# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/13b7d913-c314-41ef-aab9-40c22f0dbf39/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 ZnSnO3 / R3c (161) / materials id 13334](https://mdr.nims.go.jp/datasets/d791fa7d-74ac-4ff3-97b7-02876e94550b) ## 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: "R3c" number: 161 Hall_symbol: "R 3 -2\"c"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.642949970000002, 1.525907876666665, 4.675107063333328 ] # a - [ -2.642949969999997, 1.525907876666665, 4.675107063333328 ] # b - [ 0.000000000000003, -3.051815753333335, 4.675107063333328 ] # c points: - symbol: O # 1 coordinates: [ 0.105482890000000, 0.789245240000000, 0.393898690000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.393898690000000, 0.105482890000000, 0.789245240000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.789245240000000, 0.393898690000000, 0.105482890000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.893898680000000, 0.289245240000001, 0.605482880000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.289245240000000, 0.605482880000001, 0.893898680000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.605482880000000, 0.893898680000001, 0.289245240000000 ] mass: 15.999400 - symbol: Zn # 7 coordinates: [ 0.715042420000000, 0.715042410000000, 0.715042420000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.215042420000000, 0.215042420000001, 0.215042420000000 ] mass: 65.380000 - symbol: Sn # 9 coordinates: [ 0.997730790000000, 0.997730780000001, 0.997730790000000 ] mass: 118.710000 - symbol: Sn # 10 coordinates: [ 0.497730790000000, 0.497730800000001, 0.497730790000000 ] mass: 118.710000 reciprocal_lattice: # without 2pi - [ 0.189182544382405, 0.109224592922837, 0.071299614921689 ] # a* - [ -0.189182544382405, 0.109224592922837, 0.071299614921689 ] # b* - [ 0.000000000000000, -0.218449185845673, 0.071299614921689 ] # c*unit_cell: lattice: - [ 5.285899940000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.642949970000000, 4.577723630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.025321190000000 ] # c points: - symbol: O # 1 coordinates: [ 0.009273950000000, 0.702310250000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.297689750000000, 0.306963700000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.693036300000000, 0.990726050000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.631023080000000, 0.657392720000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.026369640000000, 0.368976920000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.342607280000000, 0.973630360000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.675940610000000, 0.035643580000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.964356420000000, 0.640297030000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 9 coordinates: [ 0.359702970000000, 0.324059390000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 10 coordinates: [ 0.297689750000000, 0.990726050000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 11 coordinates: [ 0.693036300000000, 0.702310250000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 12 coordinates: [ 0.009273950000000, 0.306963700000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.342607280000000, 0.368976920000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.631023080000000, 0.973630360000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 15 coordinates: [ 0.026369640000000, 0.657392720000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 16 coordinates: [ 0.964356420000000, 0.324059390000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 17 coordinates: [ 0.359702970000000, 0.035643580000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 18 coordinates: [ 0.675940610000000, 0.640297030000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 6 - symbol: Zn # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.048375750000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.215042420000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.381709090000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.548375750000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.715042420000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.881709090000000 ] mass: 65.380000 reduced_to: 20 - symbol: Sn # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.331064120000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 26 coordinates: [ 0.333333330000000, 0.666666670000000, 0.164397460000000 ] mass: 118.710000 reduced_to: 26 - symbol: Sn # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.664397460000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.497730790000000 ] mass: 118.710000 reduced_to: 26 - symbol: Sn # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.997730790000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 30 coordinates: [ 0.666666670000000, 0.333333330000000, 0.831064120000000 ] mass: 118.710000 reduced_to: 26supercell: lattice: - [ 10.571799880000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.285899940000000, 9.155447260000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.025321190000000 ] # c points: - symbol: O # 1 coordinates: [ 0.004636975000000, 0.351155125000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.504636975000000, 0.351155125000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.004636975000000, 0.851155125000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.504636975000000, 0.851155125000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.148844875000000, 0.153481850000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.648844875000000, 0.153481850000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.148844875000000, 0.653481850000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.648844875000000, 0.653481850000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.346518150000000, 0.495363025000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.846518150000000, 0.495363025000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.346518150000000, 0.995363025000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.846518150000000, 0.995363025000000, 0.096208940000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.315511540000000, 0.328696360000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.815511540000000, 0.328696360000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.315511540000000, 0.828696360000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.815511540000000, 0.828696360000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.013184820000000, 0.184488460000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.513184820000000, 0.184488460000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.013184820000000, 0.684488460000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.513184820000000, 0.684488460000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.171303640000000, 0.486815180000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.671303640000000, 0.486815180000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.171303640000000, 0.986815180000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.671303640000000, 0.986815180000000, 0.262875600000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.337970305000000, 0.017821790000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.837970305000000, 0.017821790000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.337970305000000, 0.517821790000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 28 coordinates: [ 0.837970305000000, 0.517821790000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 29 coordinates: [ 0.482178210000000, 0.320148515000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.982178210000000, 0.320148515000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 31 coordinates: [ 0.482178210000000, 0.820148515000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 32 coordinates: [ 0.982178210000000, 0.820148515000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 33 coordinates: [ 0.179851485000000, 0.162029695000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.679851485000000, 0.162029695000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.179851485000000, 0.662029695000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 36 coordinates: [ 0.679851485000000, 0.662029695000000, 0.429542270000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 37 coordinates: [ 0.148844875000000, 0.495363025000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.648844875000000, 0.495363025000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 39 coordinates: [ 0.148844875000000, 0.995363025000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 40 coordinates: [ 0.648844875000000, 0.995363025000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 41 coordinates: [ 0.346518150000000, 0.351155125000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.846518150000000, 0.351155125000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.346518150000000, 0.851155125000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 44 coordinates: [ 0.846518150000000, 0.851155125000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 45 coordinates: [ 0.004636975000000, 0.153481850000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.504636975000000, 0.153481850000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.004636975000000, 0.653481850000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 48 coordinates: [ 0.504636975000000, 0.653481850000000, 0.596208940000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 49 coordinates: [ 0.171303640000000, 0.184488460000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.671303640000000, 0.184488460000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.171303640000000, 0.684488460000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 52 coordinates: [ 0.671303640000000, 0.684488460000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 53 coordinates: [ 0.315511540000000, 0.486815180000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.815511540000000, 0.486815180000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 55 coordinates: [ 0.315511540000000, 0.986815180000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 56 coordinates: [ 0.815511540000000, 0.986815180000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 57 coordinates: [ 0.013184820000000, 0.328696360000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.513184820000000, 0.328696360000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 59 coordinates: [ 0.013184820000000, 0.828696360000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 60 coordinates: [ 0.513184820000000, 0.828696360000000, 0.762875600000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 61 coordinates: [ 0.482178210000000, 0.162029695000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.982178210000000, 0.162029695000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.482178210000000, 0.662029695000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 64 coordinates: [ 0.982178210000000, 0.662029695000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 65 coordinates: [ 0.179851485000000, 0.017821790000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.679851485000000, 0.017821790000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 67 coordinates: [ 0.179851485000000, 0.517821790000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 68 coordinates: [ 0.679851485000000, 0.517821790000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 69 coordinates: [ 0.337970305000000, 0.320148515000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.837970305000000, 0.320148515000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 71 coordinates: [ 0.337970305000000, 0.820148515000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 72 coordinates: [ 0.837970305000000, 0.820148515000000, 0.929542270000000 ] mass: 15.999400 reduced_to: 21 - symbol: Zn # 73 coordinates: [ 0.333333335000000, 0.166666665000000, 0.048375750000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 74 coordinates: [ 0.833333335000000, 0.166666665000000, 0.048375750000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 75 coordinates: [ 0.333333335000000, 0.666666665000000, 0.048375750000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 76 coordinates: [ 0.833333335000000, 0.666666665000000, 0.048375750000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.215042420000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.215042420000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.215042420000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.215042420000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 81 coordinates: [ 0.166666665000000, 0.333333335000000, 0.381709090000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 82 coordinates: [ 0.666666665000000, 0.333333335000000, 0.381709090000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 83 coordinates: [ 0.166666665000000, 0.833333335000000, 0.381709090000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 84 coordinates: [ 0.666666665000000, 0.833333335000000, 0.381709090000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 85 coordinates: [ 0.333333335000000, 0.166666665000000, 0.548375750000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 86 coordinates: [ 0.833333335000000, 0.166666665000000, 0.548375750000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 87 coordinates: [ 0.333333335000000, 0.666666665000000, 0.548375750000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 88 coordinates: [ 0.833333335000000, 0.666666665000000, 0.548375750000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.715042420000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.715042420000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.715042420000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.715042420000000 ] mass: 65.380000 reduced_to: 73 - symbol: Zn # 93 coordinates: [ 0.166666665000000, 0.333333335000000, 0.881709090000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 94 coordinates: [ 0.666666665000000, 0.333333335000000, 0.881709090000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 95 coordinates: [ 0.166666665000000, 0.833333335000000, 0.881709090000000 ] mass: 65.380000 reduced_to: 77 - symbol: Zn # 96 coordinates: [ 0.666666665000000, 0.833333335000000, 0.881709090000000 ] mass: 65.380000 reduced_to: 77 - symbol: Sn # 97 coordinates: [ 0.333333335000000, 0.166666665000000, 0.331064120000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 98 coordinates: [ 0.833333335000000, 0.166666665000000, 0.331064120000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 99 coordinates: [ 0.333333335000000, 0.666666665000000, 0.331064120000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 100 coordinates: [ 0.833333335000000, 0.666666665000000, 0.331064120000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 101 coordinates: [ 0.166666665000000, 0.333333335000000, 0.164397460000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 102 coordinates: [ 0.666666665000000, 0.333333335000000, 0.164397460000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 103 coordinates: [ 0.166666665000000, 0.833333335000000, 0.164397460000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 104 coordinates: [ 0.666666665000000, 0.833333335000000, 0.164397460000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 105 coordinates: [ 0.166666665000000, 0.333333335000000, 0.664397460000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 106 coordinates: [ 0.666666665000000, 0.333333335000000, 0.664397460000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 107 coordinates: [ 0.166666665000000, 0.833333335000000, 0.664397460000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 108 coordinates: [ 0.666666665000000, 0.833333335000000, 0.664397460000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.497730790000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 110 coordinates: [ 0.500000000000000, 0.000000000000000, 0.497730790000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 111 coordinates: [ 0.000000000000000, 0.500000000000000, 0.497730790000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 112 coordinates: [ 0.500000000000000, 0.500000000000000, 0.497730790000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.997730790000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 114 coordinates: [ 0.500000000000000, 0.000000000000000, 0.997730790000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 115 coordinates: [ 0.000000000000000, 0.500000000000000, 0.997730790000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 116 coordinates: [ 0.500000000000000, 0.500000000000000, 0.997730790000000 ] mass: 118.710000 reduced_to: 97 - symbol: Sn # 117 coordinates: [ 0.333333335000000, 0.166666665000000, 0.831064120000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 118 coordinates: [ 0.833333335000000, 0.166666665000000, 0.831064120000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 119 coordinates: [ 0.333333335000000, 0.666666665000000, 0.831064120000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 120 coordinates: [ 0.833333335000000, 0.666666665000000, 0.831064120000000 ] mass: 118.710000 reduced_to: 101born_effective_charge:- # 1 (O) - [ -2.222161750000000, 0.194979050000000, -0.508513450000000 ] - [ 0.155867930000000, -2.149360010000000, 0.066702770000000 ] - [ -0.622322820000000, -0.029079730000000, -2.143714660000000 ]- # 2 (O) - [ -2.015639246239835, -0.036632106864448, 0.196490431675981 ] - [ -0.075743226854595, -2.355882513760164, -0.473736950856702 ] - [ 0.336345194914657, -0.524407506486233, -2.143714660000001 ]- # 3 (O) - [ -2.319481643760165, -0.099680263145498, 0.312023018324019 ] - [ -0.138791383132963, -2.052040116239835, 0.407034180856702 ] - [ 0.285977625085344, 0.553487236486233, -2.143714660000001 ]- # 4 (O) - [ -2.319481643760165, 0.099680263145498, -0.312023018324019 ] - [ 0.138791383132964, -2.052040116239835, 0.407034180856702 ] - [ -0.285977625085343, 0.553487236486233, -2.143714660000000 ]- # 5 (O) - [ -2.222161750000000, -0.194979050000000, 0.508513450000000 ] - [ -0.155867930000000, -2.149360010000000, 0.066702770000000 ] - [ 0.622322820000000, -0.029079730000000, -2.143714660000001 ]- # 6 (O) - [ -2.015639246239835, 0.036632106864447, -0.196490431675981 ] - [ 0.075743226854595, -2.355882513760165, -0.473736950856702 ] - [ -0.336345194914657, -0.524407506486233, -2.143714660000001 ]- # 7 (Zn) - [ 2.399560360000000, 0.058336300000000, -0.000000000000000 ] - [ -0.058336300000000, 2.399560360000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 2.230919400000000 ]- # 8 (Zn) - [ 2.399560360001075, -0.058336300001861, 0.000000000000000 ] - [ 0.058336299998139, 2.399560359998925, 0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 2.230919400000000 ]- # 9 (Sn) - [ 4.157722290000000, -0.316772680000000, 0.000000000000000 ] - [ 0.316772680000000, 4.157722290000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 4.200224570000000 ]- # 10 (Sn) - [ 4.157722289994165, 0.316772680010106, 0.000000000000000 ] - [ -0.316772679989894, 4.157722290005834, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 4.200224570000000 ]dielectric_constant: - [ 5.164694630000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.164694630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.352230380000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1453241500000000, 0.0039174200000000, -0.0694371400000000 ] - [ 0.0037397200000000, -0.0003351900000000, 0.0005245600000000 ] - [ 0.0000509700000000, -0.0028352400000000, -0.0002000000000000 ] - [ -0.0006201400000000, 0.0015874400000000, -0.0004488700000000 ] - [ 0.0071525100000000, -0.0085242400000000, -0.0024087700000000 ] - [ 0.0080046000000000, 0.0054934600000000, -0.0006001000000000 ] - [ -0.0037477500000000, -0.0031037500000000, -0.0010529500000000 ] - [ 0.0034046500000000, 0.0003830900000000, -0.0004451300000000 ] - [ 0.0110722100000000, 0.0062638900000000, -0.0029250500000000 ] - [ 0.0185340800000000, -0.0098069400000000, -0.0009982900000000 ] - [ 0.0023229700000000, 0.0002407600000000, -0.0004305900000000 ] - [ -0.0017972900000000, 0.0001799800000000, -0.0001233200000000 ] - [ 0.0025072800000000, -0.0002682200000000, 0.0020903500000000 ] - [ 0.0024436700000000, 0.0028486900000000, -0.0078263000000000 ] - [ -0.0005195900000000, 0.0008084600000000, -0.0007255100000000 ] - [ 0.0000698400000000, -0.0005586700000000, 0.0000597700000000 ] - [ -0.0022679800000000, -0.0043856200000000, 0.0068472900000000 ] - [ 0.0018614000000000, 0.0003564700000000, -0.0008851600000000 ] - [ -0.0003290300000000, -0.0010508300000000, -0.0007904700000000 ] - [ 0.0009161800000000, 0.0011900400000000, 0.0002534900000000 ] - [ -0.0001472700000000, 0.0066191900000000, 0.0078434300000000 ] - [ 0.0014673600000000, -0.0007200000000000, -0.0012242500000000 ] - [ 0.0009611600000000, -0.0011469800000000, 0.0003708200000000 ] - [ -0.0010414700000000, 0.0005158900000000, -0.0004485200000000 ] - [ 0.0001785700000000, 0.0002270500000000, 0.0001586100000000 ] - [ -0.0005611000000000, -0.0005381200000000, 0.0009323900000000 ] - [ 0.0007948500000000, 0.0001825900000000, 0.0012551800000000 ] - [ -0.0003824300000000, -0.0004252500000000, -0.0005193300000000 ] - [ 0.0007080400000000, -0.0001245500000000, 0.0000957600000000 ] - [ -0.0012331300000000, 0.0000512000000000, 0.0008527700000000 ] - [ 0.0000244100000000, 0.0002765300000000, 0.0002691200000000 ] - [ 0.0001037800000000, -0.0005281600000000, 0.0000139200000000 ] - [ 0.0005265200000000, -0.0002901600000000, 0.0009213400000000 ] - [ 0.0000411000000000, 0.0008844700000000, -0.0007500600000000 ] - [ -0.0006989000000000, 0.0006901900000000, 0.0010630900000000 ] - [ 0.0004527100000000, -0.0000863300000000, 0.0000502800000000 ] - [ -0.0001824400000000, -0.0000639500000000, 0.0005087400000000 ] - [ 0.0001766700000000, 0.0000291700000000, 0.0003131100000000 ] - [ 0.0000177600000000, -0.0000628100000000, 0.0003206700000000 ] - [ -0.0002851800000000, 0.0003607400000000, 0.0002681600000000 ] - [ 0.0003201000000000, -0.0000200100000000, 0.0002978800000000 ] - [ -0.0002626100000000, -0.0000863500000000, 0.0005592100000000 ] - [ 0.0001422800000000, 0.0001290300000000, 0.0002734200000000 ] - [ 0.0001419100000000, -0.0000746600000000, 0.0002903700000000 ] - [ -0.0001468200000000, 0.0000004500000000, 0.0004294200000000 ] - [ 0.0002392400000000, -0.0000186600000000, 0.0004046900000000 ] - [ -0.0002672000000000, -0.0002952100000000, 0.0002633300000000 ] - [ 0.0000840700000000, 0.0000712800000000, 0.0003734700000000 ] - [ -0.0003400800000000, -0.0000016500000000, -0.0002358900000000 ] - [ 0.0008394000000000, 0.0009201900000000, 0.0019588800000000 ] - [ -0.0005128000000000, 0.0001397000000000, -0.0000165200000000 ] - [ 0.0002222400000000, -0.0001820700000000, 0.0002169900000000 ] - [ 0.0000241900000000, -0.0002169400000000, -0.0001893300000000 ] - [ 0.0003242000000000, -0.0006710600000000, 0.0011603700000000 ] - [ 0.0003625000000000, 0.0000840900000000, 0.0000492200000000 ] - [ -0.0002752100000000, -0.0001214700000000, 0.0001019700000000 ] - [ -0.0013065000000000, -0.0000577500000000, 0.0008729000000000 ] - [ 0.0007573000000000, 0.0000975500000000, 0.0001075600000000 ] - [ 0.0000032400000000, -0.0003164500000000, 0.0003178100000000 ] - [ 0.0000619000000000, 0.0004444800000000, 0.0000313000000000 ] - [ 0.0017323400000000, 0.0004500500000000, 0.0004309300000000 ] - [ -0.0036334000000000, -0.0005841400000000, -0.0024158400000000 ] - [ -0.0000309600000000, 0.0011493800000000, -0.0013073200000000 ] - [ -0.0000149700000000, -0.0016904100000000, 0.0011805200000000 ] - [ 0.0009634500000000, -0.0008213600000000, -0.0013890600000000 ] - [ -0.0002861600000000, 0.0015771800000000, 0.0002560900000000 ] - [ -0.0022281600000000, 0.0017590600000000, -0.0024336200000000 ] - [ 0.0019051800000000, -0.0003243800000000, 0.0004840900000000 ] - [ 0.0008292000000000, -0.0006183100000000, -0.0014672000000000 ] - [ 0.0057134200000000, 0.0031542600000000, 0.0139314000000000 ] - [ -0.0002194100000000, 0.0001958300000000, 0.0001779200000000 ] - [ 0.0000271600000000, -0.0006544200000000, -0.0002398500000000 ] - [ -0.0041706600000000, -0.0001572500000000, 0.0013867800000000 ] - [ 0.0136381800000000, 0.0145161500000000, 0.0056960800000000 ] - [ 0.0021870500000000, -0.0039760000000000, 0.0012395800000000 ] - [ -0.0025341500000000, 0.0043373300000000, -0.0014325700000000 ] - [ -0.0000053000000000, 0.0031201600000000, -0.0003554400000000 ] - [ -0.0004752600000000, -0.0014739500000000, 0.0012451100000000 ] - [ 0.0070461200000000, 0.0018549000000000, 0.0036610800000000 ] - [ -0.0030467500000000, -0.0002069000000000, -0.0015262600000000 ] - [ -0.0005432200000000, 0.0000383700000000, -0.0023116100000000 ] - [ -0.0010562200000000, -0.0000303100000000, 0.0012040000000000 ] - [ 0.0002013800000000, 0.0000661600000000, 0.0000251400000000 ] - [ 0.0000442000000000, -0.0000325000000000, -0.0002101100000000 ] - [ -0.0003680500000000, 0.0000402200000000, -0.0004413600000000 ] - [ 0.0004259600000000, -0.0000553600000000, -0.0005320500000000 ] - [ -0.0000140000000000, -0.0001587000000000, -0.0006119800000000 ] - [ -0.0000619200000000, 0.0002148900000000, -0.0002324000000000 ] - [ 0.0000750500000000, 0.0001631400000000, -0.0002392800000000 ] - [ -0.0003042700000000, -0.0006688100000000, -0.0004838500000000 ] - [ 0.0004658800000000, 0.0003391600000000, -0.0007756000000000 ] - [ -0.0003154400000000, 0.0000246400000000, -0.0002740200000000 ] - [ 0.0003436900000000, 0.0000233400000000, 0.0020018900000000 ] - [ -0.0035054300000000, 0.0001447100000000, -0.0015218200000000 ] - [ 0.0001706700000000, 0.0009365000000000, -0.0002430300000000 ] - [ 0.0000260000000000, -0.0007292400000000, -0.0001704600000000 ] - [ -0.0023107600000000, 0.0004874100000000, -0.0006415700000000 ] - [ 0.0064907700000000, -0.0019343200000000, 0.0002799500000000 ] - [ -0.0014112900000000, -0.0040966800000000, -0.0017933600000000 ] - [ -0.0005810500000000, 0.0014781300000000, 0.0009401000000000 ] - [ 0.0695523900000000, -0.0055634200000000, 0.0299138400000000 ] - [ -0.0084585500000000, -0.0027316500000000, 0.0048566100000000 ] - [ -0.0009439500000000, 0.0024923200000000, 0.0013311200000000 ] - [ 0.0003390700000000, -0.0010772500000000, 0.0007449500000000 ] - [ 0.0005292700000000, -0.0000247000000000, -0.0005053300000000 ] - [ -0.0005871900000000, 0.0002965800000000, -0.0011786000000000 ] - [ 0.0000915100000000, 0.0000675200000000, -0.0004137400000000 ] - [ -0.0000007700000000, -0.0001714900000000, -0.0004097900000000 ] - [ -0.0002088500000000, 0.0005584600000000, -0.0009725400000000 ] - [ -0.0001890600000000, -0.0006467500000000, -0.0002490800000000 ] - [ 0.0010993700000000, 0.0002257800000000, -0.0006598500000000 ] - [ -0.0009410600000000, -0.0000123800000000, -0.0006133300000000 ] - [ 0.0025097400000000, 0.0045350900000000, 0.0038877400000000 ] - [ -0.0018415100000000, -0.0032782000000000, -0.0012272700000000 ] - [ 0.0194772500000000, -0.0075171900000000, 0.0125295700000000 ] - [ -0.0063848900000000, -0.0000148000000000, 0.0043972100000000 ] - [ -0.0014706200000000, 0.0000636200000000, 0.0006844000000000 ] - [ 0.0040662300000000, -0.0038954600000000, -0.0029488700000000 ] - [ 0.0002752200000000, -0.0004331200000000, 0.0004277100000000 ] - [ -0.0008889700000000, 0.0011928600000000, -0.0007258300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1415076300000000, -0.0035140900000000, 0.0673851400000000 ] - [ -0.0040577600000000, 0.0003432200000000, -0.0005170800000000 ] - [ -0.0003779600000000, 0.0028385900000000, 0.0002064100000000 ] - [ 0.0002836600000000, -0.0015656100000000, 0.0004506900000000 ] - [ -0.0068475800000000, 0.0080559200000000, 0.0023580000000000 ] - [ -0.0078775400000000, -0.0058261800000000, 0.0006057500000000 ] - [ 0.0039282800000000, 0.0026832400000000, 0.0010334600000000 ] - [ -0.0032165800000000, -0.0006524300000000, 0.0004449300000000 ] - [ -0.0107170400000000, -0.0058187300000000, 0.0028650100000000 ] - [ -0.0186490400000000, 0.0103074200000000, 0.0010101600000000 ] - [ -0.0021564100000000, 0.0000404000000000, 0.0004261300000000 ] - [ 0.0019315100000000, 0.0001766800000000, 0.0000979400000000 ] - [ -0.0026696800000000, 0.0004740200000000, -0.0020960100000000 ] - [ -0.0025811000000000, -0.0026393100000000, 0.0078617800000000 ] - [ 0.0003692500000000, -0.0006023100000000, 0.0007197100000000 ] - [ -0.0002139200000000, 0.0007656300000000, -0.0000568400000000 ] - [ 0.0024756500000000, 0.0043115600000000, -0.0067614500000000 ] - [ -0.0015941700000000, -0.0003590000000000, 0.0008811300000000 ] - [ 0.0006000000000000, 0.0010459700000000, 0.0007799300000000 ] - [ -0.0006556800000000, -0.0011858300000000, -0.0002517400000000 ] - [ -0.0000579800000000, -0.0067644400000000, -0.0077728700000000 ] - [ -0.0015976700000000, 0.0004970700000000, 0.0012247300000000 ] - [ -0.0010891000000000, 0.0009160300000000, -0.0003755100000000 ] - [ 0.0009062300000000, -0.0007398600000000, 0.0004364100000000 ] - [ -0.0005177600000000, -0.0001763300000000, -0.0001502000000000 ] - [ 0.0002198600000000, 0.0005859800000000, -0.0009174900000000 ] - [ -0.0011326400000000, -0.0001290000000000, -0.0012445600000000 ] - [ 0.0000429000000000, 0.0004772500000000, 0.0005256800000000 ] - [ -0.0005543000000000, -0.0001919000000000, -0.0000944500000000 ] - [ 0.0013802200000000, -0.0003653100000000, -0.0008475400000000 ] - [ 0.0001258900000000, -0.0005932900000000, -0.0002695000000000 ] - [ 0.0000489300000000, 0.0002090600000000, -0.0000161800000000 ] - [ -0.0003266500000000, 0.0005749700000000, -0.0009199400000000 ] - [ 0.0001571000000000, -0.0005937500000000, 0.0007450300000000 ] - [ 0.0008923400000000, -0.0003972400000000, -0.0010607200000000 ] - [ -0.0002536900000000, 0.0003750200000000, -0.0000521700000000 ] - [ 0.0000033200000000, 0.0003417400000000, -0.0004990800000000 ] - [ -0.0003561700000000, 0.0002489500000000, -0.0003053300000000 ] - [ -0.0001987500000000, 0.0003398400000000, -0.0003113100000000 ] - [ 0.0001049600000000, -0.0000821000000000, -0.0002585500000000 ] - [ 0.0000196300000000, 0.0000139200000000, -0.0002984500000000 ] - [ 0.0006036400000000, 0.0000783800000000, -0.0005611000000000 ] - [ 0.0001994400000000, -0.0001372400000000, -0.0002744500000000 ] - [ 0.0001996800000000, 0.0000669800000000, -0.0002918200000000 ] - [ -0.0000314000000000, -0.0002907900000000, -0.0004340700000000 ] - [ -0.0004163000000000, -0.0002732400000000, -0.0004097200000000 ] - [ 0.0000895000000000, 0.0000043900000000, -0.0002686900000000 ] - [ -0.0002620300000000, -0.0003622400000000, -0.0003787100000000 ] - [ 0.0000854600000000, 0.0000251600000000, 0.0002406900000000 ] - [ -0.0010900900000000, -0.0008991600000000, -0.0019533600000000 ] - [ 0.0002676100000000, -0.0001206000000000, 0.0000273600000000 ] - [ -0.0004719300000000, 0.0002054100000000, -0.0002132100000000 ] - [ 0.0001006600000000, -0.0000037800000000, 0.0001939900000000 ] - [ -0.0001898300000000, 0.0004457900000000, -0.0011621300000000 ] - [ -0.0002277200000000, -0.0003104700000000, -0.0000547100000000 ] - [ 0.0004075300000000, -0.0001008800000000, -0.0001027600000000 ] - [ 0.0014363400000000, 0.0002851300000000, -0.0008747300000000 ] - [ -0.0006285300000000, 0.0001291000000000, -0.0001163800000000 ] - [ 0.0001239900000000, 0.0005400700000000, -0.0003239700000000 ] - [ 0.0000634400000000, -0.0002172500000000, -0.0000383000000000 ] - [ -0.0019423300000000, -0.0001830400000000, -0.0004221600000000 ] - [ 0.0033681100000000, 0.0008713500000000, 0.0024479700000000 ] - [ -0.0001996300000000, -0.0008720200000000, 0.0012953100000000 ] - [ -0.0001820600000000, 0.0019456000000000, -0.0011675500000000 ] - [ -0.0006074900000000, 0.0008416800000000, 0.0013723600000000 ] - [ 0.0006431100000000, -0.0015421500000000, -0.0002519300000000 ] - [ 0.0025164000000000, -0.0017678600000000, 0.0024791400000000 ] - [ -0.0015500400000000, 0.0003517200000000, -0.0004960900000000 ] - [ -0.0009825300000000, 0.0002962300000000, 0.0014441700000000 ] - [ -0.0058583200000000, -0.0034967000000000, -0.0140372600000000 ] - [ 0.0000652400000000, -0.0005219800000000, -0.0001829500000000 ] - [ -0.0001781600000000, 0.0003432600000000, 0.0002350100000000 ] - [ 0.0041225900000000, 0.0001447500000000, -0.0015410600000000 ] - [ -0.0136331700000000, -0.0150365400000000, -0.0060823300000000 ] - [ -0.0021612200000000, 0.0039321200000000, -0.0013902000000000 ] - [ 0.0025138200000000, -0.0043653700000000, 0.0012816500000000 ] - [ 0.0000315200000000, -0.0030687200000000, 0.0002094200000000 ] - [ 0.0004924500000000, 0.0015054200000000, -0.0013881800000000 ] - [ -0.0070497700000000, -0.0017384300000000, -0.0036884400000000 ] - [ 0.0030501400000000, 0.0002345800000000, 0.0013666700000000 ] - [ 0.0005448000000000, -0.0000706300000000, 0.0021294600000000 ] - [ 0.0010542600000000, 0.0000024500000000, -0.0013754800000000 ] - [ -0.0001993000000000, -0.0000923700000000, -0.0001974100000000 ] - [ -0.0000414200000000, 0.0000038000000000, 0.0000355100000000 ] - [ 0.0003734300000000, -0.0000185000000000, 0.0002728600000000 ] - [ -0.0004194900000000, 0.0000769600000000, 0.0003636800000000 ] - [ 0.0000192200000000, 0.0001804700000000, 0.0004438200000000 ] - [ 0.0000664200000000, -0.0001928200000000, 0.0000655000000000 ] - [ -0.0000919900000000, -0.0001929700000000, 0.0000923500000000 ] - [ 0.0002851500000000, 0.0006391300000000, 0.0003373600000000 ] - [ -0.0004852800000000, -0.0003691200000000, 0.0006275800000000 ] - [ 0.0003003900000000, -0.0000544900000000, 0.0001292000000000 ] - [ -0.0002965800000000, -0.0000198700000000, -0.0021638200000000 ] - [ 0.0035193700000000, -0.0001314000000000, 0.0013474700000000 ] - [ -0.0001486900000000, -0.0009187900000000, 0.0000708200000000 ] - [ -0.0000007300000000, 0.0007354300000000, -0.0000013500000000 ] - [ 0.0023005000000000, -0.0004818800000000, 0.0007952500000000 ] - [ -0.0064684200000000, 0.0019238900000000, -0.0001066800000000 ] - [ 0.0014098100000000, 0.0040933500000000, 0.0019550100000000 ] - [ 0.0005712500000000, -0.0014787200000000, -0.0007804400000000 ] - [ -0.0656992600000000, 0.0051095500000000, -0.0272805200000000 ] - [ 0.0084620200000000, 0.0027473900000000, -0.0047206900000000 ] - [ 0.0009141700000000, -0.0024488800000000, -0.0011448200000000 ] - [ -0.0003498500000000, 0.0010511900000000, -0.0005743900000000 ] - [ -0.0005288900000000, 0.0000209100000000, 0.0006598400000000 ] - [ 0.0005847600000000, -0.0002972700000000, 0.0013365700000000 ] - [ -0.0000920800000000, -0.0000641100000000, 0.0005700800000000 ] - [ 0.0000014400000000, 0.0001714400000000, 0.0005674500000000 ] - [ 0.0002066700000000, -0.0005536600000000, 0.0011344000000000 ] - [ 0.0001874500000000, 0.0006487100000000, 0.0004152000000000 ] - [ -0.0010970100000000, -0.0002247800000000, 0.0008229100000000 ] - [ 0.0009407800000000, 0.0000141600000000, 0.0007761000000000 ] - [ -0.0024644000000000, -0.0045083000000000, -0.0036812300000000 ] - [ 0.0018348700000000, 0.0032811300000000, 0.0014051600000000 ] - [ -0.0195703800000000, 0.0079460700000000, -0.0127932200000000 ] - [ 0.0063473700000000, 0.0000114800000000, -0.0041835200000000 ] - [ 0.0014651100000000, -0.0000594400000000, -0.0005127200000000 ] - [ -0.0040755200000000, 0.0038898400000000, 0.0030898200000000 ] - [ -0.0002588800000000, 0.0004597600000000, -0.0002842100000000 ] - [ 0.0008825800000000, -0.0011935300000000, 0.0008885500000000 ]- atom: 1 displacement: [ -0.0049999999999202, 0.0086602540378904, 0.0000000000000000 ] forces: - [ 0.0750839500000000, -0.1083717900000000, 0.0486483000000000 ] - [ -0.0024108800000000, -0.0006997000000000, -0.0002975000000000 ] - [ -0.0027322000000000, 0.0040547500000000, -0.0004978800000000 ] - [ 0.0014315500000000, 0.0006024200000000, 0.0004608600000000 ] - [ -0.0094329500000000, 0.0068457600000000, 0.0018746200000000 ] - [ 0.0020031500000000, -0.0011950400000000, 0.0002802400000000 ] - [ 0.0005239500000000, 0.0217602600000000, 0.0023851300000000 ] - [ -0.0015683000000000, 0.0014893200000000, 0.0006570000000000 ] - [ -0.0012438800000000, -0.0033563500000000, 0.0010488700000000 ] - [ -0.0191033100000000, 0.0060549500000000, 0.0004291500000000 ] - [ -0.0005048000000000, 0.0029299900000000, -0.0003197800000000 ] - [ 0.0000568600000000, 0.0103548900000000, -0.0011752900000000 ] - [ -0.0016376300000000, -0.0007008200000000, -0.0011554000000000 ] - [ -0.0007553300000000, -0.0043545900000000, 0.0042616400000000 ] - [ 0.0009009100000000, 0.0007496300000000, 0.0016005000000000 ] - [ -0.0006869000000000, 0.0018634100000000, -0.0010528500000000 ] - [ -0.0002150600000000, 0.0044354800000000, -0.0112258500000000 ] - [ -0.0004416800000000, -0.0002769700000000, 0.0000470700000000 ] - [ -0.0009913600000000, 0.0011018000000000, 0.0018182600000000 ] - [ 0.0004498900000000, 0.0000513100000000, -0.0001771000000000 ] - [ 0.0047711000000000, -0.0029265400000000, 0.0030523800000000 ] - [ -0.0012857100000000, 0.0001530700000000, 0.0012719200000000 ] - [ -0.0014363200000000, 0.0012423800000000, -0.0004921000000000 ] - [ 0.0012171600000000, 0.0001336800000000, -0.0004353200000000 ] - [ -0.0005079600000000, 0.0001771200000000, -0.0000780700000000 ] - [ 0.0001427900000000, 0.0007130400000000, -0.0012838100000000 ] - [ 0.0001356500000000, -0.0001416500000000, 0.0001984000000000 ] - [ -0.0000705300000000, 0.0000029900000000, 0.0005279800000000 ] - [ -0.0002849100000000, -0.0003610600000000, -0.0000954700000000 ] - [ 0.0008995200000000, -0.0012581200000000, -0.0008570800000000 ] - [ 0.0003982500000000, -0.0000399400000000, 0.0000158600000000 ] - [ -0.0002644500000000, 0.0004495400000000, 0.0001847600000000 ] - [ -0.0007212300000000, 0.0004065100000000, -0.0009274300000000 ] - [ 0.0002586900000000, -0.0003588500000000, 0.0003533300000000 ] - [ 0.0002936100000000, -0.0001035500000000, 0.0001742900000000 ] - [ 0.0000608400000000, 0.0005267000000000, -0.0001218300000000 ] - [ -0.0001564800000000, -0.0000114800000000, -0.0001940400000000 ] - [ -0.0002332900000000, 0.0001776700000000, -0.0001278600000000 ] - [ -0.0002335300000000, 0.0003597400000000, -0.0001890100000000 ] - [ 0.0002437200000000, 0.0001023300000000, -0.0000967000000000 ] - [ 0.0001058400000000, -0.0003033900000000, -0.0001624600000000 ] - [ 0.0004557500000000, -0.0000643100000000, -0.0002816100000000 ] - [ 0.0002418400000000, 0.0001061900000000, -0.0001515600000000 ] - [ 0.0000665800000000, 0.0002077900000000, -0.0000976300000000 ] - [ -0.0000905200000000, -0.0003179300000000, -0.0002423000000000 ] - [ -0.0002074500000000, -0.0001885500000000, -0.0001808100000000 ] - [ -0.0001575100000000, -0.0000561200000000, -0.0001324300000000 ] - [ -0.0000517400000000, -0.0001030300000000, -0.0001211400000000 ] - [ -0.0004058700000000, -0.0002286600000000, 0.0006386800000000 ] - [ -0.0004669500000000, -0.0005321700000000, -0.0008645600000000 ] - [ -0.0004126100000000, 0.0003499700000000, -0.0007855400000000 ] - [ -0.0001214400000000, 0.0003585500000000, -0.0000740300000000 ] - [ 0.0006670300000000, -0.0006801500000000, -0.0008617300000000 ] - [ -0.0000357200000000, -0.0002374100000000, -0.0006207900000000 ] - [ -0.0002540000000000, 0.0001143400000000, 0.0001193900000000 ] - [ 0.0004563800000000, 0.0006090000000000, 0.0007509200000000 ] - [ 0.0006053600000000, -0.0007485200000000, 0.0000447900000000 ] - [ -0.0002948600000000, -0.0000370100000000, 0.0000002800000000 ] - [ -0.0002017000000000, 0.0006674100000000, -0.0002178800000000 ] - [ 0.0004202900000000, 0.0003002400000000, -0.0001946300000000 ] - [ -0.0007199300000000, -0.0000615900000000, 0.0000634100000000 ] - [ -0.0008164200000000, 0.0026213000000000, 0.0090590100000000 ] - [ 0.0008574700000000, 0.0001726100000000, 0.0005280800000000 ] - [ -0.0016588800000000, 0.0022095100000000, -0.0020492400000000 ] - [ -0.0012479100000000, 0.0010810200000000, 0.0014276000000000 ] - [ 0.0013113500000000, -0.0001748000000000, 0.0002785400000000 ] - [ 0.0051355400000000, 0.0013955100000000, -0.0056925300000000 ] - [ -0.0010036300000000, 0.0000817400000000, -0.0007280900000000 ] - [ -0.0006725900000000, -0.0009966900000000, 0.0007000400000000 ] - [ -0.0010356800000000, -0.0063355500000000, -0.0051295900000000 ] - [ 0.0003843800000000, 0.0010731800000000, -0.0005597800000000 ] - [ -0.0005229800000000, 0.0017270100000000, 0.0008231400000000 ] - [ 0.0041852400000000, 0.0004103700000000, -0.0013941800000000 ] - [ 0.0042345600000000, 0.0229151100000000, 0.0030392700000000 ] - [ -0.0050223300000000, -0.0001547600000000, 0.0004112100000000 ] - [ 0.0028099200000000, -0.0044288600000000, 0.0014168400000000 ] - [ 0.0017880900000000, -0.0038979800000000, 0.0010653000000000 ] - [ -0.0008137900000000, -0.0003244200000000, -0.0001086800000000 ] - [ -0.0017354800000000, 0.0020823500000000, -0.0051577400000000 ] - [ 0.0012718800000000, 0.0003559900000000, 0.0002768500000000 ] - [ 0.0005020500000000, 0.0020603700000000, 0.0013174700000000 ] - [ 0.0004890100000000, 0.0002505900000000, -0.0007862200000000 ] - [ 0.0001889200000000, -0.0006898500000000, -0.0005613100000000 ] - [ -0.0003422500000000, -0.0006001000000000, 0.0001900700000000 ] - [ 0.0003036800000000, 0.0000642100000000, 0.0001692700000000 ] - [ -0.0003571700000000, 0.0001837200000000, 0.0002727600000000 ] - [ -0.0000413400000000, 0.0000222800000000, -0.0000071700000000 ] - [ 0.0001518300000000, -0.0002099400000000, -0.0000715400000000 ] - [ 0.0002192500000000, -0.0003608200000000, -0.0003241500000000 ] - [ 0.0000726400000000, 0.0001564600000000, 0.0001120900000000 ] - [ -0.0001434200000000, 0.0002441300000000, 0.0004066600000000 ] - [ -0.0001688200000000, -0.0000310800000000, 0.0000933500000000 ] - [ 0.0003729100000000, 0.0035132500000000, -0.0017044000000000 ] - [ 0.0013805300000000, 0.0001993200000000, 0.0006336300000000 ] - [ 0.0004192400000000, -0.0015452100000000, 0.0004359000000000 ] - [ -0.0004866500000000, -0.0005601400000000, -0.0002568200000000 ] - [ 0.0017168800000000, -0.0001551500000000, 0.0006985700000000 ] - [ -0.0067420100000000, 0.0016098600000000, 0.0030964300000000 ] - [ -0.0008147700000000, 0.0002143100000000, -0.0006527300000000 ] - [ 0.0016698800000000, -0.0016823900000000, -0.0009441900000000 ] - [ -0.0338040600000000, 0.0156842700000000, -0.0144686700000000 ] - [ 0.0044422200000000, 0.0064801300000000, -0.0029760500000000 ] - [ 0.0042725200000000, -0.0079463300000000, -0.0039445200000000 ] - [ -0.0028547600000000, -0.0034693500000000, 0.0016245400000000 ] - [ 0.0000905100000000, 0.0007876500000000, 0.0003265900000000 ] - [ 0.0002488600000000, -0.0000221600000000, 0.0006376600000000 ] - [ 0.0001860300000000, -0.0005342200000000, 0.0005132800000000 ] - [ -0.0003935300000000, -0.0004075900000000, 0.0001330100000000 ] - [ 0.0005740600000000, -0.0006766900000000, 0.0010989900000000 ] - [ -0.0000579900000000, 0.0000315500000000, 0.0002129900000000 ] - [ -0.0004820400000000, 0.0005686300000000, 0.0000661400000000 ] - [ 0.0000474300000000, 0.0000956500000000, 0.0002826300000000 ] - [ 0.0022297000000000, -0.0070988000000000, -0.0037481100000000 ] - [ -0.0011820100000000, -0.0008669900000000, -0.0003061800000000 ] - [ -0.0191391100000000, 0.0328542300000000, -0.0250704000000000 ] - [ 0.0020588200000000, 0.0005855300000000, -0.0013233600000000 ] - [ 0.0011944100000000, 0.0002851400000000, -0.0006172200000000 ] - [ -0.0045848000000000, 0.0025783900000000, -0.0008976900000000 ] - [ -0.0015271800000000, -0.0019893100000000, 0.0021528700000000 ] - [ 0.0012901500000000, -0.0011731200000000, 0.0008612600000000 ]- atom: 1 displacement: [ 0.0049999999999202, -0.0086602540378904, 0.0000000000000000 ] forces: - [ -0.0747495100000000, 0.1069944300000000, -0.0473709600000000 ] - [ 0.0020721900000000, 0.0007193000000000, 0.0003024200000000 ] - [ 0.0023928200000000, -0.0040340700000000, 0.0005012400000000 ] - [ -0.0017551300000000, -0.0005813700000000, -0.0004557100000000 ] - [ 0.0097602700000000, -0.0072366800000000, -0.0019001800000000 ] - [ -0.0017758000000000, 0.0009250200000000, -0.0002943100000000 ] - [ -0.0002973100000000, -0.0216548300000000, -0.0023570000000000 ] - [ 0.0017228200000000, -0.0017878400000000, -0.0006589600000000 ] - [ 0.0013567900000000, 0.0036427000000000, -0.0010426600000000 ] - [ 0.0189063600000000, -0.0056668900000000, -0.0004084700000000 ] - [ 0.0006876200000000, -0.0026117800000000, 0.0003077600000000 ] - [ 0.0001081600000000, -0.0101614600000000, 0.0011845400000000 ] - [ 0.0014813200000000, 0.0009096300000000, 0.0011489800000000 ] - [ 0.0006527900000000, 0.0045458200000000, -0.0042797700000000 ] - [ -0.0010313300000000, -0.0005556400000000, -0.0015718700000000 ] - [ 0.0005435400000000, -0.0016661500000000, 0.0010641000000000 ] - [ 0.0004697000000000, -0.0044755000000000, 0.0113531100000000 ] - [ 0.0007054100000000, 0.0002818300000000, -0.0000539800000000 ] - [ 0.0012490000000000, -0.0011196200000000, -0.0018084600000000 ] - [ -0.0002018100000000, -0.0000636200000000, 0.0001727300000000 ] - [ -0.0049280900000000, 0.0026399700000000, -0.0031179400000000 ] - [ 0.0011519200000000, -0.0003749600000000, -0.0012671200000000 ] - [ 0.0013093000000000, -0.0014616700000000, 0.0004900400000000 ] - [ -0.0013483000000000, -0.0003499600000000, 0.0004293800000000 ] - [ 0.0001728900000000, -0.0001234800000000, 0.0000869300000000 ] - [ -0.0004774200000000, -0.0006601800000000, 0.0012961600000000 ] - [ -0.0004784100000000, 0.0001970000000000, -0.0002016100000000 ] - [ -0.0002631000000000, 0.0000470200000000, -0.0005205200000000 ] - [ 0.0004312100000000, 0.0000497100000000, 0.0000942700000000 ] - [ -0.0007526300000000, 0.0009510900000000, 0.0008565200000000 ] - [ -0.0002506800000000, -0.0002771000000000, -0.0000158500000000 ] - [ 0.0004122100000000, -0.0007628000000000, -0.0001840800000000 ] - [ 0.0009204700000000, -0.0001237900000000, 0.0009253400000000 ] - [ -0.0000602900000000, 0.0006476700000000, -0.0003609900000000 ] - [ -0.0000905400000000, 0.0003801200000000, -0.0001845300000000 ] - [ 0.0001344000000000, -0.0002470400000000, 0.0001203500000000 ] - [ -0.0000213300000000, 0.0002840900000000, 0.0001986400000000 ] - [ 0.0000540600000000, 0.0000955400000000, 0.0001327100000000 ] - [ 0.0000538400000000, -0.0000876800000000, 0.0001949200000000 ] - [ -0.0004223700000000, 0.0001725900000000, 0.0001032600000000 ] - [ 0.0002290700000000, 0.0003001600000000, 0.0001556100000000 ] - [ -0.0001176500000000, 0.0000578500000000, 0.0002766700000000 ] - [ 0.0000941300000000, -0.0001148800000000, 0.0001467600000000 ] - [ 0.0002705100000000, -0.0002158800000000, 0.0000925300000000 ] - [ -0.0000842200000000, 0.0000332100000000, 0.0002331400000000 ] - [ 0.0000333800000000, -0.0000977300000000, 0.0001742800000000 ] - [ -0.0000157600000000, -0.0002327900000000, 0.0001228900000000 ] - [ -0.0001230000000000, -0.0001879000000000, 0.0001110600000000 ] - [ 0.0001609600000000, 0.0002543500000000, -0.0006378800000000 ] - [ 0.0002235500000000, 0.0005572600000000, 0.0008710600000000 ] - [ 0.0001696600000000, -0.0003301300000000, 0.0007901200000000 ] - [ -0.0001249400000000, -0.0003360200000000, 0.0000740700000000 ] - [ -0.0005387600000000, 0.0004597400000000, 0.0008553500000000 ] - [ 0.0001679100000000, 0.0000113000000000, 0.0006156900000000 ] - [ 0.0003839200000000, -0.0003359200000000, -0.0001273700000000 ] - [ -0.0003284500000000, -0.0008315600000000, -0.0007578500000000 ] - [ -0.0004817300000000, 0.0009735000000000, -0.0000538600000000 ] - [ 0.0004192200000000, 0.0002584100000000, -0.0000104200000000 ] - [ 0.0003284400000000, -0.0004467100000000, 0.0002065400000000 ] - [ -0.0002946900000000, -0.0000801500000000, 0.0001858400000000 ] - [ 0.0005129000000000, 0.0003266100000000, -0.0000570400000000 ] - [ 0.0005921300000000, -0.0023631200000000, -0.0091171300000000 ] - [ -0.0010761200000000, 0.0000862200000000, -0.0005179900000000 ] - [ 0.0014598700000000, -0.0019664800000000, 0.0020569000000000 ] - [ 0.0015981900000000, -0.0010539400000000, -0.0014461800000000 ] - [ -0.0009663600000000, 0.0002126500000000, -0.0002726000000000 ] - [ -0.0047643600000000, -0.0014063500000000, 0.0056926100000000 ] - [ 0.0013479200000000, -0.0000556700000000, 0.0007152200000000 ] - [ 0.0005223500000000, 0.0006901500000000, -0.0007111800000000 ] - [ 0.0009249300000000, 0.0059632200000000, 0.0051367600000000 ] - [ -0.0005280800000000, -0.0013886600000000, 0.0005405700000000 ] - [ 0.0003758200000000, -0.0020412300000000, -0.0008351800000000 ] - [ -0.0042229300000000, -0.0004361000000000, 0.0012401000000000 ] - [ -0.0048241900000000, -0.0235231100000000, -0.0035411400000000 ] - [ 0.0049750000000000, 0.0001607200000000, -0.0005698200000000 ] - [ -0.0028156900000000, 0.0043983500000000, -0.0015697600000000 ] - [ -0.0017732800000000, 0.0039397100000000, -0.0012239500000000 ] - [ 0.0008259700000000, 0.0003441900000000, -0.0000314100000000 ] - [ 0.0016138100000000, -0.0018297700000000, 0.0052259400000000 ] - [ -0.0012417100000000, -0.0003288200000000, -0.0004137200000000 ] - [ -0.0004968300000000, -0.0021049700000000, -0.0014869600000000 ] - [ -0.0004940200000000, -0.0002767100000000, 0.0006175400000000 ] - [ -0.0001896500000000, 0.0006636100000000, 0.0003813900000000 ] - [ 0.0003478400000000, 0.0005732800000000, -0.0003637600000000 ] - [ -0.0002989200000000, -0.0000432500000000, -0.0003357500000000 ] - [ 0.0003637500000000, -0.0001628200000000, -0.0004382800000000 ] - [ 0.0000468800000000, 0.0000008700000000, -0.0001561600000000 ] - [ -0.0001471800000000, 0.0002326200000000, -0.0000947500000000 ] - [ -0.0002363300000000, 0.0003299600000000, 0.0001822500000000 ] - [ -0.0000922000000000, -0.0001879500000000, -0.0002554900000000 ] - [ 0.0001256300000000, -0.0002737800000000, -0.0005511600000000 ] - [ 0.0001523100000000, 0.0000017400000000, -0.0002363200000000 ] - [ -0.0003381200000000, -0.0035095900000000, 0.0015310800000000 ] - [ -0.0013692700000000, -0.0001851300000000, -0.0008060100000000 ] - [ -0.0003944900000000, 0.0015565100000000, -0.0005993200000000 ] - [ 0.0005178900000000, 0.0005708600000000, 0.0000866000000000 ] - [ -0.0017239300000000, 0.0001501500000000, -0.0005381300000000 ] - [ 0.0067592200000000, -0.0016278100000000, -0.0029280500000000 ] - [ 0.0008250800000000, -0.0001674900000000, 0.0008282100000000 ] - [ -0.0016692000000000, 0.0016848300000000, 0.0010977500000000 ] - [ 0.0349160500000000, -0.0155081200000000, 0.0153378600000000 ] - [ -0.0044518800000000, -0.0064231800000000, 0.0031134700000000 ] - [ -0.0042552800000000, 0.0079194000000000, 0.0040685500000000 ] - [ 0.0028696900000000, 0.0034812200000000, -0.0014739400000000 ] - [ -0.0000899800000000, -0.0007908500000000, -0.0001618900000000 ] - [ -0.0002506300000000, 0.0000225400000000, -0.0004754300000000 ] - [ -0.0001875100000000, 0.0005368000000000, -0.0003477600000000 ] - [ 0.0003962000000000, 0.0004081200000000, 0.0000316000000000 ] - [ -0.0005745900000000, 0.0006774100000000, -0.0009323400000000 ] - [ 0.0000559200000000, -0.0000303700000000, -0.0000437100000000 ] - [ 0.0004775600000000, -0.0005689800000000, 0.0001069000000000 ] - [ -0.0000411400000000, -0.0000932600000000, -0.0001112100000000 ] - [ -0.0022229600000000, 0.0071195700000000, 0.0039581100000000 ] - [ 0.0011614200000000, 0.0008467300000000, 0.0004754500000000 ] - [ 0.0181567400000000, -0.0313531600000000, 0.0233500000000000 ] - [ -0.0020325900000000, -0.0005921200000000, 0.0014801300000000 ] - [ -0.0011999900000000, -0.0002886800000000, 0.0007872500000000 ] - [ 0.0045937700000000, -0.0025904500000000, 0.0010486400000000 ] - [ 0.0015290500000000, 0.0020017600000000, -0.0019926200000000 ] - [ -0.0012910500000000, 0.0011766000000000, -0.0006874500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0685441900000000, 0.0153299800000000, -0.1042310800000000 ] - [ 0.0003574200000000, -0.0000371800000000, -0.0010633500000000 ] - [ -0.0003670500000000, -0.0006799300000000, -0.0011301100000000 ] - [ -0.0006102900000000, 0.0002783200000000, -0.0014843000000000 ] - [ 0.0019134500000000, -0.0024020400000000, -0.0042604300000000 ] - [ 0.0013977300000000, 0.0004821600000000, -0.0027578500000000 ] - [ 0.0006815600000000, -0.0009881800000000, -0.0065641000000000 ] - [ 0.0008270800000000, -0.0002070500000000, -0.0012719400000000 ] - [ 0.0019525500000000, 0.0017996800000000, -0.0042605400000000 ] - [ 0.0024588500000000, -0.0000301200000000, -0.0065469400000000 ] - [ 0.0007351500000000, 0.0002806800000000, -0.0012751100000000 ] - [ 0.0003631700000000, 0.0007095700000000, -0.0027670800000000 ] - [ 0.0019784500000000, -0.0000716900000000, 0.0000036300000000 ] - [ -0.0092099900000000, -0.0023529100000000, 0.0059538800000000 ] - [ -0.0005983300000000, 0.0013039900000000, -0.0011489200000000 ] - [ -0.0001293500000000, -0.0004272000000000, -0.0004913500000000 ] - [ 0.0026108200000000, -0.0080634100000000, 0.0094753900000000 ] - [ -0.0003645400000000, -0.0005513900000000, -0.0006753000000000 ] - [ -0.0001235500000000, 0.0004568400000000, -0.0008987000000000 ] - [ 0.0015151900000000, 0.0008625300000000, -0.0008775800000000 ] - [ 0.0088552700000000, 0.0110187400000000, 0.0132441300000000 ] - [ -0.0004353800000000, 0.0003144500000000, -0.0009528300000000 ] - [ 0.0005247400000000, -0.0007259200000000, -0.0004459500000000 ] - [ -0.0008132800000000, -0.0013582900000000, -0.0009122200000000 ] - [ 0.0000470600000000, 0.0000653700000000, 0.0006263500000000 ] - [ -0.0001874600000000, -0.0008988300000000, 0.0017329100000000 ] - [ 0.0017978100000000, 0.0001517600000000, 0.0026038000000000 ] - [ -0.0004066400000000, 0.0006276600000000, 0.0009682700000000 ] - [ 0.0002299200000000, -0.0000249900000000, 0.0006902500000000 ] - [ -0.0008511600000000, 0.0003195600000000, 0.0025050800000000 ] - [ -0.0000349200000000, 0.0001514300000000, 0.0006390800000000 ] - [ -0.0000434300000000, -0.0000954700000000, 0.0006123700000000 ] - [ 0.0008544900000000, -0.0004132400000000, 0.0014223500000000 ] - [ -0.0005212800000000, -0.0008437700000000, 0.0015706700000000 ] - [ -0.0007651500000000, 0.0008611100000000, 0.0020084700000000 ] - [ 0.0002224100000000, 0.0000097700000000, 0.0005410700000000 ] - [ 0.0001084300000000, -0.0003330200000000, 0.0017497600000000 ] - [ 0.0001030300000000, -0.0001179500000000, 0.0010295600000000 ] - [ 0.0000412300000000, -0.0001462100000000, 0.0010314800000000 ] - [ 0.0000127500000000, -0.0001113300000000, 0.0013590700000000 ] - [ -0.0001302000000000, -0.0000157300000000, 0.0014492200000000 ] - [ -0.0003923100000000, -0.0000023800000000, 0.0016059200000000 ] - [ -0.0001239200000000, 0.0000549700000000, 0.0011054500000000 ] - [ -0.0001061600000000, -0.0000196600000000, 0.0011047100000000 ] - [ 0.0001077600000000, 0.0002445200000000, 0.0014586600000000 ] - [ 0.0001710200000000, 0.0001424000000000, 0.0012569200000000 ] - [ 0.0000501200000000, 0.0000845200000000, 0.0013153000000000 ] - [ 0.0001446500000000, 0.0001951600000000, 0.0012577100000000 ] - [ -0.0006412900000000, 0.0003134400000000, 0.0009693900000000 ] - [ 0.0011259200000000, 0.0009600900000000, 0.0025881900000000 ] - [ 0.0008009000000000, -0.0009414300000000, 0.0017269700000000 ] - [ 0.0000342600000000, 0.0000053700000000, 0.0006272700000000 ] - [ -0.0011730900000000, 0.0003982100000000, 0.0019987500000000 ] - [ 0.0004543100000000, -0.0007438400000000, 0.0015679000000000 ] - [ 0.0001337000000000, -0.0000092200000000, 0.0005435900000000 ] - [ 0.0000704500000000, 0.0009553700000000, 0.0014223100000000 ] - [ -0.0007930000000000, -0.0003775000000000, 0.0024969500000000 ] - [ 0.0002437600000000, -0.0000141100000000, 0.0006132100000000 ] - [ 0.0000770200000000, -0.0002104200000000, 0.0006393800000000 ] - [ -0.0000343900000000, 0.0000537700000000, 0.0006894400000000 ] - [ 0.0009495800000000, 0.0006705600000000, -0.0004801900000000 ] - [ -0.0043530300000000, 0.0066774700000000, 0.0059038100000000 ] - [ -0.0016853400000000, 0.0000492000000000, -0.0011369900000000 ] - [ 0.0010515500000000, -0.0016273200000000, 0.0000224500000000 ] - [ -0.0000827900000000, -0.0000417900000000, -0.0008646400000000 ] - [ 0.0009562100000000, 0.0016512600000000, -0.0008853000000000 ] - [ -0.0065852600000000, -0.0090380300000000, 0.0093591200000000 ] - [ 0.0010522100000000, -0.0004352500000000, -0.0006671100000000 ] - [ -0.0009478000000000, -0.0001606100000000, -0.0009027900000000 ] - [ 0.0107219700000000, 0.0025383200000000, 0.0130322200000000 ] - [ -0.0000293400000000, -0.0015882600000000, -0.0009451900000000 ] - [ -0.0001890100000000, 0.0003450900000000, -0.0004348400000000 ] - [ -0.0009768600000000, -0.0001247800000000, 0.0015479500000000 ] - [ 0.0064160900000000, 0.0102774700000000, 0.0102120700000000 ] - [ 0.0010812800000000, 0.0006241300000000, 0.0030184300000000 ] - [ -0.0005510800000000, 0.0006516800000000, 0.0009128000000000 ] - [ -0.0012367200000000, 0.0029966300000000, 0.0022877200000000 ] - [ 0.0001116200000000, -0.0000983900000000, 0.0014656900000000 ] - [ 0.0043172300000000, -0.0044692200000000, 0.0037519000000000 ] - [ -0.0009185400000000, -0.0002025700000000, 0.0010511900000000 ] - [ -0.0016042500000000, 0.0004253200000000, -0.0032942000000000 ] - [ 0.0015023000000000, -0.0002231500000000, -0.0015575600000000 ] - [ 0.0002093500000000, -0.0004479100000000, -0.0003367300000000 ] - [ 0.0000079600000000, 0.0002931400000000, -0.0004783500000000 ] - [ -0.0002244800000000, 0.0000233000000000, -0.0012076400000000 ] - [ 0.0001635700000000, 0.0001167700000000, -0.0017991700000000 ] - [ -0.0000349400000000, -0.0001921200000000, -0.0015773800000000 ] - [ 0.0000456600000000, -0.0000158400000000, -0.0011422400000000 ] - [ 0.0002175300000000, -0.0002380400000000, -0.0013492800000000 ] - [ -0.0003193000000000, -0.0005264700000000, -0.0012051700000000 ] - [ -0.0001734100000000, 0.0003892900000000, -0.0019616200000000 ] - [ 0.0003635500000000, 0.0000929900000000, -0.0011756600000000 ] - [ 0.0035306900000000, -0.0008261100000000, -0.0029802900000000 ] - [ -0.0042781000000000, 0.0004606600000000, -0.0014260000000000 ] - [ -0.0002020600000000, 0.0006338200000000, -0.0002549100000000 ] - [ 0.0001742400000000, -0.0004487200000000, -0.0004408200000000 ] - [ -0.0010576100000000, 0.0005260600000000, -0.0007590200000000 ] - [ 0.0040354600000000, 0.0036017500000000, -0.0051924000000000 ] - [ -0.0026369900000000, -0.0066316700000000, -0.0030033300000000 ] - [ 0.0003620000000000, -0.0001289000000000, -0.0001876200000000 ] - [ 0.0318207200000000, -0.0041087600000000, 0.0282881000000000 ] - [ 0.0016225700000000, -0.0010134300000000, 0.0058255400000000 ] - [ -0.0005587600000000, 0.0005343800000000, 0.0030177000000000 ] - [ -0.0001249900000000, -0.0001361900000000, 0.0031242600000000 ] - [ 0.0004544300000000, -0.0003241300000000, -0.0032204900000000 ] - [ -0.0005013100000000, 0.0003160400000000, -0.0026852000000000 ] - [ -0.0001958300000000, 0.0004263900000000, -0.0021123100000000 ] - [ -0.0000863800000000, -0.0003417300000000, -0.0020740700000000 ] - [ -0.0004138900000000, 0.0005599900000000, -0.0025465600000000 ] - [ 0.0003514100000000, 0.0001788000000000, -0.0020127600000000 ] - [ 0.0007884600000000, -0.0003422900000000, -0.0033347600000000 ] - [ -0.0010148100000000, 0.0000069500000000, -0.0021643300000000 ] - [ 0.0027619600000000, -0.0019824700000000, 0.0052430500000000 ] - [ -0.0008922000000000, -0.0005803600000000, 0.0026207300000000 ] - [ 0.0097451000000000, -0.0138909100000000, 0.0315988600000000 ] - [ -0.0006488900000000, -0.0001559700000000, 0.0034354400000000 ] - [ -0.0000042700000000, -0.0002854200000000, -0.0003650800000000 ] - [ 0.0004096800000000, -0.0044590100000000, -0.0055707300000000 ] - [ 0.0023261600000000, 0.0041246900000000, -0.0034913100000000 ] - [ -0.0006243200000000, 0.0006766900000000, -0.0006841100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0682395100000000, -0.0165585600000000, 0.1045495900000000 ] - [ -0.0006881300000000, 0.0000537400000000, 0.0010687200000000 ] - [ 0.0000366800000000, 0.0007073100000000, 0.0011352700000000 ] - [ 0.0002854800000000, -0.0002610600000000, 0.0014899500000000 ] - [ -0.0017822700000000, 0.0021450100000000, 0.0042537600000000 ] - [ -0.0011826700000000, -0.0007555100000000, 0.0027587900000000 ] - [ -0.0004876400000000, 0.0006509000000000, 0.0065618000000000 ] - [ -0.0006547900000000, -0.0000783600000000, 0.0012717600000000 ] - [ -0.0018189600000000, -0.0015211400000000, 0.0042541100000000 ] - [ -0.0022809400000000, 0.0003014200000000, 0.0065786500000000 ] - [ -0.0005786600000000, 0.0000163400000000, 0.0012691600000000 ] - [ -0.0002115200000000, -0.0003491100000000, 0.0027489900000000 ] - [ -0.0021271500000000, 0.0002701900000000, -0.0000215700000000 ] - [ 0.0089646600000000, 0.0025255000000000, -0.0058868200000000 ] - [ 0.0004484400000000, -0.0010921900000000, 0.0011434900000000 ] - [ -0.0000113700000000, 0.0006297500000000, 0.0004847100000000 ] - [ -0.0023016000000000, 0.0079215200000000, -0.0093538200000000 ] - [ 0.0006186600000000, 0.0005480100000000, 0.0006614500000000 ] - [ 0.0003867900000000, -0.0004727300000000, 0.0008815100000000 ] - [ -0.0012439100000000, -0.0008612200000000, 0.0008581700000000 ] - [ -0.0088490800000000, -0.0110596800000000, -0.0130398800000000 ] - [ 0.0003023800000000, -0.0005307200000000, 0.0009386000000000 ] - [ -0.0006582700000000, 0.0005037800000000, 0.0004258600000000 ] - [ 0.0006833400000000, 0.0011347700000000, 0.0008931000000000 ] - [ -0.0003850300000000, -0.0000129900000000, -0.0006235100000000 ] - [ -0.0001473600000000, 0.0009458800000000, -0.0017232300000000 ] - [ -0.0021166200000000, -0.0001017400000000, -0.0025829800000000 ] - [ 0.0000681600000000, -0.0005718500000000, -0.0009650000000000 ] - [ -0.0000800600000000, -0.0002876100000000, -0.0006956700000000 ] - [ 0.0009969500000000, -0.0006337000000000, -0.0025036700000000 ] - [ 0.0001838000000000, -0.0004654500000000, -0.0006444800000000 ] - [ 0.0001934600000000, -0.0002195000000000, -0.0006200300000000 ] - [ -0.0006531300000000, 0.0006956300000000, -0.0014277000000000 ] - [ 0.0007157000000000, 0.0011262100000000, -0.0015744400000000 ] - [ 0.0009523300000000, -0.0005702300000000, -0.0020042600000000 ] - [ -0.0000230000000000, 0.0002739900000000, -0.0005495400000000 ] - [ -0.0002862100000000, 0.0006062500000000, -0.0017442400000000 ] - [ -0.0002819000000000, 0.0003919800000000, -0.0010265100000000 ] - [ -0.0002195700000000, 0.0004192100000000, -0.0010254800000000 ] - [ -0.0001897100000000, 0.0003844700000000, -0.0013526400000000 ] - [ 0.0004675300000000, 0.0000074700000000, -0.0014555800000000 ] - [ 0.0007290900000000, -0.0000039600000000, -0.0016118000000000 ] - [ 0.0004612900000000, -0.0000616300000000, -0.0011100600000000 ] - [ 0.0004441300000000, 0.0000099300000000, -0.0011102500000000 ] - [ -0.0002814900000000, -0.0005316300000000, -0.0014683700000000 ] - [ -0.0003484800000000, -0.0004292200000000, -0.0012659400000000 ] - [ -0.0002273600000000, -0.0003716700000000, -0.0013247200000000 ] - [ -0.0003170200000000, -0.0004814800000000, -0.0012650700000000 ] - [ 0.0004019600000000, -0.0002925600000000, -0.0009630700000000 ] - [ -0.0013779700000000, -0.0009458900000000, -0.0025977300000000 ] - [ -0.0010522100000000, 0.0009701100000000, -0.0017283700000000 ] - [ -0.0002771800000000, 0.0000180100000000, -0.0006222500000000 ] - [ 0.0013106200000000, -0.0006232700000000, -0.0020128000000000 ] - [ -0.0003257900000000, 0.0005291700000000, -0.0015766100000000 ] - [ -0.0000051300000000, -0.0002102300000000, -0.0005457900000000 ] - [ 0.0000592900000000, -0.0011795100000000, -0.0014271600000000 ] - [ 0.0009220800000000, 0.0005989400000000, -0.0025097600000000 ] - [ -0.0001224800000000, 0.0002346700000000, -0.0006187500000000 ] - [ 0.0000473900000000, 0.0004315900000000, -0.0006433700000000 ] - [ 0.0001580400000000, 0.0001665100000000, -0.0006956500000000 ] - [ -0.0011694400000000, -0.0004132400000000, 0.0004964600000000 ] - [ 0.0041860100000000, -0.0065037200000000, -0.0059360700000000 ] - [ 0.0014844000000000, 0.0002145400000000, 0.0011576000000000 ] - [ -0.0012543400000000, 0.0018793700000000, -0.0000005100000000 ] - [ 0.0004266900000000, 0.0000702300000000, 0.0008721400000000 ] - [ -0.0006111700000000, -0.0016286300000000, 0.0008957500000000 ] - [ 0.0070272200000000, 0.0091764700000000, -0.0094693000000000 ] - [ -0.0007103900000000, 0.0004688300000000, 0.0006725500000000 ] - [ 0.0008012900000000, -0.0001533600000000, 0.0009045900000000 ] - [ -0.0110677600000000, -0.0029195100000000, -0.0132502300000000 ] - [ -0.0001214100000000, 0.0012880200000000, 0.0009485600000000 ] - [ 0.0000452900000000, -0.0006555100000000, 0.0004380800000000 ] - [ 0.0009761900000000, 0.0001126300000000, -0.0017302500000000 ] - [ -0.0065708000000000, -0.0104623300000000, -0.0103403800000000 ] - [ -0.0010968900000000, -0.0006348300000000, -0.0032081400000000 ] - [ 0.0005317000000000, -0.0006649100000000, -0.0010920400000000 ] - [ 0.0012476200000000, -0.0029592500000000, -0.0023975200000000 ] - [ -0.0000951100000000, 0.0001244600000000, -0.0015953900000000 ] - [ -0.0044089800000000, 0.0047385700000000, -0.0036163600000000 ] - [ 0.0009374800000000, 0.0002329700000000, -0.0011763400000000 ] - [ 0.0015993300000000, -0.0004473600000000, 0.0031130500000000 ] - [ -0.0014944900000000, 0.0001935500000000, 0.0013839300000000 ] - [ -0.0002036500000000, 0.0004166000000000, 0.0001704600000000 ] - [ -0.0000058100000000, -0.0003216000000000, 0.0003104500000000 ] - [ 0.0002294400000000, 0.0000001500000000, 0.0010428800000000 ] - [ -0.0001574200000000, -0.0000935200000000, 0.0016337900000000 ] - [ 0.0000395300000000, 0.0002112700000000, 0.0014107000000000 ] - [ -0.0000395200000000, 0.0000367200000000, 0.0009783300000000 ] - [ -0.0002360300000000, 0.0002090800000000, 0.0012053700000000 ] - [ 0.0003032800000000, 0.0004986400000000, 0.0010610400000000 ] - [ 0.0001569100000000, -0.0004212900000000, 0.0018204600000000 ] - [ -0.0003841100000000, -0.0001234900000000, 0.0010309700000000 ] - [ -0.0035247300000000, 0.0008498100000000, 0.0028185500000000 ] - [ 0.0043308700000000, -0.0004542900000000, 0.0012554600000000 ] - [ 0.0002321400000000, -0.0006265400000000, 0.0000782800000000 ] - [ -0.0001495100000000, 0.0004603600000000, 0.0002648600000000 ] - [ 0.0010543500000000, -0.0005216300000000, 0.0009358200000000 ] - [ -0.0040171500000000, -0.0035840600000000, 0.0053458800000000 ] - [ 0.0026234600000000, 0.0065983600000000, 0.0031639500000000 ] - [ -0.0003658200000000, 0.0001258600000000, 0.0003656900000000 ] - [ -0.0307244700000000, 0.0040457000000000, -0.0278734000000000 ] - [ -0.0016338900000000, 0.0010154500000000, -0.0056275500000000 ] - [ 0.0005595800000000, -0.0005251900000000, -0.0028249000000000 ] - [ 0.0001079600000000, 0.0001224600000000, -0.0029295500000000 ] - [ -0.0004557000000000, 0.0003271300000000, 0.0033878000000000 ] - [ 0.0005055000000000, -0.0003186600000000, 0.0028526100000000 ] - [ 0.0001977900000000, -0.0004303600000000, 0.0022754100000000 ] - [ 0.0000858600000000, 0.0003427200000000, 0.0022373300000000 ] - [ 0.0004109700000000, -0.0005547900000000, 0.0027182200000000 ] - [ -0.0003499200000000, -0.0001764900000000, 0.0021866400000000 ] - [ -0.0007831400000000, 0.0003441500000000, 0.0035038300000000 ] - [ 0.0010076700000000, -0.0000054000000000, 0.0023375800000000 ] - [ -0.0027644500000000, 0.0019678000000000, -0.0051247000000000 ] - [ 0.0008888200000000, 0.0005719100000000, -0.0024774100000000 ] - [ -0.0106091900000000, 0.0151632300000000, -0.0323937300000000 ] - [ 0.0006585500000000, 0.0001571600000000, -0.0032953300000000 ] - [ 0.0000040600000000, 0.0002885700000000, 0.0005209500000000 ] - [ -0.0004252000000000, 0.0044881400000000, 0.0057483100000000 ] - [ -0.0023371300000000, -0.0041434600000000, 0.0036646400000000 ] - [ 0.0006245800000000, -0.0006813600000000, 0.0008412800000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0043114500000000, 0.0024745700000000, -0.0009812900000000 ] - [ 0.0134711000000000, 0.0133125400000000, 0.0065597300000000 ] - [ 0.0020077500000000, -0.0044984100000000, 0.0010853300000000 ] - [ -0.0026816100000000, 0.0018030900000000, -0.0005447600000000 ] - [ 0.0405464500000000, 0.0013572000000000, -0.0116028400000000 ] - [ -0.0049044400000000, -0.0003128200000000, -0.0011058100000000 ] - [ 0.0003500300000000, 0.0025485200000000, 0.0005849900000000 ] - [ 0.0001771300000000, -0.0029819300000000, -0.0003052100000000 ] - [ 0.0024382900000000, 0.0039846800000000, -0.0000043800000000 ] - [ -0.0016524900000000, -0.0010958400000000, 0.0003760500000000 ] - [ 0.0180413600000000, -0.0174349700000000, 0.0058730100000000 ] - [ -0.0051496100000000, -0.0026441200000000, 0.0008333200000000 ] - [ 0.0027908500000000, 0.0015878400000000, 0.0024807400000000 ] - [ -0.0016210700000000, 0.0000404100000000, -0.0006578200000000 ] - [ -0.0005937700000000, 0.0019585100000000, -0.0025427300000000 ] - [ -0.0003099300000000, -0.0007785500000000, 0.0004730000000000 ] - [ -0.0033878100000000, 0.0004378300000000, 0.0042975200000000 ] - [ 0.0004491000000000, -0.0005900700000000, -0.0035358800000000 ] - [ 0.0002844600000000, -0.0005602800000000, 0.0002095200000000 ] - [ 0.0001400900000000, 0.0005741900000000, -0.0001690600000000 ] - [ -0.0003191700000000, 0.0010625900000000, 0.0004218800000000 ] - [ -0.0008436400000000, -0.0015450500000000, -0.0017602700000000 ] - [ 0.0033307800000000, -0.0018639000000000, 0.0010309600000000 ] - [ -0.0014281700000000, -0.0000430100000000, -0.0003214200000000 ] - [ 0.0003127300000000, 0.0001460900000000, -0.0001680600000000 ] - [ -0.0004755000000000, -0.0003348200000000, 0.0003741600000000 ] - [ -0.0000816200000000, 0.0003522400000000, 0.0002299500000000 ] - [ -0.0004589400000000, -0.0000491800000000, -0.0003135300000000 ] - [ 0.0007770000000000, -0.0003788500000000, -0.0002773100000000 ] - [ -0.0004631800000000, 0.0003664100000000, 0.0005976400000000 ] - [ -0.0001427400000000, -0.0001392000000000, -0.0002825300000000 ] - [ 0.0000822200000000, -0.0003717800000000, 0.0000738900000000 ] - [ 0.0003941600000000, -0.0001182700000000, 0.0004296200000000 ] - [ -0.0003146100000000, 0.0002482800000000, -0.0003128000000000 ] - [ 0.0002086000000000, 0.0005618700000000, -0.0002933600000000 ] - [ 0.0001642800000000, -0.0001135900000000, -0.0000995500000000 ] - [ -0.0001910100000000, 0.0003188400000000, -0.0001237300000000 ] - [ -0.0000600300000000, -0.0000149200000000, 0.0001584500000000 ] - [ 0.0002355600000000, 0.0000096800000000, -0.0000080500000000 ] - [ -0.0003563200000000, 0.0002212000000000, 0.0000450200000000 ] - [ 0.0005845900000000, 0.0001783100000000, -0.0001623600000000 ] - [ -0.0002072500000000, -0.0001366900000000, 0.0002220000000000 ] - [ 0.0001508500000000, 0.0000576600000000, 0.0000315700000000 ] - [ 0.0000990700000000, -0.0001308500000000, -0.0000449200000000 ] - [ -0.0002525600000000, -0.0002268400000000, -0.0001987400000000 ] - [ 0.0000473000000000, -0.0000366300000000, 0.0001667100000000 ] - [ -0.0000427100000000, -0.0003467600000000, -0.0001083500000000 ] - [ -0.0000585700000000, 0.0000112800000000, -0.0000076700000000 ] - [ -0.0006663900000000, 0.0002749100000000, -0.0016068300000000 ] - [ -0.0011717600000000, -0.0000319200000000, 0.0014982800000000 ] - [ 0.0000836700000000, 0.0003502900000000, 0.0002066100000000 ] - [ -0.0000731700000000, -0.0003600600000000, 0.0000038000000000 ] - [ -0.0000084500000000, 0.0004827400000000, -0.0005769200000000 ] - [ -0.0002625400000000, -0.0004857600000000, 0.0002629900000000 ] - [ 0.0018921700000000, 0.0012099300000000, 0.0004220500000000 ] - [ -0.0006140600000000, -0.0005025700000000, -0.0002747200000000 ] - [ -0.0006173200000000, 0.0005367500000000, -0.0004805100000000 ] - [ 0.0016164000000000, -0.0011617400000000, 0.0011708600000000 ] - [ 0.0000450400000000, -0.0004726700000000, -0.0009379500000000 ] - [ -0.0002716200000000, 0.0003434300000000, 0.0002546500000000 ] - [ 0.0025320400000000, -0.0006923100000000, 0.0060622600000000 ] - [ -0.0043892700000000, 0.0007612100000000, -0.0031905000000000 ] - [ -0.0004442300000000, 0.0014745200000000, -0.0002726300000000 ] - [ 0.0000092800000000, -0.0010156100000000, 0.0001528400000000 ] - [ 0.0072049900000000, -0.0021440100000000, -0.0044090200000000 ] - [ -0.0028854800000000, 0.0003345300000000, 0.0009258100000000 ] - [ -0.0003159500000000, 0.0012466200000000, -0.0001047600000000 ] - [ 0.0001520000000000, -0.0020166200000000, 0.0012377200000000 ] - [ 0.0058562400000000, 0.0022956400000000, -0.0018390300000000 ] - [ -0.0022915500000000, -0.0006396700000000, -0.0000457800000000 ] - [ 0.0000990900000000, 0.0028336400000000, 0.0019521300000000 ] - [ -0.0008570100000000, -0.0016803600000000, -0.0006563600000000 ] - [ -0.1080051300000000, 0.0003567800000000, -0.0007386600000000 ] - [ 0.0046906500000000, 0.0001185700000000, -0.0003726600000000 ] - [ 0.0010904500000000, -0.0021956000000000, 0.0000295500000000 ] - [ 0.0008834900000000, 0.0020578400000000, 0.0000981000000000 ] - [ 0.0022756500000000, 0.0052724300000000, -0.0059374100000000 ] - [ 0.0032821200000000, -0.0014632300000000, 0.0035027200000000 ] - [ 0.0007463800000000, -0.0004545000000000, -0.0000646600000000 ] - [ -0.0030387400000000, 0.0010370100000000, 0.0022409600000000 ] - [ -0.0000227000000000, -0.0005717300000000, -0.0010638000000000 ] - [ 0.0003436100000000, 0.0003497000000000, 0.0008637500000000 ] - [ -0.0006346600000000, 0.0002079200000000, -0.0000498700000000 ] - [ 0.0003610200000000, 0.0001574000000000, -0.0000804700000000 ] - [ -0.0003637100000000, 0.0000075700000000, -0.0000803300000000 ] - [ 0.0004071100000000, 0.0000132200000000, -0.0001905300000000 ] - [ 0.0000157500000000, -0.0002150900000000, -0.0000286800000000 ] - [ 0.0000158600000000, 0.0002371500000000, -0.0000264000000000 ] - [ 0.0003365200000000, 0.0003298500000000, 0.0005498100000000 ] - [ -0.0000351100000000, -0.0005893900000000, -0.0008873200000000 ] - [ 0.0003496100000000, -0.0001872000000000, -0.0000728900000000 ] - [ -0.0006471400000000, 0.0001898800000000, 0.0001319500000000 ] - [ 0.0022909900000000, -0.0020339700000000, 0.0025447200000000 ] - [ 0.0033019000000000, 0.0047015400000000, -0.0031578800000000 ] - [ -0.0030413700000000, 0.0021969000000000, 0.0003436200000000 ] - [ 0.0007517900000000, -0.0004690300000000, -0.0000813300000000 ] - [ -0.0041626800000000, 0.0005155800000000, 0.0000793600000000 ] - [ 0.0030492400000000, 0.0000061300000000, -0.0004795400000000 ] - [ 0.0004151300000000, -0.0017054600000000, 0.0004335100000000 ] - [ 0.0002511400000000, 0.0014313100000000, 0.0003155600000000 ] - [ 0.0089867700000000, -0.0149593000000000, -0.0110169100000000 ] - [ 0.0097355900000000, 0.0067463100000000, 0.0081037100000000 ] - [ -0.0093964500000000, -0.0035124900000000, 0.0032471400000000 ] - [ 0.0022516100000000, 0.0016904200000000, 0.0000909300000000 ] - [ 0.0001481300000000, -0.0004993000000000, 0.0009511800000000 ] - [ 0.0001278900000000, 0.0004554800000000, -0.0008885000000000 ] - [ -0.0006872500000000, -0.0000407300000000, 0.0001900300000000 ] - [ 0.0004413900000000, 0.0000541600000000, 0.0000867100000000 ] - [ -0.0001473300000000, 0.0003319800000000, -0.0001698400000000 ] - [ 0.0000504000000000, -0.0000663400000000, 0.0003464100000000 ] - [ 0.0004015200000000, -0.0002883200000000, 0.0000892000000000 ] - [ -0.0003932900000000, -0.0000435700000000, 0.0000955700000000 ] - [ 0.0192938000000000, 0.0188192600000000, 0.0099007700000000 ] - [ 0.0205910600000000, -0.0155237900000000, -0.0047608600000000 ] - [ 0.0013589500000000, -0.0009891200000000, 0.0000940200000000 ] - [ -0.0097898100000000, 0.0007757300000000, -0.0049321200000000 ] - [ -0.0143584900000000, -0.0004694100000000, 0.0001166500000000 ] - [ 0.0038443200000000, 0.0003469900000000, 0.0007598600000000 ] - [ 0.0008031400000000, -0.0018329100000000, -0.0004943800000000 ] - [ 0.0004332500000000, 0.0018959700000000, -0.0000083900000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0039783500000000, -0.0024542700000000, 0.0009739300000000 ] - [ -0.0138073900000000, -0.0128949600000000, -0.0064284600000000 ] - [ -0.0023440200000000, 0.0045332900000000, -0.0010885600000000 ] - [ 0.0023649700000000, -0.0017821000000000, 0.0005421100000000 ] - [ -0.0434768300000000, -0.0018292500000000, 0.0128834600000000 ] - [ 0.0050513800000000, 0.0000306400000000, 0.0010782700000000 ] - [ -0.0001760500000000, -0.0028456300000000, -0.0005948000000000 ] - [ -0.0000029800000000, 0.0027022100000000, 0.0002976000000000 ] - [ -0.0022870900000000, -0.0037026300000000, -0.0000061400000000 ] - [ 0.0018195800000000, 0.0013890300000000, -0.0003906900000000 ] - [ -0.0176513700000000, 0.0169882600000000, -0.0055940000000000 ] - [ 0.0053064400000000, 0.0029407300000000, -0.0008467700000000 ] - [ -0.0029418400000000, -0.0013893400000000, -0.0024872700000000 ] - [ 0.0014750300000000, 0.0001572700000000, 0.0006528700000000 ] - [ 0.0004507200000000, -0.0017666900000000, 0.0025555400000000 ] - [ 0.0001661600000000, 0.0009810600000000, -0.0004729400000000 ] - [ 0.0036391500000000, -0.0004412200000000, -0.0043022600000000 ] - [ -0.0001853100000000, 0.0005940700000000, 0.0035204100000000 ] - [ -0.0000303000000000, 0.0005623600000000, -0.0002211900000000 ] - [ 0.0001156400000000, -0.0005718900000000, 0.0001579700000000 ] - [ 0.0001918000000000, -0.0012802300000000, -0.0004412200000000 ] - [ 0.0007206100000000, 0.0013309000000000, 0.0017557500000000 ] - [ -0.0034672700000000, 0.0016448200000000, -0.0010423600000000 ] - [ 0.0013025100000000, -0.0001740600000000, 0.0003059300000000 ] - [ -0.0006443400000000, -0.0000922800000000, 0.0001679700000000 ] - [ 0.0001386600000000, 0.0003899200000000, -0.0003696800000000 ] - [ -0.0002513600000000, -0.0002854200000000, -0.0002250100000000 ] - [ 0.0001273000000000, 0.0001023800000000, 0.0003156500000000 ] - [ -0.0006275600000000, 0.0000664300000000, 0.0002669600000000 ] - [ 0.0005980100000000, -0.0006794700000000, -0.0005993800000000 ] - [ 0.0002905100000000, -0.0001719200000000, 0.0002784100000000 ] - [ 0.0000642600000000, 0.0000624000000000, -0.0000799000000000 ] - [ -0.0001933500000000, 0.0003927100000000, -0.0004361500000000 ] - [ 0.0005140700000000, 0.0000356300000000, 0.0003038000000000 ] - [ -0.0000107400000000, -0.0002777900000000, 0.0002847700000000 ] - [ 0.0000327200000000, 0.0003997400000000, 0.0000927700000000 ] - [ 0.0000145500000000, -0.0000457600000000, 0.0001258200000000 ] - [ -0.0001206100000000, 0.0002811400000000, -0.0001526300000000 ] - [ -0.0004207200000000, 0.0002584300000000, 0.0000147300000000 ] - [ 0.0001781900000000, 0.0000519200000000, -0.0000408400000000 ] - [ -0.0002515400000000, -0.0001737600000000, 0.0001584400000000 ] - [ 0.0005408400000000, 0.0001295400000000, -0.0002298400000000 ] - [ 0.0001857800000000, -0.0000623700000000, -0.0000390900000000 ] - [ 0.0002346700000000, 0.0001321800000000, 0.0000410500000000 ] - [ 0.0000779000000000, -0.0000629400000000, 0.0001888300000000 ] - [ -0.0002114700000000, -0.0002498000000000, -0.0001749800000000 ] - [ -0.0001265200000000, 0.0000616400000000, 0.0000987000000000 ] - [ -0.0001142800000000, -0.0002957900000000, -0.0000025900000000 ] - [ 0.0004162700000000, -0.0002504000000000, 0.0016014100000000 ] - [ 0.0009306800000000, 0.0000542100000000, -0.0014927800000000 ] - [ -0.0003236600000000, -0.0003215600000000, -0.0002055200000000 ] - [ -0.0001682500000000, 0.0003861200000000, -0.0000039200000000 ] - [ 0.0001335400000000, -0.0006960200000000, 0.0005641400000000 ] - [ 0.0003875800000000, 0.0002682000000000, -0.0002725500000000 ] - [ -0.0017597100000000, -0.0014237700000000, -0.0004234900000000 ] - [ 0.0007407800000000, 0.0002856900000000, 0.0002704900000000 ] - [ 0.0007436400000000, -0.0003179700000000, 0.0004770600000000 ] - [ -0.0014876300000000, 0.0013767500000000, -0.0011795100000000 ] - [ 0.0000796000000000, 0.0006941900000000, 0.0009240400000000 ] - [ 0.0004000200000000, -0.0001234700000000, -0.0002656000000000 ] - [ -0.0025240600000000, 0.0009481100000000, -0.0062753500000000 ] - [ 0.0041832000000000, -0.0004950800000000, 0.0032111600000000 ] - [ 0.0002250300000000, -0.0012109400000000, 0.0002787500000000 ] - [ -0.0002276800000000, 0.0012731100000000, -0.0001447500000000 ] - [ -0.0068852200000000, 0.0021244700000000, 0.0043225600000000 ] - [ 0.0032221000000000, -0.0002911900000000, -0.0009261000000000 ] - [ 0.0006584500000000, -0.0012128300000000, 0.0001025100000000 ] - [ 0.0001983800000000, 0.0020574200000000, -0.0012473400000000 ] - [ -0.0060236600000000, -0.0025797400000000, 0.0017767700000000 ] - [ 0.0021544200000000, 0.0003191500000000, 0.0000432200000000 ] - [ -0.0002412900000000, -0.0031421200000000, -0.0019641000000000 ] - [ 0.0007123800000000, 0.0013678200000000, 0.0006497000000000 ] - [ 0.1108401500000000, 0.0003499200000000, -0.0007739900000000 ] - [ -0.0046890700000000, -0.0001323700000000, 0.0002069000000000 ] - [ -0.0011105000000000, 0.0021852200000000, -0.0001937000000000 ] - [ -0.0009064400000000, -0.0020745100000000, -0.0002629200000000 ] - [ -0.0022739900000000, -0.0052506200000000, 0.0058153000000000 ] - [ -0.0032756400000000, 0.0014734900000000, -0.0036286700000000 ] - [ -0.0007293200000000, 0.0004885000000000, -0.0000704400000000 ] - [ 0.0030633800000000, -0.0010158300000000, -0.0023879200000000 ] - [ 0.0000271100000000, 0.0005436100000000, 0.0008948000000000 ] - [ -0.0003427900000000, -0.0003739000000000, -0.0010326300000000 ] - [ 0.0006379800000000, -0.0002350000000000, -0.0001230500000000 ] - [ -0.0003574200000000, -0.0001867100000000, -0.0000864800000000 ] - [ 0.0003680200000000, 0.0000174600000000, -0.0000838600000000 ] - [ -0.0003999300000000, 0.0000116500000000, 0.0000245600000000 ] - [ -0.0000097600000000, 0.0002364900000000, -0.0001367100000000 ] - [ -0.0000101600000000, -0.0002143100000000, -0.0001376700000000 ] - [ -0.0003506900000000, -0.0003583000000000, -0.0006918900000000 ] - [ 0.0000164200000000, 0.0005582900000000, 0.0007451400000000 ] - [ -0.0003677900000000, 0.0001594300000000, -0.0000729500000000 ] - [ 0.0006256000000000, -0.0002181000000000, -0.0002716300000000 ] - [ -0.0022575200000000, 0.0020623200000000, -0.0027320900000000 ] - [ -0.0032574400000000, -0.0046609400000000, 0.0029628900000000 ] - [ 0.0030610000000000, -0.0021773100000000, -0.0005079700000000 ] - [ -0.0007240800000000, 0.0004743300000000, -0.0000862200000000 ] - [ 0.0041582200000000, -0.0005136500000000, 0.0000730100000000 ] - [ -0.0030464200000000, -0.0000037500000000, 0.0006575500000000 ] - [ -0.0004177000000000, 0.0017068400000000, -0.0002616100000000 ] - [ -0.0002526100000000, -0.0014300500000000, -0.0001446400000000 ] - [ -0.0090674300000000, 0.0150096600000000, 0.0112745500000000 ] - [ -0.0097178800000000, -0.0066560000000000, -0.0078621000000000 ] - [ 0.0094139100000000, 0.0035591900000000, -0.0030975100000000 ] - [ -0.0022495000000000, -0.0016997200000000, 0.0000822600000000 ] - [ -0.0001413500000000, 0.0005011300000000, -0.0007832000000000 ] - [ -0.0001283900000000, -0.0004468000000000, 0.0010500500000000 ] - [ 0.0006855100000000, 0.0000381900000000, -0.0000243400000000 ] - [ -0.0004406700000000, -0.0000576000000000, 0.0000817200000000 ] - [ 0.0001507800000000, -0.0003291300000000, 0.0003439600000000 ] - [ -0.0000520200000000, 0.0000688100000000, -0.0001730400000000 ] - [ -0.0004015400000000, 0.0002913400000000, 0.0000848300000000 ] - [ 0.0003947300000000, 0.0000450900000000, 0.0000830400000000 ] - [ -0.0195050000000000, -0.0190369300000000, -0.0098193200000000 ] - [ -0.0203961000000000, 0.0152963200000000, 0.0048833000000000 ] - [ -0.0013600300000000, 0.0010005600000000, 0.0000872300000000 ] - [ 0.0097972200000000, -0.0008511200000000, 0.0051277400000000 ] - [ 0.0143036400000000, 0.0004764700000000, 0.0001121200000000 ] - [ -0.0038486600000000, -0.0003465800000000, -0.0006014700000000 ] - [ -0.0007996400000000, 0.0018300500000000, 0.0006617300000000 ] - [ -0.0004380100000000, -0.0018944200000000, 0.0001796200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012969800000000, -0.0006605100000000, 0.0016332400000000 ] - [ 0.0057740300000000, 0.0072760200000000, 0.0102554800000000 ] - [ 0.0011566100000000, 0.0013356200000000, 0.0031102400000000 ] - [ -0.0015159900000000, 0.0009492200000000, 0.0010009600000000 ] - [ -0.0091882400000000, 0.0013624500000000, 0.0102554800000000 ] - [ -0.0017349900000000, 0.0003338500000000, 0.0031102400000000 ] - [ -0.0000764700000000, 0.0014534700000000, 0.0016332400000000 ] - [ -0.0000640500000000, -0.0017875000000000, 0.0010009600000000 ] - [ 0.0005783700000000, -0.0016694700000000, 0.0031102400000000 ] - [ -0.0012205100000000, -0.0007929600000000, 0.0016332400000000 ] - [ 0.0034142100000000, -0.0086384700000000, 0.0102554800000000 ] - [ 0.0015800400000000, 0.0008382800000000, 0.0010009600000000 ] - [ 0.0015609300000000, -0.0013823600000000, -0.0029102800000000 ] - [ -0.0005905700000000, -0.0000167100000000, -0.0001692300000000 ] - [ -0.0007895500000000, 0.0013417000000000, -0.0013348600000000 ] - [ 0.0001017300000000, 0.0002981300000000, -0.0003541800000000 ] - [ 0.0015567200000000, 0.0000129200000000, -0.0013348600000000 ] - [ -0.0019776300000000, -0.0006606300000000, -0.0029102800000000 ] - [ 0.0002808200000000, 0.0005198100000000, -0.0001692300000000 ] - [ 0.0002073200000000, -0.0002371600000000, -0.0003541800000000 ] - [ 0.0003097600000000, -0.0005031000000000, -0.0001692300000000 ] - [ -0.0007671700000000, -0.0013546200000000, -0.0013348600000000 ] - [ 0.0004166900000000, 0.0020429900000000, -0.0029102800000000 ] - [ -0.0003090500000000, -0.0000609600000000, -0.0003541800000000 ] - [ -0.0008740700000000, 0.0001714200000000, -0.0018970300000000 ] - [ -0.0003664300000000, 0.0000965200000000, -0.0011075300000000 ] - [ -0.0003326100000000, -0.0003675000000000, -0.0012814200000000 ] - [ -0.0005768000000000, -0.0000029300000000, -0.0011387400000000 ] - [ 0.0002885900000000, -0.0008426800000000, -0.0018970300000000 ] - [ 0.0002909400000000, -0.0004980600000000, -0.0011387400000000 ] - [ 0.0000996300000000, -0.0003655900000000, -0.0011075300000000 ] - [ 0.0004845700000000, -0.0001043000000000, -0.0012814200000000 ] - [ 0.0005854900000000, 0.0006712600000000, -0.0018970300000000 ] - [ -0.0001519600000000, 0.0004718000000000, -0.0012814200000000 ] - [ 0.0002858600000000, 0.0005009900000000, -0.0011387400000000 ] - [ 0.0002668000000000, 0.0002690800000000, -0.0011075300000000 ] - [ -0.0003361100000000, 0.0004013300000000, -0.0011316600000000 ] - [ -0.0001670200000000, 0.0007013600000000, -0.0014975600000000 ] - [ -0.0004449800000000, 0.0004505300000000, -0.0017195900000000 ] - [ -0.0001027400000000, 0.0003012200000000, -0.0010663000000000 ] - [ 0.0006126600000000, 0.0001601000000000, -0.0017195900000000 ] - [ 0.0005156200000000, 0.0000904200000000, -0.0011316600000000 ] - [ 0.0006909100000000, -0.0002060400000000, -0.0014975600000000 ] - [ 0.0003122300000000, -0.0000616400000000, -0.0010663000000000 ] - [ -0.0005238900000000, -0.0004953200000000, -0.0014975600000000 ] - [ -0.0001676800000000, -0.0006106300000000, -0.0017195900000000 ] - [ -0.0001795100000000, -0.0004917400000000, -0.0011316600000000 ] - [ -0.0002095000000000, -0.0002395800000000, -0.0010663000000000 ] - [ -0.0023388800000000, 0.0003416100000000, -0.0032072300000000 ] - [ 0.0011640000000000, -0.0000592900000000, -0.0014789700000000 ] - [ -0.0000042100000000, -0.0004655200000000, -0.0002602300000000 ] - [ -0.0002448200000000, 0.0002548700000000, -0.0004000400000000 ] - [ -0.0005306500000000, 0.0010377000000000, -0.0014789700000000 ] - [ 0.0004052600000000, 0.0002291100000000, -0.0002602300000000 ] - [ 0.0008736000000000, -0.0021963400000000, -0.0032072300000000 ] - [ -0.0000983200000000, -0.0003394600000000, -0.0004000400000000 ] - [ -0.0004010500000000, 0.0002364100000000, -0.0002602300000000 ] - [ 0.0014652900000000, 0.0018547200000000, -0.0032072300000000 ] - [ -0.0006333500000000, -0.0009784100000000, -0.0014789700000000 ] - [ 0.0003431400000000, 0.0000845800000000, -0.0004000400000000 ] - [ 0.0052241700000000, -0.0011116300000000, 0.0035240500000000 ] - [ -0.0012447400000000, -0.0002036000000000, 0.0023354100000000 ] - [ -0.0004493900000000, 0.0016004700000000, 0.0011070900000000 ] - [ -0.0000665900000000, -0.0013648900000000, 0.0015251400000000 ] - [ -0.0035747900000000, -0.0039684500000000, 0.0035240500000000 ] - [ 0.0016107400000000, -0.0004110500000000, 0.0011070900000000 ] - [ -0.0011487400000000, 0.0007401100000000, 0.0015251400000000 ] - [ 0.0004460500000000, 0.0011797800000000, 0.0023354100000000 ] - [ -0.0016493800000000, 0.0050800800000000, 0.0035240500000000 ] - [ 0.0012153300000000, 0.0006247800000000, 0.0015251400000000 ] - [ 0.0007986900000000, -0.0009761800000000, 0.0023354100000000 ] - [ -0.0011613500000000, -0.0011894200000000, 0.0011070900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0516876800000000 ] - [ -0.0002876000000000, 0.0000392000000000, -0.0027013500000000 ] - [ 0.0001098600000000, -0.0002686700000000, -0.0027013500000000 ] - [ 0.0001777500000000, 0.0002294700000000, -0.0027013500000000 ] - [ -0.0026485800000000, -0.0020098600000000, 0.0012059400000000 ] - [ 0.0030648800000000, -0.0012888100000000, 0.0012059400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002223800000000 ] - [ -0.0004163000000000, 0.0032986700000000, 0.0012059400000000 ] - [ -0.0008249800000000, 0.0002432500000000, 0.0015927600000000 ] - [ 0.0006231500000000, 0.0005928300000000, 0.0015927600000000 ] - [ 0.0002018300000000, -0.0008360800000000, 0.0015927600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007550900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017617700000000 ] - [ 0.0001068100000000, 0.0000018200000000, 0.0011728800000000 ] - [ -0.0000549800000000, 0.0000915900000000, 0.0011728800000000 ] - [ -0.0000518200000000, -0.0000934100000000, 0.0011728800000000 ] - [ 0.0009443300000000, 0.0005850900000000, 0.0016086500000000 ] - [ -0.0009788600000000, 0.0005252700000000, 0.0016086500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007690500000000 ] - [ 0.0000345400000000, -0.0011103600000000, 0.0016086500000000 ] - [ 0.0058660300000000, -0.0007162300000000, 0.0011994600000000 ] - [ -0.0035532900000000, -0.0047220200000000, 0.0011994600000000 ] - [ -0.0023127400000000, 0.0054382400000000, 0.0011994600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002377500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0089532600000000 ] - [ -0.0003158700000000, -0.0000747200000000, 0.0018369900000000 ] - [ 0.0002226400000000, -0.0002361900000000, 0.0018369900000000 ] - [ 0.0000932300000000, 0.0003109100000000, 0.0018369900000000 ] - [ -0.0069866500000000, 0.0064071600000000, 0.0016901100000000 ] - [ 0.0090420900000000, 0.0028470300000000, 0.0016901100000000 ] - [ -0.0020554400000000, -0.0092542000000000, 0.0016901100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001460400000000 ] - [ 0.0010224000000000, -0.0007823400000000, 0.0031511700000000 ] - [ -0.0011887300000000, -0.0004942600000000, 0.0031511700000000 ] - [ 0.0001663200000000, 0.0012766000000000, 0.0031511700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017536200000000 ] - [ -0.0001982500000000, -0.0001052100000000, 0.0029310500000000 ] - [ 0.0001902300000000, -0.0001190800000000, 0.0029310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023188500000000 ] - [ 0.0000080100000000, 0.0002242900000000, 0.0029310500000000 ] - [ 0.0099680800000000, -0.0004081400000000, -0.0144054700000000 ] - [ -0.0046305800000000, 0.0088366800000000, -0.0144054700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0046618500000000 ] - [ -0.0053375000000000, -0.0084285400000000, -0.0144054700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0323523300000000 ] - [ -0.0006765000000000, -0.0000361900000000, -0.0000550300000000 ] - [ 0.0003695900000000, -0.0005677700000000, -0.0000550300000000 ] - [ 0.0003069100000000, 0.0006039600000000, -0.0000550300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0016368300000000, 0.0006763100000000, -0.0016424400000000 ] - [ -0.0060157100000000, -0.0071332800000000, -0.0102948200000000 ] - [ -0.0014830600000000, -0.0013324200000000, -0.0031146300000000 ] - [ 0.0011936600000000, -0.0009472100000000, -0.0010043700000000 ] - [ 0.0091854600000000, -0.0016431200000000, -0.0102948200000000 ] - [ 0.0018954400000000, -0.0006181500000000, -0.0031146300000000 ] - [ 0.0002327100000000, -0.0017556900000000, -0.0016424400000000 ] - [ 0.0002234800000000, 0.0015073400000000, -0.0010043700000000 ] - [ -0.0004123800000000, 0.0019505700000000, -0.0031146300000000 ] - [ 0.0014041100000000, 0.0010793800000000, -0.0016424400000000 ] - [ -0.0031697500000000, 0.0087764000000000, -0.0102948200000000 ] - [ -0.0014171400000000, -0.0005601300000000, -0.0010043700000000 ] - [ -0.0016724300000000, 0.0015714300000000, 0.0028935700000000 ] - [ 0.0004514800000000, 0.0002264300000000, 0.0001660800000000 ] - [ 0.0006558200000000, -0.0011341500000000, 0.0013483200000000 ] - [ -0.0002332400000000, -0.0000870600000000, 0.0003537800000000 ] - [ -0.0013101100000000, -0.0000008800000000, 0.0013483200000000 ] - [ 0.0021971200000000, 0.0006626500000000, 0.0028935700000000 ] - [ -0.0000296500000000, -0.0005042100000000, 0.0001660800000000 ] - [ 0.0000412300000000, 0.0002455200000000, 0.0003537800000000 ] - [ -0.0004218400000000, 0.0002777800000000, 0.0001660800000000 ] - [ 0.0006542900000000, 0.0011350300000000, 0.0013483200000000 ] - [ -0.0005246900000000, -0.0022340800000000, 0.0028935700000000 ] - [ 0.0001920100000000, -0.0001584600000000, 0.0003537800000000 ] - [ 0.0005273800000000, -0.0001322200000000, 0.0018888900000000 ] - [ 0.0000291100000000, -0.0000589800000000, 0.0011043100000000 ] - [ -0.0000061400000000, 0.0004009500000000, 0.0012763400000000 ] - [ 0.0002397900000000, 0.0000401400000000, 0.0011343500000000 ] - [ -0.0001491800000000, 0.0005228300000000, 0.0018888900000000 ] - [ -0.0001546600000000, 0.0001875900000000, 0.0011343500000000 ] - [ 0.0000365200000000, 0.0000546900000000, 0.0011043100000000 ] - [ -0.0003441700000000, -0.0002057900000000, 0.0012763400000000 ] - [ -0.0003781900000000, -0.0003906100000000, 0.0018888900000000 ] - [ 0.0003503000000000, -0.0001951600000000, 0.0012763400000000 ] - [ -0.0000851300000000, -0.0002277400000000, 0.0011343500000000 ] - [ -0.0000656300000000, 0.0000042800000000, 0.0011043100000000 ] - [ 0.0001707300000000, -0.0001204300000000, 0.0011250500000000 ] - [ -0.0000069300000000, -0.0004217100000000, 0.0014948500000000 ] - [ 0.0002743300000000, -0.0001651200000000, 0.0017175600000000 ] - [ -0.0000704800000000, -0.0000181700000000, 0.0010605900000000 ] - [ -0.0002801600000000, -0.0001550200000000, 0.0017175600000000 ] - [ -0.0001896600000000, -0.0000876400000000, 0.0011250500000000 ] - [ -0.0003617500000000, 0.0002168500000000, 0.0014948500000000 ] - [ 0.0000195100000000, 0.0000701200000000, 0.0010605900000000 ] - [ 0.0003686800000000, 0.0002048600000000, 0.0014948500000000 ] - [ 0.0000058300000000, 0.0003201400000000, 0.0017175600000000 ] - [ 0.0000189300000000, 0.0002080700000000, 0.0011250500000000 ] - [ 0.0000509800000000, -0.0000519600000000, 0.0010605900000000 ] - [ 0.0020976000000000, -0.0003391000000000, 0.0032063800000000 ] - [ -0.0014168200000000, 0.0000662400000000, 0.0014692400000000 ] - [ -0.0002382200000000, 0.0004807500000000, 0.0002530500000000 ] - [ -0.0000036400000000, -0.0002503100000000, 0.0003938500000000 ] - [ 0.0006510400000000, -0.0012601200000000, 0.0014692400000000 ] - [ -0.0002972300000000, -0.0004466800000000, 0.0002530500000000 ] - [ -0.0007551300000000, 0.0019861300000000, 0.0032063800000000 ] - [ 0.0002185900000000, 0.0001220000000000, 0.0003938500000000 ] - [ 0.0005354500000000, -0.0000340700000000, 0.0002530500000000 ] - [ -0.0013424700000000, -0.0016470300000000, 0.0032063800000000 ] - [ 0.0007657800000000, 0.0011938800000000, 0.0014692400000000 ] - [ -0.0002149500000000, 0.0001283100000000, 0.0003938500000000 ] - [ -0.0051520900000000, 0.0013868300000000, -0.0038394400000000 ] - [ 0.0010478100000000, 0.0004781000000000, -0.0023467000000000 ] - [ 0.0002454000000000, -0.0013313000000000, -0.0011157300000000 ] - [ -0.0001371900000000, 0.0016405000000000, -0.0015328700000000 ] - [ 0.0037770700000000, 0.0037684300000000, -0.0038394400000000 ] - [ -0.0012756400000000, 0.0004531200000000, -0.0011157300000000 ] - [ 0.0014893100000000, -0.0007014400000000, -0.0015328700000000 ] - [ -0.0001098600000000, -0.0011464800000000, -0.0023467000000000 ] - [ 0.0013750200000000, -0.0051552600000000, -0.0038394400000000 ] - [ -0.0013521200000000, -0.0009390600000000, -0.0015328700000000 ] - [ -0.0009379600000000, 0.0006683800000000, -0.0023467000000000 ] - [ 0.0010302400000000, 0.0008781700000000, -0.0011157300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0529162900000000 ] - [ 0.0002889600000000, -0.0000396700000000, 0.0025421100000000 ] - [ -0.0001101200000000, 0.0002700800000000, 0.0025421100000000 ] - [ -0.0001788400000000, -0.0002304100000000, 0.0025421100000000 ] - [ 0.0026273000000000, 0.0020176200000000, -0.0013656800000000 ] - [ -0.0030609600000000, 0.0012665000000000, -0.0013656800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000786700000000 ] - [ 0.0004336500000000, -0.0032841200000000, -0.0013656800000000 ] - [ 0.0008140900000000, -0.0002425500000000, -0.0017651000000000 ] - [ -0.0006171000000000, -0.0005837500000000, -0.0017651000000000 ] - [ -0.0001969900000000, 0.0008263000000000, -0.0017651000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009289200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019286900000000 ] - [ -0.0001078200000000, -0.0000001200000000, -0.0013345700000000 ] - [ 0.0000540100000000, -0.0000933100000000, -0.0013345700000000 ] - [ 0.0000538000000000, 0.0000934300000000, -0.0013345700000000 ] - [ -0.0009469800000000, -0.0005889100000000, -0.0017512800000000 ] - [ 0.0009835000000000, -0.0005256500000000, -0.0017512800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009124700000000 ] - [ -0.0000365200000000, 0.0011145600000000, -0.0017512800000000 ] - [ -0.0058854600000000, 0.0007256600000000, -0.0013728100000000 ] - [ 0.0035711800000000, 0.0047341300000000, -0.0013728100000000 ] - [ 0.0023142900000000, -0.0054597900000000, -0.0013728100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000686200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0087093900000000 ] - [ 0.0003232000000000, 0.0000731400000000, -0.0016664300000000 ] - [ -0.0002249400000000, 0.0002433300000000, -0.0016664300000000 ] - [ -0.0000982600000000, -0.0003164700000000, -0.0016664300000000 ] - [ 0.0069574000000000, -0.0064257900000000, -0.0015704800000000 ] - [ -0.0090436000000000, -0.0028123900000000, -0.0015704800000000 ] - [ 0.0020862000000000, 0.0092381900000000, -0.0015704800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003100600000000 ] - [ -0.0010311500000000, 0.0007892000000000, -0.0029778300000000 ] - [ 0.0011990500000000, 0.0004984000000000, -0.0029778300000000 ] - [ -0.0001678900000000, -0.0012876100000000, -0.0029778300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015787300000000 ] - [ 0.0001896000000000, 0.0001009400000000, -0.0027472600000000 ] - [ -0.0001822100000000, 0.0001137300000000, -0.0027472600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021424300000000 ] - [ -0.0000073800000000, -0.0002146700000000, -0.0027472600000000 ] - [ -0.0099534700000000, 0.0004306700000000, 0.0146707700000000 ] - [ 0.0046037700000000, -0.0088352900000000, 0.0146707700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048665000000000 ] - [ 0.0053497000000000, 0.0084046200000000, 0.0146707700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327054200000000 ] - [ 0.0006789800000000, 0.0000393500000000, 0.0002319800000000 ] - [ -0.0003735700000000, 0.0005683400000000, 0.0002319800000000 ] - [ -0.0003054100000000, -0.0006076900000000, 0.0002319800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0024675600000000, 0.0006588600000000, -0.0010507500000000 ] - [ 0.0063155100000000, -0.0040514400000000, 0.0040341100000000 ] - [ -0.0015862300000000, -0.0017505700000000, -0.0026356700000000 ] - [ -0.0007434500000000, 0.0016014400000000, 0.0003697100000000 ] - [ -0.0003194600000000, -0.0021974800000000, -0.0051186000000000 ] - [ -0.0044022000000000, 0.0021611400000000, 0.0070331200000000 ] - [ 0.0000867200000000, 0.0007017000000000, 0.0000691000000000 ] - [ 0.0004551000000000, -0.0010770000000000, -0.0000695300000000 ] - [ 0.0006584000000000, 0.0031100000000000, -0.0044305100000000 ] - [ -0.0009107200000000, -0.0010983100000000, 0.0009794300000000 ] - [ 0.0048696400000000, 0.0030719700000000, 0.0010986700000000 ] - [ -0.0022060700000000, -0.0003364000000000, -0.0002862400000000 ] - [ 0.0304135000000000, -0.0260092200000000, 0.0188153700000000 ] - [ -0.0090646700000000, -0.0020955100000000, -0.0007205100000000 ] - [ 0.0032991600000000, 0.0042010600000000, 0.0016994200000000 ] - [ -0.0016512700000000, -0.0020619800000000, 0.0000525000000000 ] - [ -0.0082977500000000, -0.0002629700000000, -0.0016129200000000 ] - [ 0.0697650900000000, 0.0008726300000000, -0.0325836800000000 ] - [ -0.0008013300000000, -0.0043938400000000, 0.0005645800000000 ] - [ 0.0004744900000000, 0.0031105600000000, 0.0001113100000000 ] - [ -0.0031316000000000, 0.0035836000000000, 0.0001859900000000 ] - [ 0.0011418100000000, -0.0084536800000000, -0.0000648400000000 ] - [ 0.0254900500000000, 0.0186278700000000, 0.0119817100000000 ] - [ -0.0052531900000000, 0.0020291600000000, -0.0001704400000000 ] - [ 0.0193928900000000, -0.0103959800000000, 0.0103593300000000 ] - [ -0.0065453500000000, -0.0012750100000000, -0.0006566600000000 ] - [ 0.0023076800000000, 0.0040196800000000, 0.0027617800000000 ] - [ -0.0020037300000000, -0.0023883100000000, -0.0008885300000000 ] - [ 0.0215865200000000, 0.0088511700000000, 0.0076065800000000 ] - [ -0.0050011700000000, 0.0012300400000000, 0.0009382900000000 ] - [ -0.0015822200000000, 0.0025659600000000, 0.0004578200000000 ] - [ 0.0001912000000000, -0.0060483800000000, 0.0003293900000000 ] - [ 0.0363131900000000, -0.0023371000000000, -0.0167643500000000 ] - [ -0.0071859800000000, 0.0012611200000000, -0.0031121200000000 ] - [ -0.0000570000000000, 0.0024507800000000, -0.0000581000000000 ] - [ -0.0004055400000000, -0.0032157600000000, 0.0001878400000000 ] - [ -0.0004444400000000, 0.0008418300000000, 0.0002483500000000 ] - [ -0.0010499100000000, -0.0010096800000000, -0.0024009200000000 ] - [ 0.0044379100000000, -0.0034867200000000, 0.0040839000000000 ] - [ -0.0017542800000000, 0.0008970800000000, -0.0009021500000000 ] - [ 0.0042344800000000, 0.0029481700000000, -0.0004178700000000 ] - [ -0.0012910700000000, -0.0005423100000000, -0.0000013600000000 ] - [ 0.0004355700000000, 0.0016010300000000, -0.0023251500000000 ] - [ -0.0007202700000000, -0.0009851100000000, 0.0006159300000000 ] - [ -0.0028481400000000, 0.0011517500000000, 0.0047465100000000 ] - [ -0.0014680000000000, -0.0008806100000000, -0.0036649400000000 ] - [ 0.0000753000000000, -0.0010340900000000, -0.0002543500000000 ] - [ 0.0001338000000000, 0.0004078300000000, 0.0002715200000000 ] - [ 0.0004049800000000, 0.0004280700000000, 0.0004591100000000 ] - [ -0.0007076400000000, -0.0000366200000000, -0.0005030400000000 ] - [ -0.0000375400000000, 0.0002789100000000, -0.0001951500000000 ] - [ -0.0001271900000000, -0.0004470100000000, -0.0000875400000000 ] - [ 0.0001399600000000, -0.0000337800000000, -0.0000253200000000 ] - [ -0.0001962100000000, -0.0003865800000000, -0.0002772000000000 ] - [ 0.0010398100000000, 0.0001641600000000, 0.0000519300000000 ] - [ -0.0006359600000000, -0.0003449200000000, 0.0003357200000000 ] - [ -0.0004956700000000, 0.0004240300000000, 0.0004648100000000 ] - [ 0.0007021000000000, 0.0000765200000000, -0.0005123000000000 ] - [ -0.0000772300000000, -0.0004460000000000, 0.0005242100000000 ] - [ -0.0000920400000000, 0.0003733900000000, -0.0002575300000000 ] - [ 0.0006225600000000, 0.0001491600000000, 0.0006961800000000 ] - [ -0.0009794400000000, 0.0003036700000000, -0.0006858700000000 ] - [ -0.0000510100000000, 0.0006947900000000, -0.0005068600000000 ] - [ -0.0000511000000000, -0.0003704600000000, 0.0000241300000000 ] - [ 0.0012806500000000, -0.0000658400000000, -0.0007833300000000 ] - [ -0.0007618700000000, 0.0005085200000000, 0.0010107000000000 ] - [ -0.0000105100000000, 0.0001888700000000, -0.0003483100000000 ] - [ -0.0000284900000000, -0.0005290400000000, 0.0004117800000000 ] - [ 0.0009220600000000, 0.0001264200000000, 0.0000924700000000 ] - [ -0.0007308100000000, -0.0005372700000000, 0.0003262300000000 ] - [ 0.0000036600000000, 0.0002309100000000, 0.0002741500000000 ] - [ -0.0004519200000000, -0.0004959800000000, -0.0005029900000000 ] - [ -0.0041692900000000, -0.0005210500000000, -0.0000807300000000 ] - [ 0.0030386400000000, 0.0001778700000000, -0.0004056600000000 ] - [ 0.0004076400000000, -0.0015368300000000, 0.0001365500000000 ] - [ 0.0002439000000000, 0.0016055000000000, 0.0000144900000000 ] - [ 0.0090256400000000, 0.0070764200000000, 0.0068608000000000 ] - [ 0.0097764800000000, -0.0146044800000000, -0.0091609500000000 ] - [ 0.0022567100000000, 0.0017161900000000, -0.0000662200000000 ] - [ -0.0094069500000000, -0.0043463400000000, 0.0020080500000000 ] - [ 0.0204003100000000, -0.0182023800000000, -0.0046690900000000 ] - [ 0.0194921200000000, 0.0161371800000000, 0.0099380000000000 ] - [ -0.0097908000000000, -0.0020446800000000, -0.0054462400000000 ] - [ 0.0013608300000000, 0.0009709300000000, -0.0000818200000000 ] - [ -0.0143090800000000, -0.0004617700000000, -0.0001215100000000 ] - [ 0.0038574300000000, -0.0000599600000000, 0.0006053400000000 ] - [ 0.0004376000000000, -0.0016052900000000, -0.0003825400000000 ] - [ 0.0007986000000000, 0.0021184000000000, -0.0004546300000000 ] - [ 0.0001213100000000, 0.0004951800000000, -0.0012624200000000 ] - [ 0.0001299200000000, -0.0004561300000000, 0.0009581400000000 ] - [ 0.0004343500000000, -0.0000710900000000, -0.0000714500000000 ] - [ -0.0006952900000000, 0.0000070800000000, 0.0000916200000000 ] - [ -0.0001373400000000, -0.0001813500000000, 0.0001053500000000 ] - [ 0.0000646400000000, 0.0002181500000000, -0.0002695200000000 ] - [ -0.0003797800000000, 0.0001951600000000, -0.0000964700000000 ] - [ 0.0004149000000000, -0.0002861300000000, -0.0000821800000000 ] - [ -0.2420226800000000, -0.0005757600000000, 0.0006310700000000 ] - [ 0.0140095100000000, -0.0011682200000000, -0.0002666400000000 ] - [ 0.0019237900000000, -0.0058188800000000, -0.0009247300000000 ] - [ 0.0039468000000000, 0.0069910600000000, 0.0014389300000000 ] - [ 0.0117166600000000, -0.0058934000000000, 0.0115020700000000 ] - [ 0.0108158000000000, 0.0169944100000000, -0.0165279000000000 ] - [ -0.0086295600000000, 0.0047338100000000, 0.0052059600000000 ] - [ 0.0019636200000000, -0.0011163700000000, 0.0000750900000000 ] - [ -0.0009462800000000, -0.0025252600000000, -0.0025582900000000 ] - [ 0.0014344500000000, 0.0009217100000000, 0.0023215700000000 ] - [ -0.0027284000000000, 0.0012811900000000, 0.0004781500000000 ] - [ 0.0013403500000000, -0.0000458100000000, 0.0000838500000000 ] - [ 0.0116792000000000, 0.0164344800000000, -0.0138605400000000 ] - [ 0.0107550700000000, -0.0065074900000000, 0.0108688800000000 ] - [ 0.0019629100000000, -0.0010935500000000, 0.0000878000000000 ] - [ -0.0085936500000000, 0.0057727400000000, 0.0033287600000000 ] - [ 0.0014411700000000, 0.0011336200000000, 0.0029141300000000 ] - [ -0.0009494000000000, -0.0023056800000000, -0.0028120500000000 ] - [ 0.0013335900000000, 0.0000426400000000, 0.0000859300000000 ] - [ -0.0027445600000000, 0.0014917700000000, 0.0001412000000000 ] - [ -0.0012344500000000, -0.0006370100000000, 0.0000767400000000 ] - [ 0.0014393900000000, 0.0002390200000000, -0.0002810100000000 ] - [ 0.0000748900000000, -0.0005445300000000, 0.0003727500000000 ] - [ 0.0000727100000000, 0.0010320400000000, 0.0001533100000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021424100000000, -0.0006507300000000, 0.0010656900000000 ] - [ -0.0066427300000000, 0.0040573600000000, -0.0040169300000000 ] - [ 0.0012348100000000, 0.0017674100000000, 0.0026236200000000 ] - [ 0.0004122200000000, -0.0015850000000000, -0.0003571800000000 ] - [ 0.0004881000000000, 0.0018978600000000, 0.0051286800000000 ] - [ 0.0045916700000000, -0.0024673800000000, -0.0070529400000000 ] - [ 0.0000937200000000, -0.0009904200000000, -0.0000744700000000 ] - [ -0.0002797900000000, 0.0007883000000000, 0.0000733200000000 ] - [ -0.0004936200000000, -0.0027899100000000, 0.0043988800000000 ] - [ 0.0010744200000000, 0.0013889700000000, -0.0009808500000000 ] - [ -0.0046844800000000, -0.0027555000000000, -0.0010974000000000 ] - [ 0.0023737400000000, 0.0006385200000000, 0.0002970200000000 ] - [ -0.0309573200000000, 0.0272852300000000, -0.0195238400000000 ] - [ 0.0089423000000000, 0.0022909600000000, 0.0007551400000000 ] - [ -0.0034232400000000, -0.0039697200000000, -0.0016885300000000 ] - [ 0.0015037100000000, 0.0022823000000000, -0.0000515100000000 ] - [ 0.0086238800000000, 0.0002406200000000, 0.0016440400000000 ] - [ -0.0654888800000000, -0.0004292700000000, 0.0300033600000000 ] - [ 0.0010568800000000, 0.0043702800000000, -0.0005587300000000 ] - [ -0.0002140900000000, -0.0030999000000000, -0.0001183700000000 ] - [ 0.0029864000000000, -0.0038170400000000, -0.0001776800000000 ] - [ -0.0012735900000000, 0.0081910000000000, 0.0000636900000000 ] - [ -0.0255262700000000, -0.0193048600000000, -0.0122270100000000 ] - [ 0.0051224100000000, -0.0022353200000000, 0.0001714700000000 ] - [ -0.0196519600000000, 0.0101187600000000, -0.0099847900000000 ] - [ 0.0061881700000000, 0.0013447400000000, 0.0006480900000000 ] - [ -0.0026657800000000, -0.0039897400000000, -0.0027632500000000 ] - [ 0.0016697900000000, 0.0024349100000000, 0.0008924600000000 ] - [ -0.0214919800000000, -0.0089406500000000, -0.0073694000000000 ] - [ 0.0051676300000000, -0.0015715700000000, -0.0009523600000000 ] - [ 0.0017445900000000, -0.0028893100000000, -0.0004672600000000 ] - [ -0.0000443600000000, 0.0057378000000000, -0.0003287500000000 ] - [ -0.0379369400000000, 0.0025101500000000, 0.0185907400000000 ] - [ 0.0073523900000000, -0.0009578100000000, 0.0030715000000000 ] - [ 0.0002569200000000, -0.0021694600000000, 0.0000507700000000 ] - [ 0.0006161900000000, 0.0035207400000000, -0.0001976700000000 ] - [ 0.0002582600000000, -0.0005689500000000, -0.0002453300000000 ] - [ 0.0008808300000000, 0.0013006500000000, 0.0024269700000000 ] - [ -0.0046255800000000, 0.0037667700000000, -0.0040811700000000 ] - [ 0.0015731900000000, -0.0006013300000000, 0.0008973900000000 ] - [ -0.0039062700000000, -0.0029551000000000, 0.0004168400000000 ] - [ 0.0016418800000000, 0.0005290100000000, -0.0000116500000000 ] - [ -0.0000935400000000, -0.0016210800000000, 0.0023396700000000 ] - [ 0.0010569600000000, 0.0009765700000000, -0.0006291500000000 ] - [ 0.0026466300000000, -0.0014364600000000, -0.0047418300000000 ] - [ 0.0013104000000000, 0.0005956600000000, 0.0036664400000000 ] - [ -0.0002565700000000, 0.0007339800000000, 0.0002447700000000 ] - [ -0.0003077600000000, -0.0007016800000000, -0.0002806000000000 ] - [ -0.0006546200000000, -0.0003990000000000, -0.0004521800000000 ] - [ 0.0004612300000000, 0.0000611900000000, 0.0005068700000000 ] - [ -0.0002171000000000, -0.0002582000000000, 0.0001992700000000 ] - [ -0.0001244500000000, 0.0004676300000000, 0.0000883800000000 ] - [ -0.0000040700000000, -0.0001939100000000, 0.0000213400000000 ] - [ 0.0003352600000000, 0.0001591000000000, 0.0002712500000000 ] - [ -0.0009073000000000, -0.0003916600000000, -0.0000561400000000 ] - [ 0.0007660600000000, 0.0001188000000000, -0.0003415900000000 ] - [ 0.0006204800000000, -0.0001950500000000, -0.0004721800000000 ] - [ -0.0005740600000000, 0.0001541600000000, 0.0005080000000000 ] - [ 0.0002074100000000, 0.0006652600000000, -0.0005299700000000 ] - [ 0.0002209200000000, -0.0001470300000000, 0.0002494000000000 ] - [ -0.0008391700000000, 0.0001217500000000, -0.0006858000000000 ] - [ 0.0007650900000000, -0.0000372300000000, 0.0006942300000000 ] - [ -0.0001667200000000, -0.0004287600000000, 0.0005134600000000 ] - [ -0.0001619200000000, 0.0006400700000000, -0.0000172200000000 ] - [ -0.0009213900000000, 0.0000945200000000, 0.0007853700000000 ] - [ 0.0011179900000000, -0.0004791400000000, -0.0010128900000000 ] - [ 0.0003628100000000, -0.0001615600000000, 0.0003498400000000 ] - [ 0.0003839200000000, 0.0005551200000000, -0.0004143100000000 ] - [ -0.0010727500000000, -0.0004437700000000, -0.0000986900000000 ] - [ 0.0005795700000000, 0.0002195700000000, -0.0003312400000000 ] - [ -0.0001543600000000, -0.0005496600000000, -0.0002789700000000 ] - [ 0.0003003800000000, 0.0001805800000000, 0.0004965600000000 ] - [ 0.0041510700000000, 0.0005063500000000, -0.0000776100000000 ] - [ -0.0030603700000000, -0.0001934400000000, 0.0002317300000000 ] - [ -0.0004231400000000, 0.0015146700000000, -0.0003081400000000 ] - [ -0.0002591600000000, -0.0016152300000000, -0.0001811100000000 ] - [ -0.0090293800000000, -0.0071352800000000, -0.0070854900000000 ] - [ -0.0096792900000000, 0.0145596800000000, 0.0089246800000000 ] - [ -0.0022420600000000, -0.0016746300000000, -0.0000709900000000 ] - [ 0.0094005000000000, 0.0043402900000000, -0.0021348200000000 ] - [ -0.0205864100000000, 0.0183932600000000, 0.0045700900000000 ] - [ -0.0193051800000000, -0.0159501200000000, -0.0099891700000000 ] - [ 0.0097964400000000, 0.0021065700000000, 0.0052444700000000 ] - [ -0.0013591900000000, -0.0010158900000000, -0.0000850000000000 ] - [ 0.0143482800000000, 0.0004839300000000, -0.0001252000000000 ] - [ -0.0038382200000000, 0.0000825000000000, -0.0007503700000000 ] - [ -0.0004362300000000, 0.0016343600000000, 0.0002269400000000 ] - [ -0.0008012600000000, -0.0020982000000000, 0.0002938700000000 ] - [ -0.0001373100000000, -0.0005236700000000, 0.0011232100000000 ] - [ -0.0001539700000000, 0.0004256300000000, -0.0011017100000000 ] - [ -0.0004505200000000, 0.0000427500000000, -0.0000706200000000 ] - [ 0.0006795400000000, -0.0000370700000000, -0.0002394700000000 ] - [ 0.0001650100000000, 0.0001903400000000, -0.0002780200000000 ] - [ -0.0000394400000000, -0.0002088400000000, 0.0000980100000000 ] - [ 0.0004079900000000, -0.0001851100000000, -0.0000785200000000 ] - [ -0.0003887600000000, 0.0002951100000000, -0.0000859000000000 ] - [ 0.2399696500000000, -0.0005749800000000, 0.0005596600000000 ] - [ -0.0140382500000000, 0.0011673500000000, 0.0004348800000000 ] - [ -0.0019185700000000, 0.0058188400000000, 0.0010900300000000 ] - [ -0.0039404000000000, -0.0069817900000000, -0.0012730500000000 ] - [ -0.0116797000000000, 0.0059815100000000, -0.0114051500000000 ] - [ -0.0107425500000000, -0.0169696300000000, 0.0166081100000000 ] - [ 0.0085906900000000, -0.0047046700000000, -0.0050214300000000 ] - [ -0.0019643100000000, 0.0010984400000000, 0.0000733600000000 ] - [ 0.0009512200000000, 0.0025182200000000, 0.0027224600000000 ] - [ -0.0014507400000000, -0.0009240100000000, -0.0021618300000000 ] - [ 0.0027423200000000, -0.0012735100000000, -0.0003202800000000 ] - [ -0.0013340900000000, 0.0000389100000000, 0.0000829200000000 ] - [ -0.0117227800000000, -0.0164623700000000, 0.0141359300000000 ] - [ -0.0107983600000000, 0.0064355900000000, -0.0106215900000000 ] - [ -0.0019638600000000, 0.0011185800000000, 0.0000914400000000 ] - [ 0.0086284000000000, -0.0058035500000000, -0.0031788700000000 ] - [ -0.0014413300000000, -0.0011435900000000, -0.0027538700000000 ] - [ 0.0009503600000000, 0.0023084000000000, 0.0029731500000000 ] - [ -0.0013364800000000, -0.0000390500000000, 0.0000804100000000 ] - [ 0.0027307800000000, -0.0014883100000000, 0.0000262700000000 ] - [ 0.0012317100000000, 0.0006370500000000, 0.0000802300000000 ] - [ -0.0014398500000000, -0.0002399500000000, 0.0004440700000000 ] - [ -0.0000757700000000, 0.0005478900000000, -0.0002109800000000 ] - [ -0.0000759100000000, -0.0010264200000000, 0.0000086000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008847200000000, 0.0002970200000000, -0.0008519200000000 ] - [ 0.0000156500000000, 0.0035713500000000, -0.0052619900000000 ] - [ -0.0020485800000000, -0.0019361500000000, -0.0030992700000000 ] - [ 0.0006881800000000, -0.0006811900000000, -0.0002818500000000 ] - [ -0.0031007100000000, -0.0017721200000000, -0.0052619900000000 ] - [ 0.0027010400000000, -0.0008060500000000, -0.0030992700000000 ] - [ 0.0001851300000000, -0.0009147000000000, -0.0008519200000000 ] - [ 0.0002458400000000, 0.0009365800000000, -0.0002818500000000 ] - [ -0.0006524600000000, 0.0027421900000000, -0.0030992700000000 ] - [ 0.0006995800000000, 0.0006176800000000, -0.0008519200000000 ] - [ 0.0030850500000000, -0.0017992300000000, -0.0052619900000000 ] - [ -0.0009340200000000, -0.0002553800000000, -0.0002818500000000 ] - [ 0.0145252700000000, -0.0238613900000000, 0.0279725600000000 ] - [ 0.0039530200000000, 0.0009983100000000, 0.0029216800000000 ] - [ 0.0029823100000000, -0.0036592900000000, 0.0057229600000000 ] - [ -0.0016203900000000, -0.0015473800000000, 0.0030228500000000 ] - [ -0.0046601900000000, -0.0007531200000000, 0.0057229600000000 ] - [ -0.0279272000000000, -0.0006485500000000, 0.0279725600000000 ] - [ -0.0011119500000000, -0.0039225700000000, 0.0029216800000000 ] - [ -0.0005298800000000, 0.0021769900000000, 0.0030228500000000 ] - [ -0.0028410800000000, 0.0029242600000000, 0.0029216800000000 ] - [ 0.0016778800000000, 0.0044124000000000, 0.0057229600000000 ] - [ 0.0134019400000000, 0.0245099500000000, 0.0279725600000000 ] - [ 0.0021502700000000, -0.0006296100000000, 0.0030228500000000 ] - [ 0.0129200700000000, -0.0212674400000000, 0.0325080100000000 ] - [ 0.0041139900000000, 0.0008742300000000, 0.0033664700000000 ] - [ 0.0036149600000000, -0.0022513600000000, 0.0051911000000000 ] - [ -0.0014881700000000, -0.0011942200000000, 0.0025530400000000 ] - [ 0.0119581100000000, 0.0218228300000000, 0.0325080100000000 ] - [ 0.0017783000000000, -0.0006916800000000, 0.0025530400000000 ] - [ -0.0028141000000000, 0.0031257100000000, 0.0033664700000000 ] - [ 0.0001422500000000, 0.0042563200000000, 0.0051911000000000 ] - [ -0.0248781800000000, -0.0005553900000000, 0.0325080100000000 ] - [ -0.0037572100000000, -0.0020049700000000, 0.0051911000000000 ] - [ -0.0002901400000000, 0.0018859000000000, 0.0025530400000000 ] - [ -0.0012998900000000, -0.0039999300000000, 0.0033664700000000 ] - [ 0.0006204900000000, -0.0001414100000000, -0.0004409600000000 ] - [ -0.0021532500000000, -0.0014615900000000, -0.0035658500000000 ] - [ 0.0009009500000000, 0.0042072300000000, -0.0056678100000000 ] - [ -0.0008612100000000, 0.0006321900000000, -0.0007620200000000 ] - [ 0.0031930900000000, -0.0028838600000000, -0.0056678100000000 ] - [ -0.0004327100000000, -0.0004666600000000, -0.0004409600000000 ] - [ -0.0001891500000000, 0.0025955600000000, -0.0035658500000000 ] - [ 0.0009781000000000, 0.0004297400000000, -0.0007620200000000 ] - [ 0.0023424000000000, -0.0011339700000000, -0.0035658500000000 ] - [ -0.0040940400000000, -0.0013233700000000, -0.0056678100000000 ] - [ -0.0001877800000000, 0.0006080700000000, -0.0004409600000000 ] - [ -0.0001168800000000, -0.0010619300000000, -0.0007620200000000 ] - [ -0.0007082400000000, -0.0000535700000000, -0.0033067200000000 ] - [ -0.0013883100000000, -0.0000823100000000, -0.0027724900000000 ] - [ -0.0006192800000000, 0.0002149500000000, -0.0021941100000000 ] - [ -0.0006155500000000, -0.0002221200000000, -0.0021565300000000 ] - [ 0.0007654400000000, -0.0011611600000000, -0.0027724900000000 ] - [ 0.0001234800000000, -0.0006437900000000, -0.0021941100000000 ] - [ 0.0004005200000000, -0.0005865700000000, -0.0033067200000000 ] - [ 0.0005001400000000, -0.0004220200000000, -0.0021565300000000 ] - [ 0.0004958000000000, 0.0004288300000000, -0.0021941100000000 ] - [ 0.0003077200000000, 0.0006401400000000, -0.0033067200000000 ] - [ 0.0006228800000000, 0.0012434700000000, -0.0027724900000000 ] - [ 0.0001154100000000, 0.0006441400000000, -0.0021565300000000 ] - [ -0.0000841000000000, 0.0010086000000000, -0.0034181100000000 ] - [ -0.0011134600000000, 0.0007714600000000, -0.0026314400000000 ] - [ -0.0002987000000000, 0.0008300600000000, -0.0022541500000000 ] - [ -0.0002305500000000, 0.0004517500000000, -0.0021023800000000 ] - [ 0.0009155300000000, -0.0004314700000000, -0.0034181100000000 ] - [ 0.0008682000000000, -0.0001563500000000, -0.0022541500000000 ] - [ 0.0005065000000000, -0.0000262100000000, -0.0021023800000000 ] - [ 0.0012248300000000, 0.0005785500000000, -0.0026314400000000 ] - [ -0.0008314200000000, -0.0005771400000000, -0.0034181100000000 ] - [ -0.0002759500000000, -0.0004255400000000, -0.0021023800000000 ] - [ -0.0001113700000000, -0.0013500100000000, -0.0026314400000000 ] - [ -0.0005695000000000, -0.0006737100000000, -0.0022541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0087131400000000 ] - [ -0.0005739800000000, -0.0000673000000000, 0.0016666700000000 ] - [ 0.0003452700000000, -0.0004634400000000, 0.0016666700000000 ] - [ 0.0002287100000000, 0.0005307300000000, 0.0016666700000000 ] - [ 0.0111412500000000, 0.0027624000000000, 0.0015769100000000 ] - [ -0.0079629400000000, 0.0082674100000000, 0.0015769100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002958100000000 ] - [ -0.0031783100000000, -0.0110298100000000, 0.0015769100000000 ] - [ -0.0048105700000000, 0.0085925300000000, -0.0146604000000000 ] - [ 0.0098466300000000, -0.0001301900000000, -0.0146604000000000 ] - [ -0.0050360700000000, -0.0084623400000000, -0.0146604000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048570600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327004600000000 ] - [ -0.0006740800000000, 0.0002784300000000, -0.0002317000000000 ] - [ 0.0000959100000000, -0.0007229900000000, -0.0002317000000000 ] - [ 0.0005781700000000, 0.0004445600000000, -0.0002317000000000 ] - [ -0.0009757600000000, -0.0004383200000000, 0.0029893100000000 ] - [ 0.0008674700000000, -0.0006258800000000, 0.0029893100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015893100000000 ] - [ 0.0001082900000000, 0.0010641900000000, 0.0029893100000000 ] - [ 0.0002571200000000, -0.0001453700000000, 0.0027482200000000 ] - [ -0.0002544500000000, -0.0001499900000000, 0.0027482200000000 ] - [ -0.0000026700000000, 0.0002953500000000, 0.0027482200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021434200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2211819500000000 ] - [ -0.0003504400000000, 0.0013671800000000, -0.0108962900000000 ] - [ -0.0010087900000000, -0.0009870800000000, -0.0108962900000000 ] - [ 0.0013592400000000, -0.0003801000000000, -0.0108962900000000 ] - [ 0.0139844200000000, -0.0042906100000000, 0.0071310300000000 ] - [ -0.0107079800000000, -0.0099655600000000, 0.0071310300000000 ] - [ -0.0032764300000000, 0.0142561600000000, 0.0071310300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011712400000000 ] - [ -0.0029066400000000, 0.0016017300000000, 0.0059462300000000 ] - [ 0.0028404600000000, 0.0017163600000000, 0.0059462300000000 ] - [ 0.0000661800000000, -0.0033180900000000, 0.0059462300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035019300000000 ] - [ -0.0114921900000000, -0.0125213900000000, 0.0071124200000000 ] - [ 0.0165899400000000, -0.0036918400000000, 0.0071124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011873000000000 ] - [ -0.0050977500000000, 0.0162132300000000, 0.0071124200000000 ] - [ 0.0022359600000000, 0.0017401900000000, 0.0059468400000000 ] - [ -0.0026250300000000, 0.0010663000000000, 0.0059468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035111500000000 ] - [ 0.0003890700000000, -0.0028064900000000, 0.0059468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068817600000000 ] - [ 0.0003635600000000, -0.0001270200000000, 0.0047304300000000 ] - [ -0.0000717800000000, 0.0003783600000000, 0.0047304300000000 ] - [ -0.0002917800000000, -0.0002513400000000, 0.0047304300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005514900000000, -0.0002999700000000, 0.0008433100000000 ] - [ -0.0003704600000000, -0.0036075000000000, 0.0052777100000000 ] - [ 0.0016994400000000, 0.0019394300000000, 0.0030693000000000 ] - [ -0.0010336800000000, 0.0006847000000000, 0.0002728700000000 ] - [ 0.0033094100000000, 0.0014829300000000, 0.0052777100000000 ] - [ -0.0025293200000000, 0.0005020400000000, 0.0030693000000000 ] - [ -0.0000159600000000, 0.0006275900000000, 0.0008433100000000 ] - [ -0.0000761300000000, -0.0012375400000000, 0.0002728700000000 ] - [ 0.0008298800000000, -0.0024414700000000, 0.0030693000000000 ] - [ -0.0005355300000000, -0.0003276200000000, 0.0008433100000000 ] - [ -0.0029389600000000, 0.0021245700000000, 0.0052777100000000 ] - [ 0.0011098100000000, 0.0005528400000000, 0.0002728700000000 ] - [ -0.0152802100000000, 0.0249264100000000, -0.0281885600000000 ] - [ -0.0040605500000000, -0.0007694300000000, -0.0029213800000000 ] - [ -0.0031075500000000, 0.0038836000000000, -0.0057300000000000 ] - [ 0.0014777900000000, 0.0017642800000000, -0.0030305400000000 ] - [ 0.0049170800000000, 0.0007494200000000, -0.0057300000000000 ] - [ 0.0292270100000000, 0.0007698500000000, -0.0281885600000000 ] - [ 0.0013639300000000, 0.0039012600000000, -0.0029213800000000 ] - [ 0.0007890200000000, -0.0021619400000000, -0.0030305400000000 ] - [ 0.0026966300000000, -0.0031318200000000, -0.0029213800000000 ] - [ -0.0018095200000000, -0.0046330200000000, -0.0057300000000000 ] - [ -0.0139467900000000, -0.0256962500000000, -0.0281885600000000 ] - [ -0.0022668100000000, 0.0003976600000000, -0.0030305400000000 ] - [ -0.0124100900000000, 0.0200109000000000, -0.0314870000000000 ] - [ -0.0044673500000000, -0.0008407200000000, -0.0033643400000000 ] - [ -0.0039545300000000, 0.0022798300000000, -0.0051753700000000 ] - [ 0.0011437200000000, 0.0012301900000000, -0.0025446300000000 ] - [ -0.0111249000000000, -0.0207529100000000, -0.0314870000000000 ] - [ -0.0016372400000000, 0.0003753900000000, -0.0025446300000000 ] - [ 0.0029617600000000, -0.0034484800000000, -0.0033643400000000 ] - [ 0.0000028800000000, -0.0045646300000000, -0.0051753700000000 ] - [ 0.0235350000000000, 0.0007420000000000, -0.0314870000000000 ] - [ 0.0039516500000000, 0.0022848100000000, -0.0051753700000000 ] - [ 0.0004935200000000, -0.0016055800000000, -0.0025446300000000 ] - [ 0.0015055900000000, 0.0042892000000000, -0.0033643400000000 ] - [ -0.0007856200000000, 0.0004299000000000, 0.0004450900000000 ] - [ 0.0019906700000000, 0.0017532600000000, 0.0035900800000000 ] - [ -0.0010475800000000, -0.0038912100000000, 0.0056521400000000 ] - [ 0.0006867300000000, -0.0003391200000000, 0.0007645700000000 ] - [ -0.0028461000000000, 0.0028528300000000, 0.0056521400000000 ] - [ 0.0007651100000000, 0.0004654200000000, 0.0004450900000000 ] - [ 0.0005230400000000, -0.0026006000000000, 0.0035900800000000 ] - [ -0.0006370600000000, -0.0004251700000000, 0.0007645700000000 ] - [ -0.0025137000000000, 0.0008473400000000, 0.0035900800000000 ] - [ 0.0038936700000000, 0.0010383800000000, 0.0056521400000000 ] - [ 0.0000205100000000, -0.0008953100000000, 0.0004450900000000 ] - [ -0.0000496800000000, 0.0007642900000000, 0.0007645700000000 ] - [ 0.0004569000000000, 0.0000574000000000, 0.0033027100000000 ] - [ 0.0011264900000000, 0.0000860500000000, 0.0027660200000000 ] - [ 0.0003641800000000, -0.0002088600000000, 0.0021945000000000 ] - [ 0.0003604000000000, 0.0002270000000000, 0.0021556400000000 ] - [ -0.0006377700000000, 0.0009325400000000, 0.0027660200000000 ] - [ -0.0000012100000000, 0.0004198200000000, 0.0021945000000000 ] - [ -0.0002781600000000, 0.0003669900000000, 0.0033027100000000 ] - [ -0.0003767900000000, 0.0001986200000000, 0.0021556400000000 ] - [ -0.0003629700000000, -0.0002109600000000, 0.0021945000000000 ] - [ -0.0001787400000000, -0.0004243800000000, 0.0033027100000000 ] - [ -0.0004887200000000, -0.0010185900000000, 0.0027660200000000 ] - [ 0.0000163900000000, -0.0004256200000000, 0.0021556400000000 ] - [ -0.0001269800000000, -0.0007267400000000, 0.0034227100000000 ] - [ 0.0009166300000000, -0.0004897300000000, 0.0026348300000000 ] - [ 0.0000935600000000, -0.0005471300000000, 0.0022496100000000 ] - [ 0.0000245700000000, -0.0001674000000000, 0.0020976200000000 ] - [ -0.0005658900000000, 0.0004733400000000, 0.0034227100000000 ] - [ -0.0005206000000000, 0.0001925400000000, 0.0022496100000000 ] - [ -0.0001572600000000, 0.0000624200000000, 0.0020976200000000 ] - [ -0.0008824400000000, -0.0005489500000000, 0.0026348300000000 ] - [ 0.0006928600000000, 0.0002534000000000, 0.0034227100000000 ] - [ 0.0001326900000000, 0.0001049800000000, 0.0020976200000000 ] - [ -0.0000341900000000, 0.0010386900000000, 0.0026348300000000 ] - [ 0.0004270500000000, 0.0003545800000000, 0.0022496100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0089476400000000 ] - [ 0.0005698500000000, 0.0000679800000000, -0.0018298100000000 ] - [ -0.0003438000000000, 0.0004595100000000, -0.0018298100000000 ] - [ -0.0002260500000000, -0.0005274900000000, -0.0018298100000000 ] - [ -0.0111555900000000, -0.0027913200000000, -0.0016825900000000 ] - [ 0.0079951500000000, -0.0082653700000000, -0.0016825900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001699500000000 ] - [ 0.0031604400000000, 0.0110566800000000, -0.0016825900000000 ] - [ 0.0048381800000000, -0.0085990500000000, 0.0144248600000000 ] - [ -0.0098660900000000, 0.0001095300000000, 0.0144248600000000 ] - [ 0.0050279000000000, 0.0084895100000000, 0.0144248600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046785800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0323528500000000 ] - [ 0.0006791300000000, -0.0002784500000000, 0.0000602400000000 ] - [ -0.0000984300000000, 0.0007273700000000, 0.0000602400000000 ] - [ -0.0005807100000000, -0.0004489200000000, 0.0000602400000000 ] - [ 0.0009654900000000, 0.0004388100000000, -0.0031314800000000 ] - [ -0.0008627700000000, 0.0006167400000000, -0.0031314800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017350500000000 ] - [ -0.0001027300000000, -0.0010555500000000, -0.0031314800000000 ] - [ -0.0002617100000000, 0.0001483000000000, -0.0029195800000000 ] - [ 0.0002592800000000, 0.0001525000000000, -0.0029195800000000 ] - [ 0.0000024200000000, -0.0003007900000000, -0.0029195800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2183930100000000 ] - [ 0.0003454400000000, -0.0013636100000000, 0.0110464400000000 ] - [ 0.0010082000000000, 0.0009809700000000, 0.0110464400000000 ] - [ -0.0013536400000000, 0.0003826400000000, 0.0110464400000000 ] - [ -0.0140156000000000, 0.0043585400000000, -0.0069233100000000 ] - [ 0.0107824000000000, 0.0099585900000000, -0.0069233100000000 ] - [ 0.0032331900000000, -0.0143171300000000, -0.0069233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013542800000000 ] - [ 0.0028787700000000, -0.0016055500000000, -0.0057825500000000 ] - [ -0.0028298400000000, -0.0016903100000000, -0.0057825500000000 ] - [ -0.0000489400000000, 0.0032958700000000, -0.0057825500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033429400000000 ] - [ 0.0114177900000000, 0.0125161100000000, -0.0069417000000000 ] - [ -0.0165481700000000, 0.0036300400000000, -0.0069417000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013405600000000 ] - [ 0.0051303800000000, -0.0161461500000000, -0.0069417000000000 ] - [ -0.0022490000000000, -0.0017696100000000, -0.0057815700000000 ] - [ 0.0026570200000000, -0.0010628800000000, -0.0057815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033346200000000 ] - [ -0.0004080300000000, 0.0028324900000000, -0.0057815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0067178300000000 ] - [ -0.0003632700000000, 0.0001266500000000, -0.0045661300000000 ] - [ 0.0000719600000000, -0.0003779300000000, -0.0045661300000000 ] - [ 0.0002913200000000, 0.0002512800000000, -0.0045661300000000 ]