0009329000000000, -0.0005136300000000, -0.0001323900000000 ] - [ 0.0009346700000000, -0.0005723800000000, -0.0001307900000000 ] - [ 0.0011274700000000, 0.0002440200000000, -0.0002630100000000 ] - [ 0.0014195900000000, 0.0003100700000000, -0.0004782800000000 ] - [ 0.0007398200000000, 0.0002457200000000, -0.0000036700000000 ] - [ 0.0004536600000000, 0.0003121600000000, 0.0002104500000000 ] - [ -0.0009346700000000, -0.0005723800000000, -0.0001307900000000 ] - [ -0.0009329000000000, -0.0005136300000000, -0.0001323900000000 ] - [ -0.0014195900000000, 0.0003100700000000, -0.0004782800000000 ] - [ -0.0011274700000000, 0.0002440200000000, -0.0002630100000000 ] - [ -0.0004536600000000, 0.0003121600000000, 0.0002104500000000 ] - [ -0.0007398200000000, 0.0002457200000000, -0.0000036700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0113310500000000, 0.0000000000000000, 0.0218621800000000 ] - [ 0.0014885000000000, 0.0000000000000000, -0.0012723700000000 ] - [ 0.0010933900000000, -0.0010423800000000, 0.0005962700000000 ] - [ 0.0002844800000000, -0.0004709400000000, -0.0011397900000000 ] - [ 0.0010933900000000, 0.0010423800000000, 0.0005962700000000 ] - [ 0.0002844800000000, 0.0004709400000000, -0.0011397900000000 ] - [ -0.0014885000000000, 0.0000000000000000, -0.0012723700000000 ] - [ -0.0113310500000000, 0.0000000000000000, 0.0218621800000000 ] - [ -0.0002844800000000, -0.0004709400000000, -0.0011397900000000 ] - [ -0.0010933900000000, -0.0010423800000000, 0.0005962700000000 ] - [ -0.0002844800000000, 0.0004709400000000, -0.0011397900000000 ] - [ -0.0010933900000000, 0.0010423800000000, 0.0005962700000000 ] - [ 0.0009749400000000, 0.0008485200000000, 0.0031318000000000 ] - [ -0.0009749400000000, 0.0008485200000000, 0.0031318000000000 ] - [ 0.0009749400000000, -0.0008485200000000, 0.0031318000000000 ] - [ -0.0009749400000000, -0.0008485200000000, 0.0031318000000000 ] - [ 0.0004651800000000, 0.0000000000000000, 0.0022630600000000 ] - [ -0.0004651800000000, 0.0000000000000000, 0.0022630600000000 ] - [ 0.0000000000000000, 0.0165493500000000, 0.0267135900000000 ] - [ 0.0000000000000000, -0.0000436600000000, -0.0002431400000000 ] - [ 0.0000000000000000, -0.0165493500000000, 0.0267135900000000 ] - [ 0.0000000000000000, 0.0000436600000000, -0.0002431400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013206300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006264400000000 ] - [ 0.0017570200000000, -0.0011200500000000, -0.0036028700000000 ] - [ 0.0004663100000000, -0.0002027200000000, -0.0025049800000000 ] - [ 0.0017570200000000, 0.0011200500000000, -0.0036028700000000 ] - [ 0.0004663100000000, 0.0002027200000000, -0.0025049800000000 ] - [ 0.0013342800000000, 0.0000000000000000, -0.0029142500000000 ] - [ 0.0004727500000000, 0.0000000000000000, -0.0022273900000000 ] - [ -0.0004663100000000, -0.0002027200000000, -0.0025049800000000 ] - [ -0.0017570200000000, -0.0011200500000000, -0.0036028700000000 ] - [ -0.0004663100000000, 0.0002027200000000, -0.0025049800000000 ] - [ -0.0017570200000000, 0.0011200500000000, -0.0036028700000000 ] - [ -0.0004727500000000, 0.0000000000000000, -0.0022273900000000 ] - [ -0.0013342800000000, 0.0000000000000000, -0.0029142500000000 ] - [ 0.0001248500000000, 0.0000000000000000, 0.0004117700000000 ] - [ -0.0001248500000000, 0.0000000000000000, 0.0004117700000000 ] - [ -0.0000638300000000, -0.0005698200000000, 0.0007939000000000 ] - [ 0.0000638300000000, -0.0005698200000000, 0.0007939000000000 ] - [ -0.0000638300000000, 0.0005698200000000, 0.0007939000000000 ] - [ 0.0000638300000000, 0.0005698200000000, 0.0007939000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049604800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019362000000000 ] - [ 0.0000000000000000, -0.0016617400000000, -0.0034644600000000 ] - [ 0.0000000000000000, -0.0002687400000000, -0.0016521900000000 ] - [ 0.0000000000000000, 0.0016617400000000, -0.0034644600000000 ] - [ 0.0000000000000000, 0.0002687400000000, -0.0016521900000000 ] - [ 0.0046082800000000, 0.0000000000000000, -0.0045557400000000 ] - [ -0.0046082800000000, 0.0000000000000000, -0.0045557400000000 ] - [ -0.0002751700000000, 0.0001007400000000, -0.0002488000000000 ] - [ 0.0002751700000000, 0.0001007400000000, -0.0002488000000000 ] - [ -0.0002751700000000, -0.0001007400000000, -0.0002488000000000 ] - [ 0.0002751700000000, -0.0001007400000000, -0.0002488000000000 ] - [ -0.0003748400000000, -0.0003850100000000, -0.0006803100000000 ] - [ 0.0029325500000000, -0.0018933600000000, -0.0060167000000000 ] - [ -0.0003748400000000, 0.0003850100000000, -0.0006803100000000 ] - [ 0.0029325500000000, 0.0018933600000000, -0.0060167000000000 ] - [ -0.0005642100000000, 0.0000000000000000, -0.0004757300000000 ] - [ 0.0004904300000000, 0.0000000000000000, -0.0007556500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0882130400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000492900000000 ] - [ 0.0000000000000000, -0.0049399800000000, -0.0054532900000000 ] - [ 0.0000000000000000, 0.0001064000000000, 0.0004350400000000 ] - [ 0.0000000000000000, 0.0049399800000000, -0.0054532900000000 ] - [ 0.0000000000000000, -0.0001064000000000, 0.0004350400000000 ] - [ -0.0029325500000000, -0.0018933600000000, -0.0060167000000000 ] - [ 0.0003748400000000, -0.0003850100000000, -0.0006803100000000 ] - [ -0.0029325500000000, 0.0018933600000000, -0.0060167000000000 ] - [ 0.0003748400000000, 0.0003850100000000, -0.0006803100000000 ] - [ -0.0004904300000000, 0.0000000000000000, -0.0007556500000000 ] - [ 0.0005642100000000, 0.0000000000000000, -0.0004757300000000 ] - [ -0.0003087600000000, 0.0000184100000000, 0.0008531200000000 ] - [ 0.0003087600000000, 0.0000184100000000, 0.0008531200000000 ] - [ -0.0003087600000000, -0.0000184100000000, 0.0008531200000000 ] - [ 0.0003087600000000, -0.0000184100000000, 0.0008531200000000 ] - [ -0.0002956900000000, 0.0000000000000000, 0.0005687700000000 ] - [ 0.0002956900000000, 0.0000000000000000, 0.0005687700000000 ] - [ -0.0003213400000000, 0.0000000000000000, 0.0004748000000000 ] - [ 0.0000988800000000, 0.0000000000000000, 0.0015232600000000 ] - [ -0.0002837100000000, 0.0000165200000000, 0.0003415400000000 ] - [ -0.0004043100000000, -0.0000449400000000, 0.0010095600000000 ] - [ -0.0002837100000000, -0.0000165200000000, 0.0003415400000000 ] - [ -0.0004043100000000, 0.0000449400000000, 0.0010095600000000 ] - [ 0.0000000000000000, 0.0003794200000000, 0.0031322200000000 ] - [ 0.0000000000000000, -0.0000138400000000, 0.0012031400000000 ] - [ 0.0000000000000000, -0.0003794200000000, 0.0031322200000000 ] - [ 0.0000000000000000, 0.0000138400000000, 0.0012031400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010397200000000 ] - [ -0.0000988800000000, 0.0000000000000000, 0.0015232600000000 ] - [ 0.0003213400000000, 0.0000000000000000, 0.0004748000000000 ] - [ 0.0004043100000000, -0.0000449400000000, 0.0010095600000000 ] - [ 0.0002837100000000, 0.0000165200000000, 0.0003415400000000 ] - [ 0.0004043100000000, 0.0000449400000000, 0.0010095600000000 ] - [ 0.0002837100000000, -0.0000165200000000, 0.0003415400000000 ] - [ 0.0000000000000000, -0.0057599800000000, 0.0086635200000000 ] - [ 0.0000000000000000, -0.0001561400000000, 0.0020686800000000 ] - [ 0.0000000000000000, 0.0057599800000000, 0.0086635200000000 ] - [ 0.0000000000000000, 0.0001561400000000, 0.0020686800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015686500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023676600000000 ] - [ 0.0009550500000000, -0.0000204400000000, 0.0001327600000000 ] - [ 0.0012739700000000, -0.0011503500000000, 0.0008168500000000 ] - [ 0.0009550500000000, 0.0000204400000000, 0.0001327600000000 ] - [ 0.0012739700000000, 0.0011503500000000, 0.0008168500000000 ] - [ 0.0009246400000000, 0.0000000000000000, -0.0001063600000000 ] - [ 0.0010099200000000, 0.0000000000000000, -0.0002958500000000 ] - [ -0.0012739700000000, -0.0011503500000000, 0.0008168500000000 ] - [ -0.0009550500000000, -0.0000204400000000, 0.0001327600000000 ] - [ -0.0012739700000000, 0.0011503500000000, 0.0008168500000000 ] - [ -0.0009550500000000, 0.0000204400000000, 0.0001327600000000 ] - [ -0.0010099200000000, 0.0000000000000000, -0.0002958500000000 ] - [ -0.0009246400000000, 0.0000000000000000, -0.0001063600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0090547300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027327500000000 ] - [ 0.0000000000000000, -0.0015802000000000, 0.0043440200000000 ] - [ 0.0000000000000000, -0.0000265100000000, 0.0025468600000000 ] - [ 0.0000000000000000, 0.0015802000000000, 0.0043440200000000 ] - [ 0.0000000000000000, 0.0000265100000000, 0.0025468600000000 ] - [ 0.0009189800000000, 0.0000000000000000, -0.0003366000000000 ] - [ 0.0005080800000000, 0.0000000000000000, 0.0001997700000000 ] - [ 0.0008731100000000, 0.0000039700000000, -0.0002128900000000 ] - [ 0.0006523500000000, -0.0000554700000000, -0.0001246700000000 ] - [ 0.0008731100000000, -0.0000039700000000, -0.0002128900000000 ] - [ 0.0006523500000000, 0.0000554700000000, -0.0001246700000000 ] - [ -0.0005080800000000, 0.0000000000000000, 0.0001997700000000 ] - [ -0.0009189800000000, 0.0000000000000000, -0.0003366000000000 ] - [ -0.0006523500000000, -0.0000554700000000, -0.0001246700000000 ] - [ -0.0008731100000000, 0.0000039700000000, -0.0002128900000000 ] - [ -0.0006523500000000, 0.0000554700000000, -0.0001246700000000 ] - [ -0.0008731100000000, -0.0000039700000000, -0.0002128900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0096897400000000, 0.0000000000000000, -0.0248914500000000 ] - [ -0.0005708200000000, 0.0000000000000000, -0.0021647700000000 ] - [ -0.0001775600000000, 0.0010566800000000, -0.0040109700000000 ] - [ 0.0006424900000000, 0.0004698500000000, -0.0022880600000000 ] - [ -0.0001775600000000, -0.0010566800000000, -0.0040109700000000 ] - [ 0.0006424900000000, -0.0004698500000000, -0.0022880600000000 ] - [ 0.0005708200000000, 0.0000000000000000, -0.0021647700000000 ] - [ 0.0096897400000000, 0.0000000000000000, -0.0248914500000000 ] - [ -0.0006424900000000, 0.0004698500000000, -0.0022880600000000 ] - [ 0.0001775600000000, 0.0010566800000000, -0.0040109700000000 ] - [ -0.0006424900000000, -0.0004698500000000, -0.0022880600000000 ] - [ 0.0001775600000000, -0.0010566800000000, -0.0040109700000000 ] - [ -0.0009519900000000, -0.0008439900000000, 0.0004058800000000 ] - [ 0.0009519900000000, -0.0008439900000000, 0.0004058800000000 ] - [ -0.0009519900000000, 0.0008439900000000, 0.0004058800000000 ] - [ 0.0009519900000000, 0.0008439900000000, 0.0004058800000000 ] - [ -0.0004610700000000, 0.0000000000000000, 0.0012786000000000 ] - [ 0.0004610700000000, 0.0000000000000000, 0.0012786000000000 ] - [ 0.0000000000000000, -0.0174011200000000, -0.0292301300000000 ] - [ 0.0000000000000000, 0.0000563900000000, -0.0019295900000000 ] - [ 0.0000000000000000, 0.0174011200000000, -0.0292301300000000 ] - [ 0.0000000000000000, -0.0000563900000000, -0.0019295900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008592100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015578700000000 ] - [ -0.0008420200000000, 0.0011275300000000, 0.0001747300000000 ] - [ 0.0004607200000000, 0.0002121800000000, -0.0009318900000000 ] - [ -0.0008420200000000, -0.0011275300000000, 0.0001747300000000 ] - [ 0.0004607200000000, -0.0002121800000000, -0.0009318900000000 ] - [ -0.0004154800000000, 0.0000000000000000, -0.0005235300000000 ] - [ 0.0004616300000000, 0.0000000000000000, -0.0011963800000000 ] - [ -0.0004607200000000, 0.0002121800000000, -0.0009318900000000 ] - [ 0.0008420200000000, 0.0011275300000000, 0.0001747300000000 ] - [ -0.0004607200000000, -0.0002121800000000, -0.0009318900000000 ] - [ 0.0008420200000000, -0.0011275300000000, 0.0001747300000000 ] - [ -0.0004616300000000, 0.0000000000000000, -0.0011963800000000 ] - [ 0.0004154800000000, 0.0000000000000000, -0.0005235300000000 ] - [ -0.0001114600000000, 0.0000000000000000, 0.0031350000000000 ] - [ 0.0001114600000000, 0.0000000000000000, 0.0031350000000000 ] - [ 0.0000642900000000, 0.0005677000000000, 0.0027473200000000 ] - [ -0.0000642900000000, 0.0005677000000000, 0.0027473200000000 ] - [ 0.0000642900000000, -0.0005677000000000, 0.0027473200000000 ] - [ -0.0000642900000000, -0.0005677000000000, 0.0027473200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027851700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002307800000000 ] - [ 0.0000000000000000, 0.0016603300000000, 0.0012887500000000 ] - [ 0.0000000000000000, 0.0002585000000000, -0.0005369500000000 ] - [ 0.0000000000000000, -0.0016603300000000, 0.0012887500000000 ] - [ 0.0000000000000000, -0.0002585000000000, -0.0005369500000000 ] - [ -0.0045752200000000, 0.0000000000000000, 0.0046603100000000 ] - [ 0.0045752200000000, 0.0000000000000000, 0.0046603100000000 ] - [ 0.0002692700000000, -0.0001062600000000, 0.0003826200000000 ] - [ -0.0002692700000000, -0.0001062600000000, 0.0003826200000000 ] - [ 0.0002692700000000, 0.0001062600000000, 0.0003826200000000 ] - [ -0.0002692700000000, 0.0001062600000000, 0.0003826200000000 ] - [ -0.0003928300000000, 0.0003834200000000, 0.0004926300000000 ] - [ -0.0036236700000000, 0.0019699000000000, 0.0058243200000000 ] - [ -0.0003928300000000, -0.0003834200000000, 0.0004926300000000 ] - [ -0.0036236700000000, -0.0019699000000000, 0.0058243200000000 ] - [ -0.0002022900000000, 0.0000000000000000, 0.0002904100000000 ] - [ -0.0012565900000000, 0.0000000000000000, 0.0005707800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0895539900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014322600000000 ] - [ 0.0000000000000000, 0.0049606800000000, 0.0069746300000000 ] - [ 0.0000000000000000, -0.0001078200000000, 0.0010489200000000 ] - [ 0.0000000000000000, -0.0049606800000000, 0.0069746300000000 ] - [ 0.0000000000000000, 0.0001078200000000, 0.0010489200000000 ] - [ 0.0036236700000000, 0.0019699000000000, 0.0058243200000000 ] - [ 0.0003928300000000, 0.0003834200000000, 0.0004926300000000 ] - [ 0.0036236700000000, -0.0019699000000000, 0.0058243200000000 ] - [ 0.0003928300000000, -0.0003834200000000, 0.0004926300000000 ] - [ 0.0012565900000000, 0.0000000000000000, 0.0005707800000000 ] - [ 0.0002022900000000, 0.0000000000000000, 0.0002904100000000 ] - [ 0.0003113500000000, -0.0000182400000000, -0.0007165700000000 ] - [ -0.0003113500000000, -0.0000182400000000, -0.0007165700000000 ] - [ 0.0003113500000000, 0.0000182400000000, -0.0007165700000000 ] - [ -0.0003113500000000, 0.0000182400000000, -0.0007165700000000 ] - [ 0.0002927800000000, 0.0000000000000000, -0.0004311700000000 ] - [ -0.0002927800000000, 0.0000000000000000, -0.0004311700000000 ] - [ -0.0004419500000000, 0.0000000000000000, -0.0006590700000000 ] - [ -0.0008718700000000, 0.0000000000000000, -0.0017154700000000 ] - [ -0.0004811100000000, -0.0000173600000000, -0.0005258100000000 ] - [ -0.0003619200000000, 0.0000475800000000, -0.0011933000000000 ] - [ -0.0004811100000000, 0.0000173600000000, -0.0005258100000000 ] - [ -0.0003619200000000, -0.0000475800000000, -0.0011933000000000 ] - [ 0.0000000000000000, -0.0003863900000000, -0.0016527600000000 ] - [ 0.0000000000000000, 0.0000166000000000, 0.0002829700000000 ] - [ 0.0000000000000000, 0.0003863900000000, -0.0016527600000000 ] - [ 0.0000000000000000, -0.0000166000000000, 0.0002829700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008592000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004479500000000 ] - [ 0.0008718700000000, 0.0000000000000000, -0.0017154700000000 ] - [ 0.0004419500000000, 0.0000000000000000, -0.0006590700000000 ] - [ 0.0003619200000000, 0.0000475800000000, -0.0011933000000000 ] - [ 0.0004811100000000, -0.0000173600000000, -0.0005258100000000 ] - [ 0.0003619200000000, -0.0000475800000000, -0.0011933000000000 ] - [ 0.0004811100000000, 0.0000173600000000, -0.0005258100000000 ] - [ 0.0000000000000000, 0.0057026500000000, -0.0038325400000000 ] - [ 0.0000000000000000, 0.0001560200000000, 0.0027124200000000 ] - [ 0.0000000000000000, -0.0057026500000000, -0.0038325400000000 ] - [ 0.0000000000000000, -0.0001560200000000, 0.0027124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032077600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024132100000000 ] - [ 0.0009110100000000, 0.0000222300000000, -0.0004033400000000 ] - [ 0.0005900400000000, 0.0011494000000000, -0.0010845900000000 ] - [ 0.0009110100000000, -0.0000222300000000, -0.0004033400000000 ] - [ 0.0005900400000000, -0.0011494000000000, -0.0010845900000000 ] - [ 0.0009402900000000, 0.0000000000000000, -0.0001625200000000 ] - [ 0.0008561400000000, 0.0000000000000000, 0.0000254300000000 ] - [ -0.0005900400000000, 0.0011494000000000, -0.0010845900000000 ] - [ -0.0009110100000000, 0.0000222300000000, -0.0004033400000000 ] - [ -0.0005900400000000, -0.0011494000000000, -0.0010845900000000 ] - [ -0.0009110100000000, -0.0000222300000000, -0.0004033400000000 ] - [ -0.0008561400000000, 0.0000000000000000, 0.0000254300000000 ] - [ -0.0009402900000000, 0.0000000000000000, -0.0001625200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043659600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020466400000000 ] - [ 0.0000000000000000, 0.0015689900000000, 0.0004545800000000 ] - [ 0.0000000000000000, 0.0000256200000000, 0.0022357800000000 ] - [ 0.0000000000000000, -0.0015689900000000, 0.0004545800000000 ] - [ 0.0000000000000000, -0.0000256200000000, 0.0022357800000000 ] - [ 0.0009454000000000, 0.0000000000000000, 0.0000721600000000 ] - [ 0.0013609300000000, 0.0000000000000000, -0.0004674800000000 ] - [ 0.0009912700000000, -0.0000047900000000, -0.0000539800000000 ] - [ 0.0012115100000000, 0.0000555600000000, -0.0001409500000000 ] - [ 0.0009912700000000, 0.0000047900000000, -0.0000539800000000 ] - [ 0.0012115100000000, -0.0000555600000000, -0.0001409500000000 ] - [ -0.0013609300000000, 0.0000000000000000, -0.0004674800000000 ] - [ -0.0009454000000000, 0.0000000000000000, 0.0000721600000000 ] - [ -0.0012115100000000, 0.0000555600000000, -0.0001409500000000 ] - [ -0.0009912700000000, -0.0000047900000000, -0.0000539800000000 ] - [ -0.0012115100000000, -0.0000555600000000, -0.0001409500000000 ] - [ -0.0009912700000000, 0.0000047900000000, -0.0000539800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0050031700000000, -0.0003800800000000, -0.0010370500000000 ] - [ -0.0012223800000000, 0.0002102200000000, -0.0023583200000000 ] - [ 0.0011067500000000, 0.0000000000000000, -0.0022681800000000 ] - [ -0.0001191500000000, 0.0000000000000000, -0.0018178700000000 ] - [ 0.0050031700000000, 0.0003800800000000, -0.0010370500000000 ] - [ -0.0012223800000000, -0.0002102200000000, -0.0023583200000000 ] - [ -0.0021543100000000, -0.0002454500000000, -0.0010468900000000 ] - [ 0.0038852400000000, 0.0005373700000000, -0.0025071000000000 ] - [ -0.0010441200000000, 0.0000000000000000, -0.0016148400000000 ] - [ 0.0001527700000000, 0.0000000000000000, -0.0011746100000000 ] - [ -0.0021543100000000, 0.0002454500000000, -0.0010468900000000 ] - [ 0.0038852400000000, -0.0005373700000000, -0.0025071000000000 ] - [ -0.0010854700000000, 0.0000000000000000, 0.0030148200000000 ] - [ -0.0011095700000000, 0.0000000000000000, 0.0005505500000000 ] - [ -0.0004016200000000, -0.0005100400000000, 0.0022904500000000 ] - [ -0.0004112500000000, 0.0005063300000000, 0.0012678400000000 ] - [ -0.0004016200000000, 0.0005100400000000, 0.0022904500000000 ] - [ -0.0004112500000000, -0.0005063300000000, 0.0012678400000000 ] - [ 0.0027593800000000, 0.0000000000000000, -0.0011156900000000 ] - [ -0.0006259200000000, 0.0000000000000000, -0.0010842800000000 ] - [ 0.0013540200000000, 0.0000042500000000, -0.0010942400000000 ] - [ -0.0005358600000000, -0.0000005500000000, -0.0010887700000000 ] - [ 0.0013540200000000, -0.0000042500000000, -0.0010942400000000 ] - [ -0.0005358600000000, 0.0000005500000000, -0.0010887700000000 ] - [ 0.0011340100000000, 0.0000000000000000, -0.0021032500000000 ] - [ -0.0002906100000000, 0.0000000000000000, -0.0008941000000000 ] - [ 0.0009980800000000, -0.0000604000000000, -0.0018463600000000 ] - [ -0.0000423900000000, 0.0002244000000000, -0.0015277700000000 ] - [ 0.0009980800000000, 0.0000604000000000, -0.0018463600000000 ] - [ -0.0000423900000000, -0.0002244000000000, -0.0015277700000000 ] - [ -0.0012142900000000, 0.0000000000000000, -0.0025588900000000 ] - [ 0.0001771400000000, 0.0000000000000000, -0.0013191500000000 ] - [ -0.0009665100000000, -0.0002295900000000, -0.0019122500000000 ] - [ 0.0000468900000000, 0.0000611300000000, -0.0015775900000000 ] - [ -0.0009665100000000, 0.0002295900000000, -0.0019122500000000 ] - [ 0.0000468900000000, -0.0000611300000000, -0.0015775900000000 ] - [ 0.0007729600000000, -0.0018217900000000, 0.0000208200000000 ] - [ 0.0007393200000000, 0.0017991300000000, 0.0035131800000000 ] - [ -0.0000181700000000, 0.0000000000000000, 0.0015554100000000 ] - [ -0.0000309500000000, 0.0000000000000000, 0.0019989900000000 ] - [ 0.0007729600000000, 0.0018217900000000, 0.0000208200000000 ] - [ 0.0007393200000000, -0.0017991300000000, 0.0035131800000000 ] - [ 0.0021762800000000, 0.0000250600000000, -0.0010846900000000 ] - [ -0.0023550500000000, -0.0000172000000000, -0.0011026100000000 ] - [ 0.0005531000000000, 0.0000000000000000, -0.0010897600000000 ] - [ -0.0006313500000000, 0.0000000000000000, -0.0010893300000000 ] - [ 0.0021762800000000, -0.0000250600000000, -0.0010846900000000 ] - [ -0.0023550500000000, 0.0000172000000000, -0.0011026100000000 ] - [ 0.0019371300000000, 0.0002233300000000, -0.0008890800000000 ] - [ 0.0019533300000000, -0.0002207200000000, 0.0010273400000000 ] - [ 0.0000993200000000, 0.0000000000000000, 0.0001553000000000 ] - [ 0.0001097400000000, 0.0000000000000000, -0.0000046100000000 ] - [ 0.0019371300000000, -0.0002233300000000, -0.0008890800000000 ] - [ 0.0019533300000000, 0.0002207200000000, 0.0010273400000000 ] - [ 0.0008310100000000, 0.0000000000000000, -0.0000240100000000 ] - [ 0.0013311400000000, 0.0000000000000000, 0.0046611100000000 ] - [ -0.0000119100000000, 0.0001652900000000, -0.0002104900000000 ] - [ -0.0011520700000000, -0.0018696800000000, 0.0010093500000000 ] - [ -0.0000119100000000, -0.0001652900000000, -0.0002104900000000 ] - [ -0.0011520700000000, 0.0018696800000000, 0.0010093500000000 ] - [ -0.0030668200000000, -0.0000220200000000, 0.0007596200000000 ] - [ 0.0006056900000000, 0.0000036200000000, 0.0007334300000000 ] - [ -0.0008923800000000, 0.0000000000000000, 0.0007391800000000 ] - [ 0.0004167400000000, 0.0000000000000000, 0.0007381600000000 ] - [ -0.0030668200000000, 0.0000220200000000, 0.0007596200000000 ] - [ 0.0006056900000000, -0.0000036200000000, 0.0007334300000000 ] - [ 0.0020788200000000, 0.0000000000000000, -0.0048570900000000 ] - [ 0.0016038300000000, 0.0000000000000000, -0.0001884900000000 ] - [ -0.0004010100000000, 0.0018753500000000, -0.0012029000000000 ] - [ 0.0007571700000000, -0.0001576800000000, 0.0000105200000000 ] - [ -0.0004010100000000, -0.0018753500000000, -0.0012029000000000 ] - [ 0.0007571700000000, 0.0001576800000000, 0.0000105200000000 ] - [ -0.0002324500000000, 0.0000000000000000, 0.0009426000000000 ] - [ -0.0002174500000000, 0.0000000000000000, -0.0007842100000000 ] - [ -0.0000161900000000, 0.0004250400000000, 0.0004592000000000 ] - [ -0.0000088300000000, -0.0004194900000000, -0.0003068400000000 ] - [ -0.0000161900000000, -0.0004250400000000, 0.0004592000000000 ] - [ -0.0000088300000000, 0.0004194900000000, -0.0003068400000000 ] - [ 0.0003245100000000, 0.0005277700000000, 0.0006076300000000 ] - [ -0.0012599500000000, -0.0001996700000000, -0.0003457000000000 ] - [ -0.0000055300000000, 0.0000000000000000, -0.0000909100000000 ] - [ -0.0007194300000000, 0.0000000000000000, -0.0001329700000000 ] - [ 0.0003245100000000, -0.0005277700000000, 0.0006076300000000 ] - [ -0.0012599500000000, 0.0001996700000000, -0.0003457000000000 ] - [ -0.0013896800000000, 0.0000000000000000, 0.0007093600000000 ] - [ 0.0010097500000000, 0.0000000000000000, 0.0007457000000000 ] - [ -0.0001838700000000, -0.0000205700000000, 0.0007268700000000 ] - [ 0.0004581600000000, 0.0000037900000000, 0.0007399300000000 ] - [ -0.0001838700000000, 0.0000205700000000, 0.0007268700000000 ] - [ 0.0004581600000000, -0.0000037900000000, 0.0007399300000000 ] - [ -0.0005227100000000, 0.0001991000000000, 0.0001455400000000 ] - [ 0.0010986400000000, -0.0005167700000000, -0.0007869800000000 ] - [ 0.0000294300000000, 0.0000000000000000, -0.0000611500000000 ] - [ 0.0007654100000000, 0.0000000000000000, -0.0001037700000000 ] - [ -0.0005227100000000, -0.0001991000000000, 0.0001455400000000 ] - [ 0.0010986400000000, 0.0005167700000000, -0.0007869800000000 ] - [ -0.0547834700000000, 0.0000000000000000, 0.0025784300000000 ] - [ 0.0135231600000000, 0.0000000000000000, 0.0023849300000000 ] - [ -0.0015590000000000, -0.0000187700000000, 0.0023994100000000 ] - [ 0.0003163800000000, 0.0000030300000000, 0.0023988200000000 ] - [ -0.0015590000000000, 0.0000187700000000, 0.0023994100000000 ] - [ 0.0003163800000000, -0.0000030300000000, 0.0023988200000000 ] - [ 0.0015608700000000, 0.0000000000000000, 0.0068557400000000 ] - [ 0.0122947700000000, 0.0000000000000000, 0.0023599200000000 ] - [ 0.0005327500000000, 0.0003752000000000, -0.0001853700000000 ] - [ 0.0013466400000000, -0.0001992500000000, -0.0003701200000000 ] - [ 0.0005327500000000, -0.0003752000000000, -0.0001853700000000 ] - [ 0.0013466400000000, 0.0001992500000000, -0.0003701200000000 ] - [ 0.0106249400000000, 0.0000000000000000, -0.0026122300000000 ] - [ -0.0005219500000000, 0.0000000000000000, -0.0070644300000000 ] - [ -0.0005142800000000, 0.0001962200000000, 0.0001004300000000 ] - [ -0.0013321100000000, -0.0003696900000000, -0.0000830900000000 ] - [ -0.0005142800000000, -0.0001962200000000, 0.0001004300000000 ] - [ -0.0013321100000000, 0.0003696900000000, -0.0000830900000000 ] - [ -0.0002604300000000, -0.0000004000000000, 0.0023961000000000 ] - [ 0.0003166900000000, 0.0000006700000000, 0.0023990900000000 ] - [ -0.0001938400000000, 0.0000000000000000, 0.0023958700000000 ] - [ 0.0002631500000000, 0.0000000000000000, 0.0023985000000000 ] - [ -0.0002604300000000, 0.0000004000000000, 0.0023961000000000 ] - [ 0.0003166900000000, -0.0000006700000000, 0.0023990900000000 ] - [ 0.0007698300000000, 0.0000644300000000, -0.0002380400000000 ] - [ 0.0011327400000000, -0.0000540900000000, 0.0000081500000000 ] - [ 0.0008001700000000, 0.0000000000000000, -0.0002265000000000 ] - [ 0.0010982200000000, 0.0000000000000000, -0.0000391000000000 ] - [ 0.0007698300000000, -0.0000644300000000, -0.0002380400000000 ] - [ 0.0011327400000000, 0.0000540900000000, 0.0000081500000000 ] - [ -0.0007328000000000, 0.0000534800000000, -0.0002780500000000 ] - [ -0.0010964000000000, -0.0000637400000000, -0.0000294600000000 ] - [ -0.0007675000000000, 0.0000000000000000, -0.0002312900000000 ] - [ -0.0010660300000000, 0.0000000000000000, -0.0000417500000000 ] - [ -0.0007328000000000, -0.0000534800000000, -0.0002780500000000 ] - [ -0.0010964000000000, 0.0000637400000000, -0.0000294600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005343100000000, 0.0030042000000000, -0.0011030800000000 ] - [ 0.0010696200000000, 0.0001969500000000, -0.0019971700000000 ] - [ 0.0004528300000000, -0.0027259300000000, -0.0017101300000000 ] - [ 0.0004667100000000, -0.0007067000000000, -0.0017134000000000 ] - [ 0.0005224200000000, 0.0028710900000000, -0.0024321000000000 ] - [ -0.0001280700000000, 0.0001672200000000, -0.0014526800000000 ] - [ -0.0010696200000000, 0.0001969500000000, -0.0019971700000000 ] - [ -0.0005343100000000, 0.0030042000000000, -0.0011030800000000 ] - [ -0.0004667100000000, -0.0007067000000000, -0.0017134000000000 ] - [ -0.0004528300000000, -0.0027259300000000, -0.0017101300000000 ] - [ 0.0001280700000000, 0.0001672200000000, -0.0014526800000000 ] - [ -0.0005224200000000, 0.0028710900000000, -0.0024321000000000 ] - [ -0.0000052500000000, 0.0013360900000000, 0.0017719100000000 ] - [ 0.0000052500000000, 0.0013360900000000, 0.0017719100000000 ] - [ -0.0005860800000000, -0.0006628300000000, 0.0022526200000000 ] - [ 0.0005860800000000, -0.0006628300000000, 0.0022526200000000 ] - [ 0.0005811600000000, -0.0006625800000000, 0.0012926900000000 ] - [ -0.0005811600000000, -0.0006625800000000, 0.0012926900000000 ] - [ 0.0000000000000000, 0.0034750000000000, -0.0011046400000000 ] - [ 0.0000000000000000, 0.0003076100000000, -0.0010950100000000 ] - [ 0.0000000000000000, -0.0015884500000000, -0.0001219500000000 ] - [ 0.0000000000000000, -0.0001547800000000, -0.0009726300000000 ] - [ 0.0000000000000000, -0.0015977400000000, -0.0020558700000000 ] - [ 0.0000000000000000, -0.0001527700000000, -0.0012083400000000 ] - [ 0.0004640400000000, 0.0013990800000000, -0.0017121700000000 ] - [ 0.0004687500000000, 0.0002692400000000, -0.0017103800000000 ] - [ -0.0001986000000000, -0.0006468300000000, -0.0023533000000000 ] - [ 0.0005454500000000, -0.0001343400000000, -0.0017771600000000 ] - [ 0.0011097800000000, -0.0006501100000000, -0.0010838800000000 ] - [ 0.0003855600000000, -0.0001369600000000, -0.0016514000000000 ] - [ -0.0004687500000000, 0.0002692400000000, -0.0017103800000000 ] - [ -0.0004640400000000, 0.0013990800000000, -0.0017121700000000 ] - [ -0.0005454500000000, -0.0001343400000000, -0.0017771600000000 ] - [ 0.0001986000000000, -0.0006468300000000, -0.0023533000000000 ] - [ -0.0003855600000000, -0.0001369600000000, -0.0016514000000000 ] - [ -0.0011097800000000, -0.0006501100000000, -0.0010838800000000 ] - [ -0.0008600100000000, 0.0003699800000000, 0.0015935200000000 ] - [ 0.0008600100000000, 0.0003699800000000, 0.0015935200000000 ] - [ -0.0000017500000000, -0.0008295700000000, 0.0017712300000000 ] - [ 0.0000017500000000, -0.0008295700000000, 0.0017712300000000 ] - [ 0.0008555200000000, 0.0003541800000000, 0.0019601800000000 ] - [ -0.0008555200000000, 0.0003541800000000, 0.0019601800000000 ] - [ 0.0000000000000000, 0.0033295900000000, 0.0010247000000000 ] - [ 0.0000000000000000, 0.0002693700000000, -0.0012424000000000 ] - [ 0.0000000000000000, -0.0038873900000000, -0.0010918500000000 ] - [ 0.0000000000000000, -0.0004563200000000, -0.0010905800000000 ] - [ 0.0000000000000000, 0.0031742300000000, -0.0030024200000000 ] - [ 0.0000000000000000, 0.0002485400000000, -0.0009321100000000 ] - [ 0.0023426200000000, -0.0003377900000000, -0.0009074300000000 ] - [ -0.0023426200000000, -0.0003377900000000, -0.0009074300000000 ] - [ 0.0000048200000000, 0.0005203800000000, 0.0000670900000000 ] - [ -0.0000048200000000, 0.0005203800000000, 0.0000670900000000 ] - [ -0.0023130600000000, -0.0003285000000000, 0.0010423300000000 ] - [ 0.0023130600000000, -0.0003285000000000, 0.0010423300000000 ] - [ -0.0003783100000000, -0.0003530100000000, -0.0000871500000000 ] - [ -0.0003666600000000, -0.0028691700000000, -0.0000772700000000 ] - [ -0.0001940000000000, 0.0002639100000000, -0.0000930200000000 ] - [ -0.0004818200000000, 0.0025029100000000, -0.0010346800000000 ] - [ -0.0005674100000000, 0.0002702000000000, -0.0000886800000000 ] - [ -0.0002848200000000, 0.0024967000000000, 0.0008424400000000 ] - [ 0.0000000000000000, 0.0015416100000000, -0.0050019800000000 ] - [ 0.0000000000000000, -0.0001036500000000, 0.0005887500000000 ] - [ 0.0000000000000000, 0.0016733800000000, 0.0007386200000000 ] - [ 0.0000000000000000, 0.0002473900000000, 0.0007408800000000 ] - [ 0.0000000000000000, 0.0015514600000000, 0.0064606300000000 ] - [ 0.0000000000000000, -0.0000972700000000, 0.0009019900000000 ] - [ 0.0003666600000000, -0.0028691700000000, -0.0000772700000000 ] - [ 0.0003783100000000, -0.0003530100000000, -0.0000871500000000 ] - [ 0.0004818200000000, 0.0025029100000000, -0.0010346800000000 ] - [ 0.0001940000000000, 0.0002639100000000, -0.0000930200000000 ] - [ 0.0002848200000000, 0.0024967000000000, 0.0008424400000000 ] - [ 0.0005674100000000, 0.0002702000000000, -0.0000886800000000 ] - [ 0.0000022400000000, -0.0004963600000000, 0.0000638900000000 ] - [ -0.0000022400000000, -0.0004963600000000, 0.0000638900000000 ] - [ 0.0002264700000000, 0.0001681800000000, 0.0000713400000000 ] - [ -0.0002264700000000, 0.0001681800000000, 0.0000713400000000 ] - [ -0.0002237400000000, 0.0001711200000000, 0.0000643500000000 ] - [ 0.0002237400000000, 0.0001711200000000, 0.0000643500000000 ] - [ -0.0002594700000000, -0.0001557200000000, -0.0000718800000000 ] - [ -0.0020526500000000, -0.0003588500000000, 0.0009333800000000 ] - [ -0.0003812400000000, 0.0001888400000000, -0.0000917500000000 ] - [ -0.0003858100000000, 0.0007487200000000, -0.0000915000000000 ] - [ -0.0005025700000000, -0.0001519400000000, -0.0001165900000000 ] - [ 0.0012694200000000, -0.0003545200000000, -0.0011146100000000 ] - [ 0.0000000000000000, -0.0034607600000000, 0.0007267800000000 ] - [ 0.0000000000000000, -0.0001882300000000, 0.0007385800000000 ] - [ 0.0000000000000000, 0.0044182600000000, 0.0023203200000000 ] - [ 0.0000000000000000, 0.0000752200000000, 0.0007678400000000 ] - [ 0.0000000000000000, 0.0044010700000000, -0.0008290300000000 ] - [ 0.0000000000000000, 0.0000799900000000, 0.0007163600000000 ] - [ 0.0020526500000000, -0.0003588500000000, 0.0009333800000000 ] - [ 0.0002594700000000, -0.0001557200000000, -0.0000718800000000 ] - [ 0.0003858100000000, 0.0007487200000000, -0.0000915000000000 ] - [ 0.0003812400000000, 0.0001888400000000, -0.0000917500000000 ] - [ -0.0012694200000000, -0.0003545200000000, -0.0011146100000000 ] - [ 0.0005025700000000, -0.0001519400000000, -0.0001165900000000 ] - [ 0.0000000000000000, -0.0354216600000000, 0.0024536400000000 ] - [ 0.0000000000000000, 0.0021949700000000, 0.0024436300000000 ] - [ 0.0000000000000000, 0.0082781000000000, 0.0022701900000000 ] - [ 0.0000000000000000, 0.0000804300000000, 0.0021878900000000 ] - [ 0.0000000000000000, 0.0082019500000000, 0.0025088000000000 ] - [ 0.0000000000000000, 0.0000854900000000, 0.0025900100000000 ] - [ 0.0009511000000000, -0.0038021500000000, -0.0001660400000000 ] - [ 0.0009513600000000, 0.0002085600000000, -0.0001389500000000 ] - [ 0.0010290800000000, 0.0001150100000000, -0.0000081700000000 ] - [ 0.0013501200000000, 0.0001477900000000, 0.0000142400000000 ] - [ 0.0008357600000000, 0.0001176800000000, -0.0002602200000000 ] - [ 0.0005197100000000, 0.0001512500000000, -0.0002811000000000 ] - [ -0.0009513600000000, 0.0002085600000000, -0.0001389500000000 ] - [ -0.0009511000000000, -0.0038021500000000, -0.0001660400000000 ] - [ -0.0013501200000000, 0.0001477900000000, 0.0000142400000000 ] - [ -0.0010290800000000, 0.0001150100000000, -0.0000081700000000 ] - [ -0.0005197100000000, 0.0001512500000000, -0.0002811000000000 ] - [ -0.0008357600000000, 0.0001176800000000, -0.0002602200000000 ] - [ 0.0000000000000000, -0.0002359900000000, 0.0023918300000000 ] - [ 0.0000000000000000, -0.0000407300000000, 0.0023474200000000 ] - [ 0.0000000000000000, 0.0005126500000000, 0.0023913300000000 ] - [ 0.0000000000000000, 0.0000722700000000, 0.0023907200000000 ] - [ 0.0000000000000000, -0.0002343700000000, 0.0023913900000000 ] - [ 0.0000000000000000, -0.0000388100000000, 0.0024332700000000 ] - [ 0.0009365400000000, -0.0000658800000000, -0.0001949900000000 ] - [ 0.0009492200000000, -0.0001095000000000, -0.0001356900000000 ] - [ 0.0009323500000000, 0.0001519200000000, -0.0001344400000000 ] - [ 0.0009321100000000, 0.0002418100000000, -0.0001339000000000 ] - [ 0.0009277600000000, -0.0000647000000000, -0.0000733200000000 ] - [ 0.0009156500000000, -0.0001088600000000, -0.0001313200000000 ] - [ -0.0009492200000000, -0.0001095000000000, -0.0001356900000000 ] - [ -0.0009365400000000, -0.0000658800000000, -0.0001949900000000 ] - [ -0.0009321100000000, 0.0002418100000000, -0.0001339000000000 ] - [ -0.0009323500000000, 0.0001519200000000, -0.0001344400000000 ] - [ -0.0009156500000000, -0.0001088600000000, -0.0001313200000000 ] - [ -0.0009277600000000, -0.0000647000000000, -0.0000733200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012193400000000, 0.0015478300000000, 0.0002783700000000 ] - [ -0.0009100100000000, -0.0011296200000000, -0.0003752800000000 ] - [ 0.0005349100000000, 0.0000000000000000, -0.0007552000000000 ] - [ 0.0001806900000000, 0.0000000000000000, -0.0014966500000000 ] - [ 0.0012193400000000, -0.0015478300000000, 0.0002783700000000 ] - [ -0.0009100100000000, 0.0011296200000000, -0.0003752800000000 ] - [ 0.0009100100000000, -0.0011296200000000, -0.0003752800000000 ] - [ -0.0012193400000000, 0.0015478300000000, 0.0002783700000000 ] - [ -0.0001806900000000, 0.0000000000000000, -0.0014966500000000 ] - [ -0.0005349100000000, 0.0000000000000000, -0.0007552000000000 ] - [ 0.0009100100000000, 0.0011296200000000, -0.0003752800000000 ] - [ -0.0012193400000000, -0.0015478300000000, 0.0002783700000000 ] - [ 0.0020209600000000, 0.0000000000000000, 0.0009761500000000 ] - [ -0.0020209600000000, 0.0000000000000000, 0.0009761500000000 ] - [ 0.0007318800000000, 0.0003686500000000, 0.0013080900000000 ] - [ -0.0007318800000000, 0.0003686500000000, 0.0013080900000000 ] - [ 0.0007318800000000, -0.0003686500000000, 0.0013080900000000 ] - [ -0.0007318800000000, -0.0003686500000000, 0.0013080900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0069015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005863400000000 ] - [ 0.0000000000000000, 0.0015850700000000, -0.0021412300000000 ] - [ 0.0000000000000000, -0.0001232700000000, -0.0010116400000000 ] - [ 0.0000000000000000, -0.0015850700000000, -0.0021412300000000 ] - [ 0.0000000000000000, 0.0001232700000000, -0.0010116400000000 ] - [ -0.0008752300000000, 0.0000000000000000, -0.0034169400000000 ] - [ 0.0005506600000000, 0.0000000000000000, -0.0021717500000000 ] - [ -0.0002386300000000, -0.0003687100000000, -0.0027482400000000 ] - [ 0.0004613100000000, -0.0000736800000000, -0.0019906700000000 ] - [ -0.0002386300000000, 0.0003687100000000, -0.0027482400000000 ] - [ 0.0004613100000000, 0.0000736800000000, -0.0019906700000000 ] - [ -0.0005506600000000, 0.0000000000000000, -0.0021717500000000 ] - [ 0.0008752300000000, 0.0000000000000000, -0.0034169400000000 ] - [ -0.0004613100000000, -0.0000736800000000, -0.0019906700000000 ] - [ 0.0002386300000000, -0.0003687100000000, -0.0027482400000000 ] - [ -0.0004613100000000, 0.0000736800000000, -0.0019906700000000 ] - [ 0.0002386300000000, 0.0003687100000000, -0.0027482400000000 ] - [ -0.0004731400000000, -0.0007247000000000, 0.0015946900000000 ] - [ 0.0004731400000000, -0.0007247000000000, 0.0015946900000000 ] - [ -0.0000624900000000, 0.0000000000000000, 0.0020260900000000 ] - [ 0.0000624900000000, 0.0000000000000000, 0.0020260900000000 ] - [ -0.0004731400000000, 0.0007247000000000, 0.0015946900000000 ] - [ 0.0004731400000000, 0.0007247000000000, 0.0015946900000000 ] - [ 0.0000000000000000, -0.0004809100000000, 0.0060482000000000 ] - [ 0.0000000000000000, -0.0004975300000000, -0.0015986300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001459400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011474000000000 ] - [ 0.0000000000000000, 0.0004809100000000, 0.0060482000000000 ] - [ 0.0000000000000000, 0.0004975300000000, -0.0015986300000000 ] - [ -0.0023716800000000, -0.0001546300000000, 0.0004707200000000 ] - [ 0.0023716800000000, -0.0001546300000000, 0.0004707200000000 ] - [ -0.0003838200000000, 0.0000000000000000, -0.0000326500000000 ] - [ 0.0003838200000000, 0.0000000000000000, -0.0000326500000000 ] - [ -0.0023716800000000, 0.0001546300000000, 0.0004707200000000 ] - [ 0.0023716800000000, 0.0001546300000000, 0.0004707200000000 ] - [ -0.0013514300000000, 0.0000000000000000, -0.0009707300000000 ] - [ 0.0048693200000000, 0.0000000000000000, 0.0054795100000000 ] - [ -0.0006858600000000, 0.0001117400000000, -0.0002887000000000 ] - [ -0.0001274900000000, -0.0018634300000000, 0.0006425400000000 ] - [ -0.0006858600000000, -0.0001117400000000, -0.0002887000000000 ] - [ -0.0001274900000000, 0.0018634300000000, 0.0006425400000000 ] - [ 0.0000000000000000, -0.0051116800000000, 0.0069594200000000 ] - [ 0.0000000000000000, 0.0001562900000000, 0.0004207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007184100000000 ] - [ 0.0000000000000000, 0.0051116800000000, 0.0069594200000000 ] - [ 0.0000000000000000, -0.0001562900000000, 0.0004207000000000 ] - [ -0.0048693200000000, 0.0000000000000000, 0.0054795100000000 ] - [ 0.0013514300000000, 0.0000000000000000, -0.0009707300000000 ] - [ 0.0001274900000000, -0.0018634300000000, 0.0006425400000000 ] - [ 0.0006858600000000, 0.0001117400000000, -0.0002887000000000 ] - [ 0.0001274900000000, 0.0018634300000000, 0.0006425400000000 ] - [ 0.0006858600000000, -0.0001117400000000, -0.0002887000000000 ] - [ 0.0003898600000000, 0.0000000000000000, 0.0001590200000000 ] - [ -0.0003898600000000, 0.0000000000000000, 0.0001590200000000 ] - [ 0.0002220800000000, 0.0002237100000000, 0.0001016600000000 ] - [ -0.0002220800000000, 0.0002237100000000, 0.0001016600000000 ] - [ 0.0002220800000000, -0.0002237100000000, 0.0001016600000000 ] - [ -0.0002220800000000, -0.0002237100000000, 0.0001016600000000 ] - [ -0.0002879000000000, 0.0000820000000000, 0.0001492500000000 ] - [ -0.0021406200000000, 0.0002677400000000, 0.0008274900000000 ] - [ -0.0004036400000000, 0.0000000000000000, -0.0000547200000000 ] - [ -0.0008390600000000, 0.0000000000000000, -0.0001289000000000 ] - [ -0.0002879000000000, -0.0000820000000000, 0.0001492500000000 ] - [ -0.0021406200000000, -0.0002677400000000, 0.0008274900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0075019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010827900000000 ] - [ 0.0000000000000000, 0.0046646200000000, 0.0026933900000000 ] - [ 0.0000000000000000, 0.0002152900000000, 0.0008971500000000 ] - [ 0.0000000000000000, -0.0046646200000000, 0.0026933900000000 ] - [ 0.0000000000000000, -0.0002152900000000, 0.0008971500000000 ] - [ 0.0021406200000000, 0.0002677400000000, 0.0008274900000000 ] - [ 0.0002879000000000, 0.0000820000000000, 0.0001492500000000 ] - [ 0.0008390600000000, 0.0000000000000000, -0.0001289000000000 ] - [ 0.0004036400000000, 0.0000000000000000, -0.0000547200000000 ] - [ 0.0021406200000000, -0.0002677400000000, 0.0008274900000000 ] - [ 0.0002879000000000, -0.0000820000000000, 0.0001492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0480663300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026111200000000 ] - [ 0.0000000000000000, 0.0001075600000000, 0.0007821800000000 ] - [ 0.0000000000000000, 0.0002004700000000, 0.0024014400000000 ] - [ 0.0000000000000000, -0.0001075600000000, 0.0007821800000000 ] - [ 0.0000000000000000, -0.0002004700000000, 0.0024014400000000 ] - [ -0.0027937300000000, 0.0000000000000000, 0.0007149600000000 ] - [ -0.0045904200000000, 0.0000000000000000, 0.0012654500000000 ] - [ 0.0010419400000000, 0.0001436900000000, -0.0002667500000000 ] - [ 0.0010167700000000, -0.0001835200000000, -0.0005875600000000 ] - [ 0.0010419400000000, -0.0001436900000000, -0.0002667500000000 ] - [ 0.0010167700000000, 0.0001835200000000, -0.0005875600000000 ] - [ 0.0045904200000000, 0.0000000000000000, 0.0012654500000000 ] - [ 0.0027937300000000, 0.0000000000000000, 0.0007149600000000 ] - [ -0.0010167700000000, -0.0001835200000000, -0.0005875600000000 ] - [ -0.0010419400000000, 0.0001436900000000, -0.0002667500000000 ] - [ -0.0010167700000000, 0.0001835200000000, -0.0005875600000000 ] - [ -0.0010419400000000, -0.0001436900000000, -0.0002667500000000 ] - [ 0.0000000000000000, 0.0000006000000000, 0.0034233000000000 ] - [ 0.0000000000000000, 0.0000422400000000, 0.0024463300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031297000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024211700000000 ] - [ 0.0000000000000000, -0.0000006000000000, 0.0034233000000000 ] - [ 0.0000000000000000, -0.0000422400000000, 0.0024463300000000 ] - [ 0.0008894500000000, -0.0000601000000000, 0.0001354900000000 ] - [ 0.0009634900000000, -0.0000236500000000, 0.0002844700000000 ] - [ 0.0008921700000000, 0.0000000000000000, 0.0000381700000000 ] - [ 0.0009196200000000, 0.0000000000000000, 0.0001693600000000 ] - [ 0.0008894500000000, 0.0000601000000000, 0.0001354900000000 ] - [ 0.0009634900000000, 0.0000236500000000, 0.0002844700000000 ] - [ -0.0009634900000000, -0.0000236500000000, 0.0002844700000000 ] - [ -0.0008894500000000, -0.0000601000000000, 0.0001354900000000 ] - [ -0.0009196200000000, 0.0000000000000000, 0.0001693600000000 ] - [ -0.0008921700000000, 0.0000000000000000, 0.0000381700000000 ] - [ -0.0009634900000000, 0.0000236500000000, 0.0002844700000000 ] - [ -0.0008894500000000, 0.0000601000000000, 0.0001354900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002129000000000, -0.0014728800000000, -0.0037464900000000 ] - [ 0.0018336100000000, 0.0011388500000000, -0.0030595900000000 ] - [ 0.0003920500000000, 0.0000000000000000, -0.0026801400000000 ] - [ 0.0007473500000000, 0.0000000000000000, -0.0019335600000000 ] - [ -0.0002129000000000, 0.0014728800000000, -0.0037464900000000 ] - [ 0.0018336100000000, -0.0011388500000000, -0.0030595900000000 ] - [ -0.0018336100000000, 0.0011388500000000, -0.0030595900000000 ] - [ 0.0002129000000000, -0.0014728800000000, -0.0037464900000000 ] - [ -0.0007473500000000, 0.0000000000000000, -0.0019335600000000 ] - [ -0.0003920500000000, 0.0000000000000000, -0.0026801400000000 ] - [ -0.0018336100000000, -0.0011388500000000, -0.0030595900000000 ] - [ 0.0002129000000000, 0.0014728800000000, -0.0037464900000000 ] - [ -0.0020326400000000, 0.0000000000000000, 0.0025630900000000 ] - [ 0.0020326400000000, 0.0000000000000000, 0.0025630900000000 ] - [ -0.0007287700000000, -0.0003686800000000, 0.0022316700000000 ] - [ 0.0007287700000000, -0.0003686800000000, 0.0022316700000000 ] - [ -0.0007287700000000, 0.0003686800000000, 0.0022316700000000 ] - [ 0.0007287700000000, 0.0003686800000000, 0.0022316700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015929300000000 ] - [ 0.0000000000000000, -0.0015818900000000, -0.0000480000000000 ] - [ 0.0000000000000000, 0.0001166200000000, -0.0011675400000000 ] - [ 0.0000000000000000, 0.0015818900000000, -0.0000480000000000 ] - [ 0.0000000000000000, -0.0001166200000000, -0.0011675400000000 ] - [ 0.0017895900000000, 0.0000000000000000, -0.0000172900000000 ] - [ 0.0003839000000000, 0.0000000000000000, -0.0012555300000000 ] - [ 0.0011454400000000, 0.0003669200000000, -0.0006897900000000 ] - [ 0.0004655400000000, 0.0000728400000000, -0.0014392000000000 ] - [ 0.0011454400000000, -0.0003669200000000, -0.0006897900000000 ] - [ 0.0004655400000000, -0.0000728400000000, -0.0014392000000000 ] - [ -0.0003839000000000, 0.0000000000000000, -0.0012555300000000 ] - [ -0.0017895900000000, 0.0000000000000000, -0.0000172900000000 ] - [ -0.0004655400000000, 0.0000728400000000, -0.0014392000000000 ] - [ -0.0011454400000000, 0.0003669200000000, -0.0006897900000000 ] - [ -0.0004655400000000, -0.0000728400000000, -0.0014392000000000 ] - [ -0.0011454400000000, -0.0003669200000000, -0.0006897900000000 ] - [ 0.0004719700000000, 0.0007247600000000, 0.0019556000000000 ] - [ -0.0004719700000000, 0.0007247600000000, 0.0019556000000000 ] - [ 0.0000627600000000, 0.0000000000000000, 0.0015209400000000 ] - [ -0.0000627600000000, 0.0000000000000000, 0.0015209400000000 ] - [ 0.0004719700000000, -0.0007247600000000, 0.0019556000000000 ] - [ -0.0004719700000000, -0.0007247600000000, 0.0019556000000000 ] - [ 0.0000000000000000, 0.0007040400000000, -0.0079264500000000 ] - [ 0.0000000000000000, 0.0005045900000000, -0.0005804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022895900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010316400000000 ] - [ 0.0000000000000000, -0.0007040400000000, -0.0079264500000000 ] - [ 0.0000000000000000, -0.0005045900000000, -0.0005804400000000 ] - [ 0.0023704800000000, 0.0001509600000000, -0.0003300400000000 ] - [ -0.0023704800000000, 0.0001509600000000, -0.0003300400000000 ] - [ 0.0003833000000000, 0.0000000000000000, 0.0001707800000000 ] - [ -0.0003833000000000, 0.0000000000000000, 0.0001707800000000 ] - [ 0.0023704800000000, -0.0001509600000000, -0.0003300400000000 ] - [ -0.0023704800000000, -0.0001509600000000, -0.0003300400000000 ] - [ 0.0005896800000000, 0.0000000000000000, 0.0007885700000000 ] - [ -0.0057002700000000, 0.0000000000000000, -0.0057282400000000 ] - [ -0.0000782100000000, -0.0001132800000000, 0.0001050900000000 ] - [ -0.0006376400000000, 0.0018608100000000, -0.0008264800000000 ] - [ -0.0000782100000000, 0.0001132800000000, 0.0001050900000000 ] - [ -0.0006376400000000, -0.0018608100000000, -0.0008264800000000 ] - [ 0.0000000000000000, 0.0051792900000000, -0.0055366500000000 ] - [ 0.0000000000000000, -0.0001576800000000, 0.0010644500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015642900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007649000000000 ] - [ 0.0000000000000000, -0.0051792900000000, -0.0055366500000000 ] - [ 0.0000000000000000, 0.0001576800000000, 0.0010644500000000 ] - [ 0.0057002700000000, 0.0000000000000000, -0.0057282400000000 ] - [ -0.0005896800000000, 0.0000000000000000, 0.0007885700000000 ] - [ 0.0006376400000000, 0.0018608100000000, -0.0008264800000000 ] - [ 0.0000782100000000, -0.0001132800000000, 0.0001050900000000 ] - [ 0.0006376400000000, -0.0018608100000000, -0.0008264800000000 ] - [ 0.0000782100000000, 0.0001132800000000, 0.0001050900000000 ] - [ -0.0003831900000000, 0.0000000000000000, -0.0000260700000000 ] - [ 0.0003831900000000, 0.0000000000000000, -0.0000260700000000 ] - [ -0.0002198800000000, -0.0002233100000000, 0.0000337800000000 ] - [ 0.0002198800000000, -0.0002233100000000, 0.0000337800000000 ] - [ -0.0002198800000000, 0.0002233100000000, 0.0000337800000000 ] - [ 0.0002198800000000, 0.0002233100000000, 0.0000337800000000 ] - [ -0.0004750100000000, -0.0000827900000000, -0.0003352400000000 ] - [ 0.0013581900000000, -0.0002687000000000, -0.0010104900000000 ] - [ -0.0003606100000000, 0.0000000000000000, -0.0001312100000000 ] - [ 0.0000700200000000, 0.0000000000000000, -0.0000597500000000 ] - [ -0.0004750100000000, 0.0000827900000000, -0.0003352400000000 ] - [ 0.0013581900000000, 0.0002687000000000, -0.0010104900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059197100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003984300000000 ] - [ 0.0000000000000000, -0.0046095100000000, -0.0011958500000000 ] - [ 0.0000000000000000, -0.0002159800000000, 0.0005871300000000 ] - [ 0.0000000000000000, 0.0046095100000000, -0.0011958500000000 ] - [ 0.0000000000000000, 0.0002159800000000, 0.0005871300000000 ] - [ -0.0013581900000000, -0.0002687000000000, -0.0010104900000000 ] - [ 0.0004750100000000, -0.0000827900000000, -0.0003352400000000 ] - [ -0.0000700200000000, 0.0000000000000000, -0.0000597500000000 ] - [ 0.0003606100000000, 0.0000000000000000, -0.0001312100000000 ] - [ -0.0013581900000000, 0.0002687000000000, -0.0010104900000000 ] - [ 0.0004750100000000, 0.0000827900000000, -0.0003352400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0526193500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074286300000000 ] - [ 0.0000000000000000, -0.0001309800000000, 0.0039956400000000 ] - [ 0.0000000000000000, -0.0002010500000000, 0.0023804900000000 ] - [ 0.0000000000000000, 0.0001309800000000, 0.0039956400000000 ] - [ 0.0000000000000000, 0.0002010500000000, 0.0023804900000000 ] - [ 0.0046799400000000, 0.0000000000000000, -0.0010300100000000 ] - [ 0.0065190200000000, 0.0000000000000000, -0.0015513800000000 ] - [ 0.0008233700000000, -0.0001444200000000, -0.0000026800000000 ] - [ 0.0008472900000000, 0.0001830200000000, 0.0003180600000000 ] - [ 0.0008233700000000, 0.0001444200000000, -0.0000026800000000 ] - [ 0.0008472900000000, -0.0001830200000000, 0.0003180600000000 ] - [ -0.0065190200000000, 0.0000000000000000, -0.0015513800000000 ] - [ -0.0046799400000000, 0.0000000000000000, -0.0010300100000000 ] - [ -0.0008472900000000, 0.0001830200000000, 0.0003180600000000 ] - [ -0.0008233700000000, -0.0001444200000000, -0.0000026800000000 ] - [ -0.0008472900000000, -0.0001830200000000, 0.0003180600000000 ] - [ -0.0008233700000000, 0.0001444200000000, -0.0000026800000000 ] - [ 0.0000000000000000, 0.0000010500000000, 0.0013623800000000 ] - [ 0.0000000000000000, -0.0000430000000000, 0.0023349900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016551300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023610400000000 ] - [ 0.0000000000000000, -0.0000010500000000, 0.0013623800000000 ] - [ 0.0000000000000000, 0.0000430000000000, 0.0023349900000000 ] - [ 0.0009753700000000, 0.0000601600000000, -0.0004028100000000 ] - [ 0.0009021800000000, 0.0000243400000000, -0.0005503800000000 ] - [ 0.0009729100000000, 0.0000000000000000, -0.0003056700000000 ] - [ 0.0009454500000000, 0.0000000000000000, -0.0004358400000000 ] - [ 0.0009753700000000, -0.0000601600000000, -0.0004028100000000 ] - [ 0.0009021800000000, -0.0000243400000000, -0.0005503800000000 ] - [ -0.0009021800000000, 0.0000243400000000, -0.0005503800000000 ] - [ -0.0009753700000000, 0.0000601600000000, -0.0004028100000000 ] - [ -0.0009454500000000, 0.0000000000000000, -0.0004358400000000 ] - [ -0.0009729100000000, 0.0000000000000000, -0.0003056700000000 ] - [ -0.0009021800000000, -0.0000243400000000, -0.0005503800000000 ] - [ -0.0009753700000000, -0.0000601600000000, -0.0004028100000000 ]- atom: 103 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031265500000000, -0.0015757100000000, -0.0002256500000000 ] - [ 0.0009229700000000, 0.0025023100000000, -0.0033422900000000 ] - [ 0.0010287700000000, 0.0000000000000000, -0.0015308000000000 ] - [ 0.0003197600000000, 0.0000000000000000, -0.0018061600000000 ] - [ 0.0031265500000000, 0.0015757100000000, -0.0002256500000000 ] - [ 0.0009229700000000, -0.0025023100000000, -0.0033422900000000 ] - [ -0.0015454900000000, 0.0008792200000000, -0.0037768200000000 ] - [ 0.0001419100000000, 0.0007777900000000, -0.0024307800000000 ] - [ -0.0012930300000000, 0.0000000000000000, -0.0019862900000000 ] - [ -0.0001020800000000, 0.0000000000000000, -0.0017516900000000 ] - [ -0.0015454900000000, -0.0008792200000000, -0.0037768200000000 ] - [ 0.0001419100000000, -0.0007777900000000, -0.0024307800000000 ] - [ -0.0001708200000000, 0.0000000000000000, 0.0032211600000000 ] - [ 0.0004019100000000, 0.0000000000000000, 0.0012328300000000 ] - [ 0.0001575600000000, -0.0003318300000000, 0.0022425900000000 ] - [ 0.0001285600000000, 0.0002133300000000, 0.0015734900000000 ] - [ 0.0001575600000000, 0.0003318300000000, 0.0022425900000000 ] - [ 0.0001285600000000, -0.0002133300000000, 0.0015734900000000 ] - [ 0.0008124300000000, 0.0000000000000000, -0.0011762500000000 ] - [ -0.0011577600000000, 0.0000000000000000, -0.0019222600000000 ] - [ 0.0004191600000000, -0.0000049200000000, -0.0010248700000000 ] - [ -0.0006699200000000, 0.0001318400000000, -0.0010953400000000 ] - [ 0.0004191600000000, 0.0000049200000000, -0.0010248700000000 ] - [ -0.0006699200000000, -0.0001318400000000, -0.0010953400000000 ] - [ 0.0009377700000000, 0.0000000000000000, -0.0019843200000000 ] - [ 0.0001421400000000, 0.0000000000000000, -0.0012331800000000 ] - [ 0.0007929600000000, 0.0001044000000000, -0.0017165900000000 ] - [ 0.0002731900000000, 0.0001304000000000, -0.0015169800000000 ] - [ 0.0007929600000000, -0.0001044000000000, -0.0017165900000000 ] - [ 0.0002731900000000, -0.0001304000000000, -0.0015169800000000 ] - [ -0.0009891600000000, 0.0000000000000000, -0.0024729000000000 ] - [ -0.0000761300000000, 0.0000000000000000, -0.0012424700000000 ] - [ -0.0008525700000000, -0.0003092300000000, -0.0017757800000000 ] - [ -0.0001990400000000, 0.0001535300000000, -0.0015669300000000 ] - [ -0.0008525700000000, 0.0003092300000000, -0.0017757800000000 ] - [ -0.0001990400000000, -0.0001535300000000, -0.0015669300000000 ] - [ 0.0023106400000000, -0.0050232100000000, -0.0035067700000000 ] - [ 0.0000341500000000, 0.0007826700000000, 0.0024647200000000 ] - [ -0.0002250200000000, 0.0000000000000000, 0.0011664000000000 ] - [ 0.0000650700000000, 0.0000000000000000, 0.0018981600000000 ] - [ 0.0023106400000000, 0.0050232100000000, -0.0035067700000000 ] - [ 0.0000341500000000, -0.0007826700000000, 0.0024647200000000 ] - [ 0.0013823800000000, 0.0004169100000000, -0.0008796500000000 ] - [ -0.0027229800000000, 0.0009624700000000, -0.0001512800000000 ] - [ 0.0005043400000000, 0.0000000000000000, -0.0012234400000000 ] - [ -0.0004219700000000, 0.0000000000000000, -0.0009520900000000 ] - [ 0.0013823800000000, -0.0004169100000000, -0.0008796500000000 ] - [ -0.0027229800000000, -0.0009624700000000, -0.0001512800000000 ] - [ 0.0001247700000000, 0.0006293900000000, -0.0010045200000000 ] - [ -0.0004076900000000, -0.0000793100000000, 0.0003399600000000 ] - [ -0.0000157100000000, 0.0000000000000000, 0.0000582600000000 ] - [ -0.0001092500000000, 0.0000000000000000, 0.0000627000000000 ] - [ 0.0001247700000000, -0.0006293900000000, -0.0010045200000000 ] - [ -0.0004076900000000, 0.0000793100000000, 0.0003399600000000 ] - [ 0.0008615700000000, 0.0000000000000000, -0.0010562900000000 ] - [ -0.0008310500000000, 0.0000000000000000, 0.0003850400000000 ] - [ -0.0002396800000000, 0.0013055400000000, -0.0006733900000000 ] - [ -0.0006265300000000, -0.0001647200000000, 0.0000184400000000 ] - [ -0.0002396800000000, -0.0013055400000000, -0.0006733900000000 ] - [ -0.0006265300000000, 0.0001647200000000, 0.0000184400000000 ] - [ -0.0007600500000000, -0.0000821500000000, 0.0007511500000000 ] - [ 0.0013181500000000, -0.0003906200000000, 0.0010901600000000 ] - [ -0.0003453400000000, 0.0000000000000000, 0.0007299300000000 ] - [ 0.0004835200000000, 0.0000000000000000, 0.0008152100000000 ] - [ -0.0007600500000000, 0.0000821500000000, 0.0007511500000000 ] - [ 0.0013181500000000, 0.0003906200000000, 0.0010901600000000 ] - [ -0.0005303200000000, 0.0000000000000000, -0.0009541500000000 ] - [ 0.0000399100000000, 0.0000000000000000, 0.0014183300000000 ] - [ 0.0000615700000000, 0.0003325000000000, -0.0003497300000000 ] - [ 0.0005964000000000, -0.0004469900000000, 0.0002324700000000 ] - [ 0.0000615700000000, -0.0003325000000000, -0.0003497300000000 ] - [ 0.0005964000000000, 0.0004469900000000, 0.0002324700000000 ] - [ 0.0009723100000000, 0.0000000000000000, 0.0001799100000000 ] - [ -0.0000468300000000, 0.0000000000000000, -0.0004175000000000 ] - [ -0.0004014000000000, -0.0002493300000000, 0.0002196600000000 ] - [ -0.0000241100000000, -0.0002095300000000, -0.0001093700000000 ] - [ -0.0004014000000000, 0.0002493300000000, 0.0002196600000000 ] - [ -0.0000241100000000, 0.0002095300000000, -0.0001093700000000 ] - [ -0.0002557100000000, 0.0016260400000000, 0.0018831300000000 ] - [ -0.0007078000000000, -0.0002701500000000, -0.0004898400000000 ] - [ 0.0000000800000000, 0.0000000000000000, -0.0001257000000000 ] - [ -0.0006062900000000, 0.0000000000000000, -0.0000867300000000 ] - [ -0.0002557100000000, -0.0016260400000000, 0.0018831300000000 ] - [ -0.0007078000000000, 0.0002701500000000, -0.0004898400000000 ] - [ -0.0005249100000000, 0.0000000000000000, 0.0007378100000000 ] - [ 0.0010475200000000, 0.0000000000000000, 0.0003025900000000 ] - [ -0.0002549500000000, -0.0001863700000000, 0.0006835400000000 ] - [ 0.0003564800000000, -0.0004911400000000, 0.0004523100000000 ] - [ -0.0002549500000000, 0.0001863700000000, 0.0006835400000000 ] - [ 0.0003564800000000, 0.0004911400000000, 0.0004523100000000 ] - [ 0.0008985400000000, 0.0001582400000000, -0.0000302500000000 ] - [ 0.0006822400000000, -0.0002517300000000, -0.0004323000000000 ] - [ 0.0000739600000000, 0.0000000000000000, 0.0000568900000000 ] - [ 0.0005007700000000, 0.0000000000000000, -0.0001171300000000 ] - [ 0.0008985400000000, -0.0001582400000000, -0.0000302500000000 ] - [ 0.0006822400000000, 0.0002517300000000, -0.0004323000000000 ] - [ 0.0003286300000000, 0.0000000000000000, -0.0013877700000000 ] - [ 0.0115142900000000, 0.0000000000000000, -0.0031815300000000 ] - [ -0.0003989100000000, -0.0000899300000000, 0.0025093800000000 ] - [ 0.0004164200000000, -0.0004244300000000, 0.0024791800000000 ] - [ -0.0003989100000000, 0.0000899300000000, 0.0025093800000000 ] - [ 0.0004164200000000, 0.0004244300000000, 0.0024791800000000 ] - [ -0.0814337400000000, 0.0000000000000000, 0.0120097600000000 ] - [ -0.0021133100000000, 0.0000000000000000, 0.0012585300000000 ] - [ -0.0005755800000000, 0.0002733200000000, 0.0000190300000000 ] - [ 0.0011665000000000, -0.0001528000000000, -0.0001479100000000 ] - [ -0.0005755800000000, -0.0002733200000000, 0.0000190300000000 ] - [ 0.0011665000000000, 0.0001528000000000, -0.0001479100000000 ] - [ 0.0630129500000000, 0.0000000000000000, 0.0051498500000000 ] - [ 0.0019831300000000, 0.0000000000000000, 0.0025804700000000 ] - [ -0.0005345200000000, 0.0007674100000000, -0.0000024300000000 ] - [ -0.0011327500000000, -0.0001735100000000, -0.0001795900000000 ] - [ -0.0005345200000000, -0.0007674100000000, -0.0000024300000000 ] - [ -0.0011327500000000, 0.0001735100000000, -0.0001795900000000 ] - [ -0.0001638300000000, -0.0000031300000000, 0.0023548800000000 ] - [ 0.0002007400000000, -0.0000176100000000, 0.0024290100000000 ] - [ -0.0001342300000000, 0.0000000000000000, 0.0023569100000000 ] - [ 0.0001649000000000, 0.0000000000000000, 0.0023848900000000 ] - [ -0.0001638300000000, 0.0000031300000000, 0.0023548800000000 ] - [ 0.0002007400000000, 0.0000176100000000, 0.0024290100000000 ] - [ 0.0008028800000000, 0.0000288200000000, -0.0002216200000000 ] - [ 0.0010330300000000, -0.0000386600000000, -0.0000926500000000 ] - [ 0.0007821500000000, 0.0000000000000000, -0.0002033100000000 ] - [ 0.0010190200000000, 0.0000000000000000, -0.0001088200000000 ] - [ 0.0008028800000000, -0.0000288200000000, -0.0002216200000000 ] - [ 0.0010330300000000, 0.0000386600000000, -0.0000926500000000 ] - [ -0.0008159600000000, 0.0000249900000000, -0.0002640900000000 ] - [ -0.0010538800000000, -0.0000394100000000, -0.0000992600000000 ] - [ -0.0008466700000000, 0.0000000000000000, -0.0002359300000000 ] - [ -0.0010320500000000, 0.0000000000000000, -0.0001217200000000 ] - [ -0.0008159600000000, -0.0000249900000000, -0.0002640900000000 ] - [ -0.0010538800000000, 0.0000394100000000, -0.0000992600000000 ]- atom: 103 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0022472400000000, 0.0015234500000000, -0.0031467300000000 ] - [ 0.0000622400000000, -0.0024273400000000, -0.0001260200000000 ] - [ -0.0001059300000000, 0.0000000000000000, -0.0019006100000000 ] - [ 0.0006242600000000, 0.0000000000000000, -0.0016248400000000 ] - [ -0.0022472400000000, -0.0015234500000000, -0.0031467300000000 ] - [ 0.0000622400000000, 0.0024273400000000, -0.0001260200000000 ] - [ 0.0005788900000000, -0.0008255100000000, 0.0002769200000000 ] - [ -0.0010307400000000, -0.0008370700000000, -0.0009710700000000 ] - [ 0.0003483700000000, 0.0000000000000000, -0.0014524800000000 ] - [ -0.0008168900000000, 0.0000000000000000, -0.0016833900000000 ] - [ 0.0005788900000000, 0.0008255100000000, 0.0002769200000000 ] - [ -0.0010307400000000, 0.0008370700000000, -0.0009710700000000 ] - [ 0.0001420400000000, 0.0000000000000000, 0.0003179400000000 ] - [ -0.0003613600000000, 0.0000000000000000, 0.0023197500000000 ] - [ -0.0001740300000000, 0.0003383100000000, 0.0013088800000000 ] - [ -0.0001082500000000, -0.0002138900000000, 0.0019795300000000 ] - [ -0.0001740300000000, -0.0003383100000000, 0.0013088800000000 ] - [ -0.0001082500000000, 0.0002138900000000, 0.0019795300000000 ] - [ -0.0008198400000000, 0.0000000000000000, -0.0009764800000000 ] - [ 0.0011496000000000, 0.0000000000000000, -0.0003024600000000 ] - [ -0.0004214100000000, -0.0000052200000000, -0.0011505000000000 ] - [ 0.0006680400000000, -0.0001184000000000, -0.0010997900000000 ] - [ -0.0004214100000000, 0.0000052200000000, -0.0011505000000000 ] - [ 0.0006680400000000, 0.0001184000000000, -0.0010997900000000 ] - [ -0.0000143400000000, 0.0000000000000000, -0.0014900300000000 ] - [ 0.0007979600000000, 0.0000000000000000, -0.0021946200000000 ] - [ 0.0001364300000000, -0.0001152000000000, -0.0017256300000000 ] - [ 0.0006640800000000, -0.0001249900000000, -0.0019143300000000 ] - [ 0.0001364300000000, 0.0001152000000000, -0.0017256300000000 ] - [ 0.0006640800000000, 0.0001249900000000, -0.0019143300000000 ] - [ 0.0000504300000000, 0.0000000000000000, -0.0009489100000000 ] - [ -0.0008404500000000, 0.0000000000000000, -0.0021964800000000 ] - [ -0.0000883400000000, 0.0003085100000000, -0.0016531700000000 ] - [ -0.0007265100000000, -0.0001588500000000, -0.0018671100000000 ] - [ -0.0000883400000000, -0.0003085100000000, -0.0016531700000000 ] - [ -0.0007265100000000, 0.0001588500000000, -0.0018671100000000 ] - [ -0.0024285900000000, 0.0050443500000000, 0.0071095500000000 ] - [ -0.0000224300000000, -0.0007807800000000, 0.0010920700000000 ] - [ 0.0002050600000000, 0.0000000000000000, 0.0023966600000000 ] - [ -0.0000612100000000, 0.0000000000000000, 0.0016579800000000 ] - [ -0.0024285900000000, -0.0050443500000000, 0.0071095500000000 ] - [ -0.0000224300000000, 0.0007807800000000, 0.0010920700000000 ] - [ -0.0013344000000000, -0.0004745300000000, -0.0013521000000000 ] - [ 0.0027179200000000, -0.0009227500000000, -0.0019936200000000 ] - [ -0.0004987900000000, 0.0000000000000000, -0.0009670200000000 ] - [ 0.0004285200000000, 0.0000000000000000, -0.0012182200000000 ] - [ -0.0013344000000000, 0.0004745300000000, -0.0013521000000000 ] - [ 0.0027179200000000, 0.0009227500000000, -0.0019936200000000 ] - [ -0.0000930100000000, -0.0006403200000000, 0.0011656400000000 ] - [ 0.0003663600000000, 0.0000778300000000, -0.0001908700000000 ] - [ 0.0000280600000000, 0.0000000000000000, 0.0000925800000000 ] - [ 0.0000935900000000, 0.0000000000000000, 0.0000858900000000 ] - [ -0.0000930100000000, 0.0006403200000000, 0.0011656400000000 ] - [ 0.0003663600000000, -0.0000778300000000, -0.0001908700000000 ] - [ -0.0016135500000000, 0.0000000000000000, 0.0009006600000000 ] - [ 0.0000308800000000, 0.0000000000000000, -0.0006137600000000 ] - [ -0.0005163400000000, -0.0013169900000000, 0.0004902500000000 ] - [ -0.0001467500000000, 0.0001795200000000, -0.0002194600000000 ] - [ -0.0005163400000000, 0.0013169900000000, 0.0004902500000000 ] - [ -0.0001467500000000, -0.0001795200000000, -0.0002194600000000 ] - [ 0.0007627100000000, 0.0000917000000000, 0.0007072400000000 ] - [ -0.0013192100000000, 0.0003813900000000, 0.0004061900000000 ] - [ 0.0003472600000000, 0.0000000000000000, 0.0007457500000000 ] - [ -0.0004823700000000, 0.0000000000000000, 0.0006615500000000 ] - [ 0.0007627100000000, -0.0000917000000000, 0.0007072400000000 ] - [ -0.0013192100000000, -0.0003813900000000, 0.0004061900000000 ] - [ 0.0013159200000000, 0.0000000000000000, 0.0007372500000000 ] - [ 0.0006871000000000, 0.0000000000000000, -0.0015712200000000 ] - [ 0.0007145500000000, -0.0003203800000000, 0.0001455600000000 ] - [ 0.0001622500000000, 0.0004328700000000, -0.0004189000000000 ] - [ 0.0007145500000000, 0.0003203800000000, 0.0001455600000000 ] - [ 0.0001622500000000, -0.0004328700000000, -0.0004189000000000 ] - [ -0.0009441700000000, 0.0000000000000000, -0.0000361800000000 ] - [ 0.0000337700000000, 0.0000000000000000, 0.0005645800000000 ] - [ 0.0004179500000000, 0.0002649800000000, -0.0000661900000000 ] - [ 0.0000174200000000, 0.0002083900000000, 0.0002574300000000 ] - [ 0.0004179500000000, -0.0002649800000000, -0.0000661900000000 ] - [ 0.0000174200000000, -0.0002083900000000, 0.0002574300000000 ] - [ -0.0005034300000000, -0.0016338000000000, -0.0020836200000000 ] - [ -0.0000744800000000, 0.0002720300000000, 0.0002993400000000 ] - [ -0.0007571200000000, 0.0000000000000000, -0.0000689900000000 ] - [ -0.0001642300000000, 0.0000000000000000, -0.0001060900000000 ] - [ -0.0005034300000000, 0.0016338000000000, -0.0020836200000000 ] - [ -0.0000744800000000, -0.0002720300000000, 0.0002993400000000 ] - [ 0.0005105600000000, 0.0000000000000000, 0.0007641100000000 ] - [ -0.0010384500000000, 0.0000000000000000, 0.0011551300000000 ] - [ 0.0002492100000000, 0.0002010500000000, 0.0008019800000000 ] - [ -0.0003592200000000, 0.0004756800000000, 0.0010115700000000 ] - [ 0.0002492100000000, -0.0002010500000000, 0.0008019800000000 ] - [ -0.0003592200000000, -0.0004756800000000, 0.0010115700000000 ] - [ -0.0001266300000000, -0.0001259100000000, -0.0001248000000000 ] - [ 0.0000765800000000, 0.0002514200000000, 0.0002379800000000 ] - [ 0.0006944300000000, 0.0000000000000000, -0.0002541600000000 ] - [ 0.0002598700000000, 0.0000000000000000, -0.0000794900000000 ] - [ -0.0001266300000000, 0.0001259100000000, -0.0001248000000000 ] - [ 0.0000765800000000, -0.0002514200000000, 0.0002379800000000 ] - [ -0.0007069800000000, 0.0000000000000000, 0.0060861900000000 ] - [ -0.0114044900000000, 0.0000000000000000, 0.0079289400000000 ] - [ 0.0004008000000000, 0.0001031400000000, 0.0022911800000000 ] - [ -0.0004165000000000, 0.0004066400000000, 0.0023097200000000 ] - [ 0.0004008000000000, -0.0001031400000000, 0.0022911800000000 ] - [ -0.0004165000000000, -0.0004066400000000, 0.0023097200000000 ] - [ 0.0866952100000000, 0.0000000000000000, -0.0124600800000000 ] - [ 0.0040178900000000, 0.0000000000000000, -0.0016168800000000 ] - [ 0.0024417200000000, -0.0002944000000000, -0.0002909200000000 ] - [ 0.0007012900000000, 0.0001548100000000, -0.0001183200000000 ] - [ 0.0024417200000000, 0.0002944000000000, -0.0002909200000000 ] - [ 0.0007012900000000, -0.0001548100000000, -0.0001183200000000 ] - [ -0.0678869600000000, 0.0000000000000000, -0.0052150600000000 ] - [ -0.0038522800000000, 0.0000000000000000, -0.0027544600000000 ] - [ -0.0013332900000000, -0.0007655500000000, -0.0002687700000000 ] - [ -0.0007316100000000, 0.0001706900000000, -0.0000929800000000 ] - [ -0.0013332900000000, 0.0007655500000000, -0.0002687700000000 ] - [ -0.0007316100000000, -0.0001706900000000, -0.0000929800000000 ] - [ 0.0001627600000000, 0.0000059500000000, 0.0024414100000000 ] - [ -0.0001998700000000, 0.0000158900000000, 0.0023680100000000 ] - [ 0.0001323900000000, 0.0000000000000000, 0.0024380900000000 ] - [ -0.0001662400000000, 0.0000000000000000, 0.0024113800000000 ] - [ 0.0001627600000000, -0.0000059500000000, 0.0024414100000000 ] - [ -0.0001998700000000, -0.0000158900000000, 0.0023680100000000 ] - [ 0.0010632300000000, -0.0000287200000000, -0.0000468400000000 ] - [ 0.0008332500000000, 0.0000386500000000, -0.0001745300000000 ] - [ 0.0010847400000000, 0.0000000000000000, -0.0000662000000000 ] - [ 0.0008475000000000, 0.0000000000000000, -0.0001591000000000 ] - [ 0.0010632300000000, 0.0000287200000000, -0.0000468400000000 ] - [ 0.0008332500000000, -0.0000386500000000, -0.0001745300000000 ] - [ -0.0010502000000000, -0.0000254700000000, -0.0000000700000000 ] - [ -0.0008133600000000, 0.0000387800000000, -0.0001694300000000 ] - [ -0.0010193300000000, 0.0000000000000000, -0.0000300100000000 ] - [ -0.0008340500000000, 0.0000000000000000, -0.0001465400000000 ] - [ -0.0010502000000000, 0.0000254700000000, -0.0000000700000000 ] - [ -0.0008133600000000, -0.0000387800000000, -0.0001694300000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009480500000000, -0.0002496700000000, -0.0004481700000000 ] - [ -0.0002719800000000, -0.0000427100000000, -0.0014189300000000 ] - [ 0.0004692000000000, -0.0008886500000000, -0.0017159400000000 ] - [ 0.0004635300000000, -0.0006347800000000, -0.0017163400000000 ] - [ -0.0000018100000000, -0.0002651300000000, -0.0029958600000000 ] - [ 0.0012041100000000, -0.0000280900000000, -0.0020101800000000 ] - [ 0.0011258200000000, 0.0058248000000000, -0.0070377800000000 ] - [ -0.0005597700000000, 0.0005085200000000, -0.0018966900000000 ] - [ -0.0004704600000000, -0.0025836300000000, -0.0017098700000000 ] - [ -0.0004665700000000, -0.0003324100000000, -0.0017156900000000 ] - [ -0.0019761500000000, 0.0056630500000000, 0.0033582200000000 ] - [ -0.0003843900000000, 0.0004876000000000, -0.0015451700000000 ] - [ 0.0000014700000000, 0.0013212200000000, 0.0017740900000000 ] - [ -0.0000036500000000, 0.0002226300000000, 0.0017767200000000 ] - [ 0.0005924000000000, -0.0006156000000000, 0.0023189300000000 ] - [ -0.0001390600000000, -0.0000982800000000, 0.0018326900000000 ] - [ -0.0005863500000000, -0.0006170300000000, 0.0012376400000000 ] - [ 0.0001375900000000, -0.0000990300000000, 0.0017205400000000 ] - [ 0.0000006500000000, 0.0002142200000000, -0.0010965900000000 ] - [ 0.0000022200000000, 0.0013828300000000, -0.0010905300000000 ] - [ 0.0001299600000000, -0.0001051900000000, -0.0010365900000000 ] - [ -0.0004545200000000, -0.0006649300000000, -0.0006636600000000 ] - [ -0.0001297300000000, -0.0001076200000000, -0.0011482700000000 ] - [ 0.0004504400000000, -0.0006666400000000, -0.0015159700000000 ] - [ 0.0004660000000000, 0.0015708500000000, -0.0017134700000000 ] - [ 0.0004643300000000, 0.0002998200000000, -0.0017150200000000 ] - [ 0.0010876000000000, -0.0007429500000000, -0.0022153100000000 ] - [ 0.0003714400000000, -0.0001502600000000, -0.0018113700000000 ] - [ -0.0001452900000000, -0.0007432600000000, -0.0012195900000000 ] - [ 0.0005563500000000, -0.0001538500000000, -0.0016222800000000 ] - [ -0.0004640200000000, 0.0015362500000000, -0.0017088700000000 ] - [ -0.0004664000000000, 0.0002232800000000, -0.0017154500000000 ] - [ -0.0011673200000000, -0.0007501600000000, -0.0023467700000000 ] - [ -0.0003935400000000, -0.0001148100000000, -0.0017891500000000 ] - [ 0.0002314200000000, -0.0007548000000000, -0.0010891300000000 ] - [ -0.0005402100000000, -0.0001132700000000, -0.0016402700000000 ] - [ -0.0033706500000000, 0.0060265800000000, 0.0068442400000000 ] - [ -0.0000684200000000, 0.0001013900000000, 0.0017250900000000 ] - [ 0.0000066700000000, -0.0027389800000000, 0.0017735200000000 ] - [ -0.0000026100000000, -0.0002833200000000, 0.0017767400000000 ] - [ 0.0032353000000000, 0.0058456900000000, -0.0030385000000000 ] - [ 0.0000700000000000, 0.0000996000000000, 0.0018289800000000 ] - [ 0.0013679400000000, -0.0000231700000000, -0.0011572700000000 ] - [ -0.0010437500000000, 0.0005296900000000, -0.0010721500000000 ] - [ 0.0000025200000000, -0.0005750000000000, -0.0010922500000000 ] - [ -0.0000037600000000, -0.0008800900000000, -0.0010915100000000 ] - [ -0.0013690500000000, -0.0000330100000000, -0.0010145600000000 ] - [ 0.0010593500000000, 0.0005210400000000, -0.0010966000000000 ] - [ -0.0011087800000000, 0.0000025200000000, -0.0013062000000000 ] - [ 0.0003613300000000, -0.0001378300000000, 0.0000112600000000 ] - [ -0.0000031100000000, 0.0006740200000000, 0.0000746600000000 ] - [ -0.0000003000000000, 0.0001251300000000, 0.0000744500000000 ] - [ 0.0011001600000000, 0.0000044600000000, 0.0014485100000000 ] - [ -0.0003551000000000, -0.0001368000000000, 0.0001394400000000 ] - [ -0.0003909800000000, -0.0024998500000000, -0.0000837200000000 ] - [ -0.0003785000000000, -0.0001178900000000, -0.0000911800000000 ] - [ -0.0006699800000000, 0.0028436600000000, -0.0012379500000000 ] - [ -0.0004356300000000, -0.0000613600000000, -0.0000653400000000 ] - [ -0.0000942600000000, 0.0028411100000000, 0.0010395900000000 ] - [ -0.0003298800000000, -0.0000586200000000, -0.0001263400000000 ] - [ -0.0001985000000000, -0.0001549200000000, 0.0007194300000000 ] - [ 0.0018011600000000, -0.0003338700000000, -0.0004130900000000 ] - [ 0.0000006500000000, 0.0001546800000000, 0.0007369300000000 ] - [ 0.0000030900000000, 0.0006163100000000, 0.0007373900000000 ] - [ 0.0002006000000000, -0.0001484600000000, 0.0007617500000000 ] - [ -0.0017845900000000, -0.0003287100000000, 0.0018865600000000 ] - [ 0.0003802300000000, -0.0005280800000000, -0.0000946900000000 ] - [ 0.0003850000000000, -0.0006002700000000, -0.0001033100000000 ] - [ 0.0001985500000000, 0.0002712300000000, -0.0001783800000000 ] - [ 0.0005945100000000, 0.0003384700000000, -0.0001436300000000 ] - [ 0.0005621300000000, 0.0002763000000000, -0.0000158000000000 ] - [ 0.0001726000000000, 0.0003361200000000, -0.0000538300000000 ] - [ 0.0000105400000000, -0.0024649300000000, 0.0000642700000000 ] - [ -0.0000015400000000, -0.0001215100000000, 0.0000749100000000 ] - [ 0.0002777300000000, 0.0029520400000000, 0.0012444300000000 ] - [ 0.0000151400000000, 0.0000772100000000, 0.0000767400000000 ] - [ -0.0002727200000000, 0.0029305300000000, -0.0010837900000000 ] - [ -0.0000136100000000, 0.0000786100000000, 0.0000729000000000 ] - [ 0.0010120900000000, 0.0006872900000000, 0.0024573900000000 ] - [ -0.0004999900000000, -0.0000848700000000, 0.0000134300000000 ] - [ -0.0003802200000000, 0.0007782600000000, -0.0000941200000000 ] - [ -0.0003804400000000, 0.0001479200000000, -0.0000965700000000 ] - [ -0.0017718300000000, 0.0006989600000000, -0.0026566600000000 ] - [ -0.0002622400000000, -0.0000870400000000, -0.0002076100000000 ] - [ 0.0000013700000000, -0.0005140400000000, 0.0007351500000000 ] - [ 0.0000002600000000, -0.0005717500000000, 0.0007369800000000 ] - [ -0.0002342700000000, 0.0002443800000000, 0.0007324400000000 ] - [ 0.0002353000000000, 0.0003097400000000, 0.0007931100000000 ] - [ 0.0002301400000000, 0.0002464600000000, 0.0007411700000000 ] - [ -0.0002371100000000, 0.0003102500000000, 0.0006820000000000 ] - [ -0.0019019300000000, -0.0001138900000000, 0.0012538400000000 ] - [ 0.0006392800000000, -0.0000841700000000, 0.0000821400000000 ] - [ 0.0003759600000000, 0.0006062900000000, -0.0000974200000000 ] - [ 0.0003847700000000, 0.0001668800000000, -0.0000976000000000 ] - [ 0.0026411100000000, -0.0001037500000000, -0.0014553100000000 ] - [ 0.0001289900000000, -0.0000830800000000, -0.0002794500000000 ] - [ 0.0000401300000000, -0.0038024500000000, 0.0024122200000000 ] - [ 0.0000267300000000, 0.0002087700000000, 0.0023962200000000 ] - [ -0.0003738100000000, 0.0001149200000000, 0.0022532900000000 ] - [ 0.0001976800000000, 0.0001462800000000, 0.0025821000000000 ] - [ 0.0003707400000000, 0.0001177600000000, 0.0025413700000000 ] - [ -0.0001979500000000, 0.0001520700000000, 0.0022152100000000 ] - [ 0.0008125800000000, -0.0499059800000000, -0.0001164500000000 ] - [ 0.0009360100000000, -0.0003410400000000, -0.0001203600000000 ] - [ 0.0006489800000000, 0.0074332000000000, 0.0000472700000000 ] - [ 0.0010870100000000, 0.0000158500000000, -0.0001772900000000 ] - [ 0.0012165800000000, 0.0073348800000000, -0.0003143400000000 ] - [ 0.0007791600000000, 0.0000152200000000, -0.0000915100000000 ] - [ -0.0008521600000000, 0.0115539600000000, -0.0001725700000000 ] - [ -0.0009452300000000, 0.0013652500000000, -0.0001537800000000 ] - [ -0.0001591000000000, -0.0002070200000000, -0.0004075200000000 ] - [ -0.0011052400000000, 0.0001022200000000, -0.0001142400000000 ] - [ -0.0016922200000000, -0.0001945600000000, 0.0001341500000000 ] - [ -0.0007614000000000, 0.0001032400000000, -0.0001548200000000 ] - [ -0.0000644000000000, -0.0000654800000000, 0.0024582500000000 ] - [ 0.0000543700000000, -0.0001090200000000, 0.0024215500000000 ] - [ -0.0000006600000000, 0.0001522500000000, 0.0023972700000000 ] - [ -0.0000002700000000, 0.0002405700000000, 0.0023981800000000 ] - [ 0.0000642600000000, -0.0000656500000000, 0.0023375900000000 ] - [ -0.0000531700000000, -0.0001081500000000, 0.0023746200000000 ] - [ 0.0009040500000000, -0.0001253700000000, -0.0001398200000000 ] - [ 0.0009716500000000, -0.0000247700000000, -0.0001349700000000 ] - [ 0.0009329500000000, 0.0002680700000000, -0.0001350100000000 ] - [ 0.0009331400000000, 0.0000512900000000, -0.0001344300000000 ] - [ 0.0009611800000000, -0.0001251500000000, -0.0001290400000000 ] - [ 0.0008943100000000, -0.0000244000000000, -0.0001335200000000 ] - [ -0.0009074700000000, -0.0000999500000000, -0.0001222200000000 ] - [ -0.0009722100000000, -0.0000277400000000, -0.0001277000000000 ] - [ -0.0009328700000000, 0.0002134700000000, -0.0001341600000000 ] - [ -0.0009329600000000, 0.0000572400000000, -0.0001337100000000 ] - [ -0.0009582100000000, -0.0000985200000000, -0.0001455700000000 ] - [ -0.0008942700000000, -0.0000271300000000, -0.0001407500000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004123100000000, 0.0010604000000000, -0.0023937500000000 ] - [ 0.0012476300000000, -0.0001717900000000, -0.0007134200000000 ] - [ 0.0004072800000000, 0.0000000000000000, -0.0013717000000000 ] - [ 0.0006947500000000, 0.0000000000000000, -0.0016008600000000 ] - [ 0.0004123100000000, -0.0010604000000000, -0.0023937500000000 ] - [ 0.0012476300000000, 0.0001717900000000, -0.0007134200000000 ] - [ -0.0021181100000000, -0.0024114500000000, 0.0050956500000000 ] - [ -0.0008505400000000, 0.0006336600000000, -0.0021046800000000 ] - [ -0.0004891800000000, 0.0000000000000000, -0.0007465100000000 ] - [ -0.0004729500000000, 0.0000000000000000, -0.0016797300000000 ] - [ -0.0021181100000000, 0.0024114500000000, 0.0050956500000000 ] - [ -0.0008505400000000, -0.0006336600000000, -0.0021046800000000 ] - [ -0.0017501800000000, 0.0000000000000000, -0.0006110300000000 ] - [ 0.0001570300000000, 0.0000000000000000, 0.0015601200000000 ] - [ -0.0007703000000000, 0.0005919700000000, 0.0008745800000000 ] - [ 0.0000974600000000, 0.0000429000000000, 0.0015808000000000 ] - [ -0.0007703000000000, -0.0005919700000000, 0.0008745800000000 ] - [ 0.0000974600000000, -0.0000429000000000, 0.0015808000000000 ] - [ -0.0000831700000000, 0.0000000000000000, -0.0015799200000000 ] - [ 0.0014763300000000, 0.0000000000000000, -0.0024219800000000 ] - [ -0.0000812800000000, 0.0000865000000000, -0.0013651300000000 ] - [ 0.0006191500000000, 0.0005467000000000, -0.0018326700000000 ] - [ -0.0000812800000000, -0.0000865000000000, -0.0013651300000000 ] - [ 0.0006191500000000, -0.0005467000000000, -0.0018326700000000 ] - [ 0.0020433300000000, 0.0000000000000000, -0.0033531000000000 ] - [ 0.0002382800000000, 0.0000000000000000, -0.0019723500000000 ] - [ 0.0011506500000000, -0.0006088200000000, -0.0024143700000000 ] - [ 0.0003589400000000, -0.0000648900000000, -0.0018621000000000 ] - [ 0.0011506500000000, 0.0006088200000000, -0.0024143700000000 ] - [ 0.0003589400000000, 0.0000648900000000, -0.0018621000000000 ] - [ -0.0023016600000000, 0.0000000000000000, -0.0047318400000000 ] - [ -0.0001794000000000, 0.0000000000000000, -0.0020083000000000 ] - [ -0.0012659700000000, -0.0007891400000000, -0.0026095100000000 ] - [ -0.0003150300000000, -0.0000864900000000, -0.0018002100000000 ] - [ -0.0012659700000000, 0.0007891400000000, -0.0026095100000000 ] - [ -0.0003150300000000, 0.0000864900000000, -0.0018002100000000 ] - [ -0.0033861000000000, 0.0028030100000000, 0.0084405100000000 ] - [ 0.0001615100000000, -0.0000823200000000, 0.0018928000000000 ] - [ -0.0001193200000000, 0.0000000000000000, 0.0029386500000000 ] - [ 0.0000271100000000, 0.0000000000000000, 0.0019282000000000 ] - [ -0.0033861000000000, -0.0028030100000000, 0.0084405100000000 ] - [ 0.0001615100000000, 0.0000823200000000, 0.0018928000000000 ] - [ 0.0012688300000000, -0.0004426300000000, -0.0003777000000000 ] - [ -0.0010557100000000, -0.0004065200000000, -0.0006093700000000 ] - [ 0.0002374200000000, 0.0000000000000000, -0.0007757600000000 ] - [ -0.0001919000000000, 0.0000000000000000, -0.0006603200000000 ] - [ 0.0012688300000000, 0.0004426300000000, -0.0003777000000000 ] - [ -0.0010557100000000, 0.0004065200000000, -0.0006093700000000 ] - [ 0.0016660000000000, -0.0010394200000000, 0.0016941700000000 ] - [ 0.0000415900000000, -0.0000293200000000, 0.0001584700000000 ] - [ 0.0004134400000000, 0.0000000000000000, -0.0001019600000000 ] - [ -0.0000758100000000, 0.0000000000000000, 0.0001135300000000 ] - [ 0.0016660000000000, 0.0010394200000000, 0.0016941700000000 ] - [ 0.0000415900000000, 0.0000293200000000, 0.0001584700000000 ] - [ -0.0026684300000000, 0.0000000000000000, 0.0058520500000000 ] - [ -0.0002690000000000, 0.0000000000000000, 0.0001689500000000 ] - [ 0.0001013800000000, -0.0031107300000000, 0.0013258200000000 ] - [ -0.0004254700000000, -0.0001515000000000, -0.0000109500000000 ] - [ 0.0001013800000000, 0.0031107300000000, 0.0013258200000000 ] - [ -0.0004254700000000, 0.0001515000000000, -0.0000109500000000 ] - [ 0.0001306200000000, -0.0000405200000000, 0.0010090000000000 ] - [ -0.0022576300000000, -0.0003826400000000, 0.0016870300000000 ] - [ 0.0000063600000000, 0.0000000000000000, 0.0007662000000000 ] - [ -0.0003481700000000, 0.0000000000000000, 0.0005784800000000 ] - [ 0.0001306200000000, 0.0000405200000000, 0.0010090000000000 ] - [ -0.0022576300000000, 0.0003826400000000, 0.0016870300000000 ] - [ 0.0007401300000000, 0.0000000000000000, -0.0001102000000000 ] - [ -0.0004244500000000, 0.0000000000000000, -0.0003718600000000 ] - [ 0.0005996500000000, -0.0002908000000000, -0.0000418000000000 ] - [ 0.0000496100000000, -0.0000602800000000, -0.0001847800000000 ] - [ 0.0005996500000000, 0.0002908000000000, -0.0000418000000000 ] - [ 0.0000496100000000, 0.0000602800000000, -0.0001847800000000 ] - [ -0.0032963500000000, 0.0000000000000000, 0.0057360000000000 ] - [ -0.0000432600000000, 0.0000000000000000, 0.0000167800000000 ] - [ 0.0004789600000000, 0.0028698400000000, 0.0013525900000000 ] - [ -0.0000228400000000, 0.0000556600000000, 0.0000362400000000 ] - [ 0.0004789600000000, -0.0028698400000000, 0.0013525900000000 ] - [ -0.0000228400000000, -0.0000556600000000, 0.0000362400000000 ] - [ 0.0016406200000000, 0.0025964400000000, 0.0031402800000000 ] - [ -0.0005777000000000, 0.0001538500000000, 0.0000802800000000 ] - [ 0.0000120400000000, 0.0000000000000000, -0.0004481100000000 ] - [ -0.0004807300000000, 0.0000000000000000, -0.0001265100000000 ] - [ 0.0016406200000000, -0.0025964400000000, 0.0031402800000000 ] - [ -0.0005777000000000, -0.0001538500000000, 0.0000802800000000 ] - [ -0.0008250500000000, 0.0000000000000000, 0.0005293900000000 ] - [ 0.0007996200000000, 0.0000000000000000, 0.0010669500000000 ] - [ -0.0003190500000000, 0.0001288300000000, 0.0006568100000000 ] - [ 0.0003340600000000, 0.0003439900000000, 0.0007444300000000 ] - [ -0.0003190500000000, -0.0001288300000000, 0.0006568100000000 ] - [ 0.0003340600000000, -0.0003439900000000, 0.0007444300000000 ] - [ -0.0020338600000000, 0.0006458200000000, 0.0010109700000000 ] - [ 0.0007059600000000, 0.0000500100000000, 0.0000473700000000 ] - [ 0.0000896300000000, 0.0000000000000000, -0.0002873200000000 ] - [ 0.0004555200000000, 0.0000000000000000, -0.0001083100000000 ] - [ -0.0020338600000000, -0.0006458200000000, 0.0010109700000000 ] - [ 0.0007059600000000, -0.0000500100000000, 0.0000473700000000 ] - [ 0.0069720600000000, 0.0000000000000000, 0.0032836900000000 ] - [ 0.0024951400000000, 0.0000000000000000, 0.0037848200000000 ] - [ -0.0000511800000000, -0.0001272700000000, 0.0022661900000000 ] - [ -0.0002355600000000, -0.0001465100000000, 0.0019457200000000 ] - [ -0.0000511800000000, 0.0001272700000000, 0.0022661900000000 ] - [ -0.0002355600000000, 0.0001465100000000, 0.0019457200000000 ] - [ 0.0130640100000000, 0.0000000000000000, -0.0551328200000000 ] - [ 0.0023865000000000, 0.0000000000000000, 0.0011056600000000 ] - [ 0.0010866200000000, -0.0001936100000000, -0.0012273600000000 ] - [ 0.0009176500000000, 0.0000427100000000, -0.0002430400000000 ] - [ 0.0010866200000000, 0.0001936100000000, -0.0012273600000000 ] - [ 0.0009176500000000, -0.0000427100000000, -0.0002430400000000 ] - [ -0.0060081400000000, 0.0000000000000000, 0.0064511800000000 ] - [ -0.0036126100000000, 0.0000000000000000, -0.0026982200000000 ] - [ -0.0010658100000000, 0.0002713700000000, -0.0006469900000000 ] - [ -0.0008898500000000, -0.0000204800000000, -0.0002334600000000 ] - [ -0.0010658100000000, -0.0002713700000000, -0.0006469900000000 ] - [ -0.0008898500000000, 0.0000204800000000, -0.0002334600000000 ] - [ -0.0001047700000000, 0.0000613800000000, 0.0026668500000000 ] - [ 0.0001439200000000, 0.0000021100000000, 0.0028140700000000 ] - [ -0.0000927200000000, 0.0000000000000000, 0.0025687700000000 ] - [ 0.0000959300000000, 0.0000000000000000, 0.0026998800000000 ] - [ -0.0001047700000000, -0.0000613800000000, 0.0026668500000000 ] - [ 0.0001439200000000, -0.0000021100000000, 0.0028140700000000 ] - [ 0.0008450200000000, 0.0000059000000000, 0.0004806600000000 ] - [ 0.0009742700000000, 0.0000007700000000, -0.0000199300000000 ] - [ 0.0008646100000000, 0.0000000000000000, 0.0004105100000000 ] - [ 0.0009586800000000, 0.0000000000000000, -0.0000598500000000 ] - [ 0.0008450200000000, -0.0000059000000000, 0.0004806600000000 ] - [ 0.0009742700000000, -0.0000007700000000, -0.0000199300000000 ] - [ -0.0008006600000000, -0.0000119800000000, 0.0003484000000000 ] - [ -0.0009686600000000, -0.0000068200000000, -0.0000262000000000 ] - [ -0.0008297700000000, 0.0000000000000000, 0.0001780900000000 ] - [ -0.0009456700000000, 0.0000000000000000, -0.0000439000000000 ] - [ -0.0008006600000000, 0.0000119800000000, 0.0003484000000000 ] - [ -0.0009686600000000, 0.0000068200000000, -0.0000262000000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005337900000000, -0.0010410900000000, -0.0010508400000000 ] - [ -0.0003203500000000, 0.0001506100000000, -0.0027178200000000 ] - [ 0.0005305500000000, 0.0000000000000000, -0.0020631400000000 ] - [ 0.0002313600000000, 0.0000000000000000, -0.0018331200000000 ] - [ 0.0005337900000000, 0.0010410900000000, -0.0010508400000000 ] - [ -0.0003203500000000, -0.0001506100000000, -0.0027178200000000 ] - [ 0.0013022600000000, 0.0026498400000000, -0.0087567400000000 ] - [ -0.0000930700000000, -0.0006176800000000, -0.0013411600000000 ] - [ -0.0004395800000000, 0.0000000000000000, -0.0027021500000000 ] - [ -0.0004604800000000, 0.0000000000000000, -0.0017549600000000 ] - [ 0.0013022600000000, -0.0026498400000000, -0.0087567400000000 ] - [ -0.0000930700000000, 0.0006176800000000, -0.0013411600000000 ] - [ 0.0017687900000000, 0.0000000000000000, 0.0041743800000000 ] - [ -0.0001660500000000, 0.0000000000000000, 0.0019959100000000 ] - [ 0.0007778800000000, -0.0005952200000000, 0.0026824500000000 ] - [ -0.0000982900000000, -0.0000444900000000, 0.0019732400000000 ] - [ 0.0007778800000000, 0.0005952200000000, 0.0026824500000000 ] - [ -0.0000982900000000, 0.0000444900000000, 0.0019732400000000 ] - [ 0.0000820600000000, 0.0000000000000000, -0.0006127100000000 ] - [ -0.0014852100000000, 0.0000000000000000, 0.0002436100000000 ] - [ 0.0000808000000000, -0.0000859800000000, -0.0008205400000000 ] - [ -0.0006241600000000, -0.0005471100000000, -0.0003476500000000 ] - [ 0.0000808000000000, 0.0000859800000000, -0.0008205400000000 ] - [ -0.0006241600000000, 0.0005471100000000, -0.0003476500000000 ] - [ -0.0010913400000000, 0.0000000000000000, -0.0000750100000000 ] - [ 0.0006934300000000, 0.0000000000000000, -0.0014529800000000 ] - [ -0.0002071600000000, 0.0006093100000000, -0.0010187800000000 ] - [ 0.0005682000000000, 0.0000715200000000, -0.0015706900000000 ] - [ -0.0002071600000000, -0.0006093100000000, -0.0010187800000000 ] - [ 0.0005682000000000, -0.0000715200000000, -0.0015706900000000 ] - [ 0.0013522900000000, 0.0000000000000000, 0.0013128900000000 ] - [ -0.0007517600000000, 0.0000000000000000, -0.0014216400000000 ] - [ 0.0003297200000000, 0.0007888400000000, -0.0008212900000000 ] - [ -0.0006194400000000, 0.0000839000000000, -0.0016270800000000 ] - [ 0.0003297200000000, -0.0007888400000000, -0.0008212900000000 ] - [ -0.0006194400000000, -0.0000839000000000, -0.0016270800000000 ] - [ 0.0032244900000000, -0.0026126400000000, -0.0047118200000000 ] - [ -0.0001592200000000, 0.0000866500000000, 0.0016650500000000 ] - [ 0.0001112000000000, 0.0000000000000000, 0.0006320700000000 ] - [ -0.0000346500000000, 0.0000000000000000, 0.0016275500000000 ] - [ 0.0032244900000000, 0.0026126400000000, -0.0047118200000000 ] - [ -0.0001592200000000, -0.0000866500000000, 0.0016650500000000 ] - [ -0.0012700300000000, 0.0004496900000000, -0.0017945300000000 ] - [ 0.0010732000000000, 0.0004262100000000, -0.0015640100000000 ] - [ -0.0002317300000000, 0.0000000000000000, -0.0014089400000000 ] - [ 0.0001982800000000, 0.0000000000000000, -0.0015165600000000 ] - [ -0.0012700300000000, -0.0004496900000000, -0.0017945300000000 ] - [ 0.0010732000000000, -0.0004262100000000, -0.0015640100000000 ] - [ -0.0016843500000000, 0.0010557500000000, -0.0015645900000000 ] - [ -0.0000332900000000, 0.0000288600000000, -0.0000091400000000 ] - [ -0.0004181000000000, 0.0000000000000000, 0.0002563100000000 ] - [ 0.0000760400000000, 0.0000000000000000, 0.0000352100000000 ] - [ -0.0016843500000000, -0.0010557500000000, -0.0015645900000000 ] - [ -0.0000332900000000, -0.0000288600000000, -0.0000091400000000 ] - [ 0.0019453100000000, 0.0000000000000000, -0.0061387000000000 ] - [ -0.0004898400000000, 0.0000000000000000, -0.0003523900000000 ] - [ -0.0008704400000000, 0.0031352500000000, -0.0015287200000000 ] - [ -0.0003393100000000, 0.0001502500000000, -0.0001789500000000 ] - [ -0.0008704400000000, -0.0031352500000000, -0.0015287200000000 ] - [ -0.0003393100000000, -0.0001502500000000, -0.0001789500000000 ] - [ -0.0001279500000000, 0.0000352400000000, 0.0004729300000000 ] - [ 0.0022696600000000, 0.0003826200000000, -0.0002141900000000 ] - [ -0.0000050300000000, 0.0000000000000000, 0.0007095200000000 ] - [ 0.0003500000000000, 0.0000000000000000, 0.0008994800000000 ] - [ -0.0001279500000000, -0.0000352400000000, 0.0004729300000000 ] - [ 0.0022696600000000, -0.0003826200000000, -0.0002141900000000 ] - [ 0.0000204100000000, 0.0000000000000000, -0.0000741100000000 ] - [ 0.0012058000000000, 0.0000000000000000, 0.0001644900000000 ] - [ 0.0001605900000000, 0.0002871500000000, -0.0001503200000000 ] - [ 0.0007178100000000, 0.0000653900000000, -0.0000116200000000 ] - [ 0.0001605900000000, -0.0002871500000000, -0.0001503200000000 ] - [ 0.0007178100000000, -0.0000653900000000, -0.0000116200000000 ] - [ 0.0032372000000000, 0.0000000000000000, -0.0054650700000000 ] - [ 0.0000399600000000, 0.0000000000000000, 0.0001304800000000 ] - [ -0.0004685300000000, -0.0028363900000000, -0.0011863700000000 ] - [ 0.0000237900000000, -0.0000582800000000, 0.0001115000000000 ] - [ -0.0004685300000000, 0.0028363900000000, -0.0011863700000000 ] - [ 0.0000237900000000, 0.0000582800000000, 0.0001115000000000 ] - [ -0.0023845700000000, -0.0025809300000000, -0.0033213600000000 ] - [ -0.0001860000000000, -0.0001519000000000, -0.0002748400000000 ] - [ -0.0007747100000000, 0.0000000000000000, 0.0002517200000000 ] - [ -0.0002813900000000, 0.0000000000000000, -0.0000667600000000 ] - [ -0.0023845700000000, 0.0025809300000000, -0.0033213600000000 ] - [ -0.0001860000000000, 0.0001519000000000, -0.0002748400000000 ] - [ 0.0008211400000000, 0.0000000000000000, 0.0009380800000000 ] - [ -0.0008021100000000, 0.0000000000000000, 0.0004008800000000 ] - [ 0.0003149700000000, -0.0001306400000000, 0.0008166000000000 ] - [ -0.0003359500000000, -0.0003449700000000, 0.0007285000000000 ] - [ 0.0003149700000000, 0.0001306400000000, 0.0008166000000000 ] - [ -0.0003359500000000, 0.0003449700000000, 0.0007285000000000 ] - [ 0.0027813800000000, -0.0006524500000000, -0.0012131800000000 ] - [ 0.0000588000000000, -0.0000516200000000, -0.0002451300000000 ] - [ 0.0006689000000000, 0.0000000000000000, 0.0000911600000000 ] - [ 0.0003129400000000, 0.0000000000000000, -0.0000876800000000 ] - [ 0.0027813800000000, 0.0006524500000000, -0.0012131800000000 ] - [ 0.0000588000000000, 0.0000516200000000, -0.0002451300000000 ] - [ -0.0069472500000000, 0.0000000000000000, 0.0015375500000000 ] - [ -0.0024774300000000, 0.0000000000000000, 0.0009680300000000 ] - [ 0.0000523100000000, 0.0001248100000000, 0.0025297000000000 ] - [ 0.0002359800000000, 0.0001484800000000, 0.0028512800000000 ] - [ 0.0000523100000000, -0.0001248100000000, 0.0025297000000000 ] - [ 0.0002359800000000, -0.0001484800000000, 0.0028512800000000 ] - [ -0.0114110200000000, 0.0000000000000000, 0.0550185800000000 ] - [ -0.0004900800000000, 0.0000000000000000, -0.0013686100000000 ] - [ 0.0007768900000000, 0.0001674500000000, 0.0009587600000000 ] - [ 0.0009475600000000, -0.0000431000000000, -0.0000243000000000 ] - [ 0.0007768900000000, -0.0001674500000000, 0.0009587600000000 ] - [ 0.0009475600000000, 0.0000431000000000, -0.0000243000000000 ] - [ 0.0043564300000000, 0.0000000000000000, -0.0067776600000000 ] - [ 0.0017220100000000, 0.0000000000000000, 0.0023961800000000 ] - [ -0.0007996700000000, -0.0002701100000000, 0.0003761300000000 ] - [ -0.0009765300000000, 0.0000194000000000, -0.0000348700000000 ] - [ -0.0007996700000000, 0.0002701100000000, 0.0003761300000000 ] - [ -0.0009765300000000, -0.0000194000000000, -0.0000348700000000 ] - [ 0.0001037300000000, -0.0000604000000000, 0.0021282300000000 ] - [ -0.0001423000000000, -0.0000023200000000, 0.0019792800000000 ] - [ 0.0000910600000000, 0.0000000000000000, 0.0022251400000000 ] - [ -0.0000962700000000, 0.0000000000000000, 0.0020949000000000 ] - [ 0.0001037300000000, 0.0000604000000000, 0.0021282300000000 ] - [ -0.0001423000000000, 0.0000023200000000, 0.0019792800000000 ] - [ 0.0010198000000000, -0.0000046900000000, -0.0007502900000000 ] - [ 0.0008925300000000, -0.0000009500000000, -0.0002492300000000 ] - [ 0.0010016500000000, 0.0000000000000000, -0.0006810400000000 ] - [ 0.0009083100000000, 0.0000000000000000, -0.0002092400000000 ] - [ 0.0010198000000000, 0.0000046900000000, -0.0007502900000000 ] - [ 0.0008925300000000, 0.0000009500000000, -0.0002492300000000 ] - [ -0.0010645000000000, 0.0000118300000000, -0.0006161600000000 ] - [ -0.0008985000000000, 0.0000061800000000, -0.0002431400000000 ] - [ -0.0010355000000000, 0.0000000000000000, -0.0004463400000000 ] - [ -0.0009206400000000, 0.0000000000000000, -0.0002239100000000 ] - [ -0.0010645000000000, -0.0000118300000000, -0.0006161600000000 ] - [ -0.0008985000000000, -0.0000061800000000, -0.0002431400000000 ]