# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/dfe2fa5a-4171-47a8-88af-85f38cc2ac82/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 CdSnO3 / R-3 (148) / materials id 754329](https://mdr.nims.go.jp/datasets/a0a312a1-40aa-4b6d-8f32-06333a3edc87) ## 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: "R-3" number: 148 Hall_symbol: "-R 3"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: - [ 2.746182000000003, 1.585508949999998, 4.998318906666661 ] # a - [ -2.746182029999997, 1.585508899999998, 4.998318906666661 ] # b - [ 0.000000030000003, -3.171017850000001, 4.998318906666661 ] # c points: - symbol: Cd # 1 coordinates: [ 0.633766850000000, 0.633766860000001, 0.633766850000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.366233140000000, 0.366233150000000, 0.366233140000000 ] mass: 112.411000 - symbol: Sn # 3 coordinates: [ 0.846169970000000, 0.846169960000000, 0.846169970000000 ] mass: 118.710000 - symbol: Sn # 4 coordinates: [ 0.153830040000000, 0.153830040000000, 0.153830040000000 ] mass: 118.710000 - symbol: O # 5 coordinates: [ 0.555984980000000, 0.213252610000001, 0.962235610000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.786747380000000, 0.037764400000000, 0.444015010000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.037764390000000, 0.444015020000000, 0.786747380000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.962235610000000, 0.555984980000001, 0.213252610000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.213252610000000, 0.962235610000001, 0.555984980000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.444015010000000, 0.786747390000000, 0.037764390000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.182070960570336, 0.105118720411953, 0.066689088783179 ] # a* - [ -0.182070962484243, 0.105118716966921, 0.066689088783179 ] # b* - [ 0.000000001913907, -0.210237437378874, 0.066689088783179 ] # c*unit_cell: lattice: - [ 5.492364030000000, 0.000000050000000, 0.000000000000000 ] # a - [ -2.746182060000000, 4.756526750000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.994956719999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.300433520000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.032899810000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.633766860000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.366233140000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.967100190000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.699566480000000 ] mass: 112.411000 reduced_to: 2 - symbol: Sn # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.179503300000000 ] mass: 118.710000 reduced_to: 7 - symbol: Sn # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.153830040000000 ] mass: 118.710000 reduced_to: 8 - symbol: Sn # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.512836630000000 ] mass: 118.710000 reduced_to: 7 - symbol: Sn # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.487163370000000 ] mass: 118.710000 reduced_to: 8 - symbol: Sn # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.846169960000000 ] mass: 118.710000 reduced_to: 7 - symbol: Sn # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.820496700000000 ] mass: 118.710000 reduced_to: 8 - symbol: O # 13 coordinates: [ 0.312160580000000, 0.281588790000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.697238450000000, 0.645493920000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.948255460000000, 0.302761550000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.718411210000000, 0.030571790000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.969428210000000, 0.687839420000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.354506080000000, 0.051744540000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.978827250000000, 0.614922130000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 20 coordinates: [ 0.363905120000000, 0.978827250000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 21 coordinates: [ 0.614922130000000, 0.636094880000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 22 coordinates: [ 0.385077870000000, 0.363905120000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 23 coordinates: [ 0.636094880000000, 0.021172750000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 24 coordinates: [ 0.021172750000000, 0.385077870000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 25 coordinates: [ 0.645493920000000, 0.948255460000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.030571790000000, 0.312160580000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.281588790000000, 0.969428210000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.051744540000000, 0.697238450000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.302761550000000, 0.354506080000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.687839420000000, 0.718411210000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 18supercell: lattice: - [ 10.984728060000000, 0.000000100000000, 0.000000000000000 ] # a - [ -5.492364120000000, 9.513053500000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.994956719999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.166666665000000, 0.333333335000000, 0.300433520000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.666666665000000, 0.333333335000000, 0.300433520000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 3 coordinates: [ 0.166666665000000, 0.833333335000000, 0.300433520000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.666666665000000, 0.833333335000000, 0.300433520000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 5 coordinates: [ 0.166666665000000, 0.333333335000000, 0.032899810000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.666666665000000, 0.333333335000000, 0.032899810000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 7 coordinates: [ 0.166666665000000, 0.833333335000000, 0.032899810000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 8 coordinates: [ 0.666666665000000, 0.833333335000000, 0.032899810000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.633766860000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.633766860000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.633766860000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.633766860000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.366233140000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.366233140000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.366233140000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.366233140000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 17 coordinates: [ 0.333333335000000, 0.166666665000000, 0.967100190000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 18 coordinates: [ 0.833333335000000, 0.166666665000000, 0.967100190000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 19 coordinates: [ 0.333333335000000, 0.666666665000000, 0.967100190000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 20 coordinates: [ 0.833333335000000, 0.666666665000000, 0.967100190000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.699566480000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.699566480000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.699566480000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.699566480000000 ] mass: 112.411000 reduced_to: 5 - symbol: Sn # 25 coordinates: [ 0.333333335000000, 0.166666665000000, 0.179503300000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 26 coordinates: [ 0.833333335000000, 0.166666665000000, 0.179503300000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 27 coordinates: [ 0.333333335000000, 0.666666665000000, 0.179503300000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 28 coordinates: [ 0.833333335000000, 0.666666665000000, 0.179503300000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.153830040000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.153830040000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.153830040000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.153830040000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 33 coordinates: [ 0.166666665000000, 0.333333335000000, 0.512836630000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 34 coordinates: [ 0.666666665000000, 0.333333335000000, 0.512836630000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 35 coordinates: [ 0.166666665000000, 0.833333335000000, 0.512836630000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 36 coordinates: [ 0.666666665000000, 0.833333335000000, 0.512836630000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 37 coordinates: [ 0.333333335000000, 0.166666665000000, 0.487163370000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 38 coordinates: [ 0.833333335000000, 0.166666665000000, 0.487163370000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 39 coordinates: [ 0.333333335000000, 0.666666665000000, 0.487163370000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 40 coordinates: [ 0.833333335000000, 0.666666665000000, 0.487163370000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.846169960000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.846169960000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.846169960000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.846169960000000 ] mass: 118.710000 reduced_to: 25 - symbol: Sn # 45 coordinates: [ 0.166666665000000, 0.333333335000000, 0.820496700000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 46 coordinates: [ 0.666666665000000, 0.333333335000000, 0.820496700000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 47 coordinates: [ 0.166666665000000, 0.833333335000000, 0.820496700000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 48 coordinates: [ 0.666666665000000, 0.833333335000000, 0.820496700000000 ] mass: 118.710000 reduced_to: 29 - symbol: O # 49 coordinates: [ 0.156080290000000, 0.140794395000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.656080290000000, 0.140794395000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.156080290000000, 0.640794395000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.656080290000000, 0.640794395000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.348619225000000, 0.322746960000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.848619225000000, 0.322746960000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.348619225000000, 0.822746960000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.848619225000000, 0.822746960000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.474127730000000, 0.151380775000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.974127730000000, 0.151380775000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.474127730000000, 0.651380775000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.974127730000000, 0.651380775000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.359205605000000, 0.015285895000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.859205605000000, 0.015285895000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.359205605000000, 0.515285895000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.859205605000000, 0.515285895000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.484714105000000, 0.343919710000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.984714105000000, 0.343919710000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.484714105000000, 0.843919710000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.984714105000000, 0.843919710000000, 0.243824400000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.177253040000000, 0.025872270000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.677253040000000, 0.025872270000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.177253040000000, 0.525872270000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.677253040000000, 0.525872270000000, 0.089508930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.489413625000000, 0.307461065000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.989413625000000, 0.307461065000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.489413625000000, 0.807461065000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.989413625000000, 0.807461065000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.181952560000000, 0.489413625000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.681952560000000, 0.489413625000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.181952560000000, 0.989413625000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 80 coordinates: [ 0.681952560000000, 0.989413625000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 81 coordinates: [ 0.307461065000000, 0.318047440000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.807461065000000, 0.318047440000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 83 coordinates: [ 0.307461065000000, 0.818047440000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 84 coordinates: [ 0.807461065000000, 0.818047440000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 85 coordinates: [ 0.192538935000000, 0.181952560000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.692538935000000, 0.181952560000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 87 coordinates: [ 0.192538935000000, 0.681952560000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 88 coordinates: [ 0.692538935000000, 0.681952560000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 89 coordinates: [ 0.318047440000000, 0.010586375000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 90 coordinates: [ 0.818047440000000, 0.010586375000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 91 coordinates: [ 0.318047440000000, 0.510586375000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 92 coordinates: [ 0.818047440000000, 0.510586375000000, 0.577157740000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 93 coordinates: [ 0.010586375000000, 0.192538935000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 94 coordinates: [ 0.510586375000000, 0.192538935000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 95 coordinates: [ 0.010586375000000, 0.692538935000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 96 coordinates: [ 0.510586375000000, 0.692538935000000, 0.422842260000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 97 coordinates: [ 0.322746960000000, 0.474127730000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.822746960000000, 0.474127730000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 99 coordinates: [ 0.322746960000000, 0.974127730000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 100 coordinates: [ 0.822746960000000, 0.974127730000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 101 coordinates: [ 0.015285895000000, 0.156080290000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.515285895000000, 0.156080290000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 103 coordinates: [ 0.015285895000000, 0.656080290000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 104 coordinates: [ 0.515285895000000, 0.656080290000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 105 coordinates: [ 0.140794395000000, 0.484714105000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.640794395000000, 0.484714105000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 107 coordinates: [ 0.140794395000000, 0.984714105000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 108 coordinates: [ 0.640794395000000, 0.984714105000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 109 coordinates: [ 0.025872270000000, 0.348619225000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.525872270000000, 0.348619225000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 111 coordinates: [ 0.025872270000000, 0.848619225000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 112 coordinates: [ 0.525872270000000, 0.848619225000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 113 coordinates: [ 0.151380775000000, 0.177253040000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.651380775000000, 0.177253040000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 115 coordinates: [ 0.151380775000000, 0.677253040000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 116 coordinates: [ 0.651380775000000, 0.677253040000000, 0.910491070000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 117 coordinates: [ 0.343919710000000, 0.359205605000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 118 coordinates: [ 0.843919710000000, 0.359205605000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 119 coordinates: [ 0.343919710000000, 0.859205605000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 120 coordinates: [ 0.843919710000000, 0.859205605000000, 0.756175600000000 ] mass: 15.999400 reduced_to: 69born_effective_charge:- # 1 (Cd) - [ 2.494716280000000, 0.029495360000000, -0.000000000000000 ] - [ -0.029495360000000, 2.494716280000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.699542740000000 ]- # 2 (Cd) - [ 2.494716280000000, 0.029495360000000, -0.000000000000000 ] - [ -0.029495360000000, 2.494716280000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.699542740000000 ]- # 3 (Sn) - [ 4.121316100000000, -0.029708050000000, 0.000000000000000 ] - [ 0.029708050000000, 4.121316100000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 3.378596880000000 ]- # 4 (Sn) - [ 4.121316100000000, -0.029708050000000, 0.000000000000000 ] - [ 0.029708050000000, 4.121316100000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 3.378596880000000 ]- # 5 (O) - [ -2.302886560000000, -0.239379890000000, 0.304590640000000 ] - [ -0.239521680000000, -2.107801690000000, -0.288310580000000 ] - [ 0.437568770000000, -0.281015830000000, -2.026046540000000 ]- # 6 (O) - [ -1.949202444733936, 0.035322060612035, -0.401979606458922 ] - [ 0.035180271073943, -2.461485805266065, -0.119627942184613 ] - [ -0.462151232602938, -0.238437755491445, -2.026046539999999 ]- # 7 (O) - [ -2.363943370266140, 0.204270514009738, 0.097388966458922 ] - [ 0.204128724304122, -2.046744879733860, 0.407938522184613 ] - [ 0.024582462602938, 0.519453585491445, -2.026046539999999 ]- # 8 (O) - [ -2.363943370266140, 0.204270514009738, 0.097388966458922 ] - [ 0.204128724304122, -2.046744879733860, 0.407938522184613 ] - [ 0.024582462602938, 0.519453585491445, -2.026046539999999 ]- # 9 (O) - [ -1.949202444733936, 0.035322060612035, -0.401979606458922 ] - [ 0.035180271073943, -2.461485805266065, -0.119627942184613 ] - [ -0.462151232602938, -0.238437755491445, -2.026046539999999 ]- # 10 (O) - [ -2.302886560000000, -0.239379890000000, 0.304590640000000 ] - [ -0.239521680000000, -2.107801690000000, -0.288310580000000 ] - [ 0.437568770000000, -0.281015830000000, -2.026046540000000 ]dielectric_constant: - [ 5.390793600000000, 0.000002770000000, 0.000000000000000 ] - [ -0.000002770000000, 5.390793590000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.566795280000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000910355, 0.0000000000000000 ] forces: - [ -0.0869046100000000, -0.0001861900000000, 0.0005696100000000 ] - [ 0.0044849800000000, 0.0000508700000000, 0.0001934200000000 ] - [ 0.0008208500000000, -0.0021581600000000, -0.0002010600000000 ] - [ 0.0007319800000000, 0.0021081400000000, 0.0000845900000000 ] - [ -0.0027019900000000, -0.0000009000000000, -0.0000415400000000 ] - [ 0.0021068800000000, -0.0000427700000000, 0.0002094600000000 ] - [ 0.0002090500000000, -0.0010510800000000, -0.0001528500000000 ] - [ 0.0002829500000000, 0.0010924700000000, -0.0001981000000000 ] - [ -0.0007404100000000, -0.0003039600000000, -0.0000836700000000 ] - [ 0.0003791100000000, 0.0000949400000000, 0.0000437400000000 ] - [ 0.0003222300000000, -0.0003855600000000, -0.0004223000000000 ] - [ -0.0001397700000000, 0.0005731300000000, 0.0006356400000000 ] - [ -0.0047905900000000, 0.0003946200000000, 0.0019547000000000 ] - [ 0.0009107800000000, -0.0000044700000000, -0.0000433600000000 ] - [ 0.0090062200000000, -0.0083106200000000, -0.0061561200000000 ] - [ 0.0097406900000000, 0.0080460200000000, 0.0041241100000000 ] - [ 0.0003173100000000, -0.0003076000000000, -0.0009943900000000 ] - [ -0.0001375400000000, 0.0006516900000000, 0.0011003700000000 ] - [ -0.0007386100000000, -0.0002243900000000, 0.0000349600000000 ] - [ 0.0003785200000000, -0.0000944100000000, 0.0000454800000000 ] - [ 0.0001190300000000, -0.0001390900000000, 0.0004617900000000 ] - [ 0.0000458500000000, 0.0001809500000000, -0.0004778600000000 ] - [ -0.0001954600000000, -0.0000424700000000, -0.0000605200000000 ] - [ 0.0001353400000000, -0.0000001100000000, -0.0000239400000000 ] - [ 0.0082039000000000, -0.0059855200000000, -0.0068921800000000 ] - [ 0.0074317200000000, 0.0130207600000000, 0.0090759300000000 ] - [ -0.0085946000000000, 0.0028880800000000, -0.0024264800000000 ] - [ 0.0024383900000000, -0.0013212000000000, -0.0000623400000000 ] - [ -0.0067123100000000, -0.0023059200000000, -0.0027832300000000 ] - [ 0.0017895200000000, 0.0008789200000000, 0.0000259800000000 ] - [ 0.0050303900000000, -0.0106082700000000, 0.0087805800000000 ] - [ 0.0063391700000000, 0.0037563700000000, -0.0059414700000000 ] - [ -0.0122893400000000, 0.0001704400000000, -0.0000378900000000 ] - [ 0.0032155800000000, -0.0001207900000000, -0.0005073000000000 ] - [ 0.0004389200000000, -0.0016888700000000, 0.0002501400000000 ] - [ 0.0004728500000000, 0.0015062500000000, 0.0002565600000000 ] - [ 0.0043735600000000, -0.0056383100000000, 0.0046538400000000 ] - [ 0.0037529300000000, 0.0021301400000000, -0.0037942200000000 ] - [ -0.0026813900000000, -0.0023021000000000, -0.0008205100000000 ] - [ 0.0007785100000000, 0.0004986000000000, 0.0000077100000000 ] - [ -0.0003120900000000, -0.0000557700000000, -0.0000306200000000 ] - [ 0.0003039600000000, 0.0002409200000000, -0.0000252200000000 ] - [ -0.0000338700000000, -0.0002380300000000, 0.0001956700000000 ] - [ -0.0000173700000000, 0.0000949100000000, -0.0002464300000000 ] - [ -0.0005893800000000, 0.0001306000000000, 0.0000587800000000 ] - [ 0.0006213600000000, -0.0000384900000000, 0.0002169600000000 ] - [ 0.0000312800000000, -0.0003881800000000, 0.0000192200000000 ] - [ 0.0000206500000000, 0.0002956800000000, -0.0000488800000000 ] - [ 0.0114843500000000, -0.0122272900000000, -0.0051732700000000 ] - [ -0.0035959100000000, -0.0021044100000000, 0.0000413800000000 ] - [ 0.0018745100000000, 0.0041683500000000, -0.0007625000000000 ] - [ -0.0022585100000000, -0.0016909100000000, 0.0002859200000000 ] - [ -0.0003083700000000, 0.0005804800000000, 0.0031571600000000 ] - [ -0.0033696400000000, -0.0009254800000000, -0.0054238300000000 ] - [ 0.0002521200000000, 0.0006512600000000, -0.0000649900000000 ] - [ 0.0001047300000000, -0.0007535000000000, 0.0000495400000000 ] - [ -0.0016321800000000, 0.0003975900000000, 0.0004430100000000 ] - [ 0.0028453000000000, -0.0019634300000000, -0.0014535800000000 ] - [ -0.0001214400000000, -0.0019356200000000, 0.0030779000000000 ] - [ -0.0004870000000000, 0.0009468800000000, -0.0005627800000000 ] - [ -0.0016656200000000, 0.0012368000000000, 0.0000040200000000 ] - [ 0.0022734400000000, -0.0037131600000000, -0.0007721600000000 ] - [ 0.0129108400000000, 0.0153743400000000, -0.0072338300000000 ] - [ -0.0044996300000000, 0.0024833800000000, -0.0002590800000000 ] - [ -0.0047941900000000, -0.0000812700000000, 0.0015307100000000 ] - [ 0.0345471900000000, 0.0004333500000000, 0.0116086200000000 ] - [ 0.0002407400000000, -0.0020596500000000, -0.0000632200000000 ] - [ 0.0002122500000000, 0.0023693600000000, -0.0000416200000000 ] - [ -0.0008287700000000, 0.0014302200000000, 0.0023952900000000 ] - [ -0.0004366300000000, -0.0010561800000000, -0.0003017600000000 ] - [ 0.0035012300000000, 0.0020983500000000, -0.0016263000000000 ] - [ -0.0016325200000000, -0.0003652200000000, 0.0005882600000000 ] - [ -0.0012771400000000, -0.0001908200000000, -0.0013092100000000 ] - [ -0.0004981800000000, 0.0004310000000000, 0.0017246900000000 ] - [ 0.0000653400000000, -0.0003516400000000, -0.0002921100000000 ] - [ 0.0000490000000000, 0.0003779700000000, 0.0000839800000000 ] - [ 0.0052572900000000, -0.0003037700000000, -0.0002192600000000 ] - [ -0.0018885700000000, -0.0002886500000000, -0.0005899000000000 ] - [ -0.0001640600000000, 0.0021809400000000, -0.0007148100000000 ] - [ -0.0006167700000000, -0.0012365200000000, 0.0001914700000000 ] - [ 0.0059300600000000, 0.0007441900000000, -0.0001494300000000 ] - [ -0.0029654600000000, -0.0005250100000000, 0.0020454100000000 ] - [ -0.0001775000000000, 0.0009975900000000, 0.0000560200000000 ] - [ -0.0000566600000000, -0.0007831600000000, 0.0000771500000000 ] - [ 0.0020217500000000, 0.0015980500000000, -0.0022372900000000 ] - [ -0.0007796700000000, -0.0003368900000000, 0.0005558300000000 ] - [ -0.0001177800000000, 0.0005379500000000, 0.0004784300000000 ] - [ -0.0001247900000000, -0.0002708700000000, -0.0000991100000000 ] - [ -0.0003763200000000, 0.0004218400000000, -0.0003512100000000 ] - [ -0.0001010900000000, -0.0008028900000000, 0.0007487800000000 ] - [ 0.0017467400000000, -0.0011294500000000, 0.0004302600000000 ] - [ -0.0006320200000000, 0.0002366300000000, -0.0000730000000000 ] - [ 0.0045757600000000, 0.0007152800000000, 0.0007058100000000 ] - [ -0.0023143600000000, 0.0003047900000000, -0.0001733700000000 ] - [ -0.0005283600000000, 0.0010923300000000, 0.0005906700000000 ] - [ 0.0007918200000000, -0.0015654600000000, -0.0012593100000000 ] - [ 0.0003378300000000, -0.0000385000000000, 0.0001734700000000 ] - [ -0.0002580600000000, 0.0001794200000000, -0.0003545300000000 ] - [ -0.0002109000000000, 0.0001070000000000, 0.0002146400000000 ] - [ 0.0000424000000000, -0.0002303100000000, -0.0001878600000000 ] - [ 0.0003397400000000, -0.0001369200000000, 0.0000375700000000 ] - [ -0.0002762000000000, 0.0000506300000000, -0.0001523300000000 ] - [ -0.0000511200000000, 0.0001262700000000, 0.0000099900000000 ] - [ 0.0000497500000000, -0.0000712900000000, 0.0000630800000000 ] - [ 0.0002010100000000, 0.0000838700000000, 0.0000586700000000 ] - [ -0.0002119200000000, -0.0000684400000000, -0.0000324300000000 ] - [ 0.0000090000000000, 0.0001427700000000, -0.0001218800000000 ] - [ -0.0000984700000000, -0.0001369600000000, 0.0001136100000000 ] - [ 0.0003829600000000, 0.0001120800000000, -0.0004529600000000 ] - [ -0.0003639600000000, -0.0000870800000000, 0.0002919700000000 ] - [ 0.0000832600000000, 0.0001994200000000, 0.0000544400000000 ] - [ 0.0000423400000000, -0.0002581600000000, 0.0001440100000000 ] - [ 0.0004615300000000, 0.0000536600000000, 0.0002083500000000 ] - [ -0.0004335400000000, -0.0002455200000000, -0.0004363500000000 ] - [ -0.0000649000000000, 0.0002495500000000, -0.0001726400000000 ] - [ -0.0000982800000000, -0.0000501800000000, 0.0002292200000000 ] - [ 0.0001003700000000, -0.0001081400000000, -0.0000693500000000 ] - [ -0.0001344700000000, 0.0000386300000000, 0.0000835000000000 ] - [ -0.0000000700000000, 0.0001513600000000, 0.0000642600000000 ] - [ 0.0000612700000000, -0.0000720800000000, 0.0000434000000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000910355, 0.0000000000000000 ] forces: - [ 0.0888821500000000, -0.0001854200000000, 0.0005892000000000 ] - [ -0.0044703700000000, -0.0000509000000000, -0.0001399000000000 ] - [ -0.0008220600000000, 0.0021640400000000, 0.0002507600000000 ] - [ -0.0007361400000000, -0.0021126100000000, -0.0000349900000000 ] - [ 0.0027038500000000, -0.0000011800000000, -0.0000410900000000 ] - [ -0.0021064900000000, 0.0000418700000000, -0.0003054800000000 ] - [ -0.0002112300000000, 0.0010537000000000, 0.0000592300000000 ] - [ -0.0002847100000000, -0.0010972600000000, 0.0001039700000000 ] - [ 0.0007392700000000, 0.0003048900000000, 0.0001689500000000 ] - [ -0.0003785800000000, -0.0000971200000000, 0.0000437500000000 ] - [ -0.0003156400000000, 0.0003877700000000, 0.0005075000000000 ] - [ 0.0001376200000000, -0.0005699000000000, -0.0005469900000000 ] - [ 0.0047899900000000, -0.0003506300000000, -0.0020574900000000 ] - [ -0.0009118100000000, -0.0000043800000000, -0.0000432600000000 ] - [ -0.0090934400000000, 0.0084163300000000, 0.0061455900000000 ] - [ -0.0096496400000000, -0.0079360700000000, -0.0041650300000000 ] - [ -0.0003204200000000, 0.0003060900000000, 0.0010885300000000 ] - [ 0.0001399700000000, -0.0006508000000000, -0.0010074600000000 ] - [ 0.0007407900000000, 0.0002255200000000, 0.0000588500000000 ] - [ -0.0003789300000000, 0.0000979300000000, 0.0000454500000000 ] - [ -0.0001200300000000, 0.0001376600000000, -0.0005107000000000 ] - [ -0.0000453900000000, -0.0001807600000000, 0.0004258800000000 ] - [ 0.0001926200000000, 0.0000423300000000, 0.0000079600000000 ] - [ -0.0001355100000000, -0.0000002400000000, -0.0000240900000000 ] - [ -0.0082059900000000, 0.0059048300000000, 0.0067098200000000 ] - [ -0.0075018300000000, -0.0130687700000000, -0.0092845300000000 ] - [ 0.0086271900000000, -0.0029315800000000, 0.0023273800000000 ] - [ -0.0024382900000000, 0.0013381300000000, -0.0000631700000000 ] - [ 0.0067373100000000, 0.0023313100000000, 0.0028626300000000 ] - [ -0.0017914200000000, -0.0008908200000000, 0.0000280300000000 ] - [ -0.0050741100000000, 0.0106328600000000, -0.0087760000000000 ] - [ -0.0063685000000000, -0.0037009900000000, 0.0059716400000000 ] - [ 0.0122535500000000, -0.0001544800000000, -0.0000394600000000 ] - [ -0.0032181300000000, 0.0001235100000000, 0.0005165500000000 ] - [ -0.0004314200000000, 0.0016885200000000, -0.0002575300000000 ] - [ -0.0004655700000000, -0.0015011800000000, -0.0002631100000000 ] - [ -0.0043670200000000, 0.0056142000000000, -0.0046105300000000 ] - [ -0.0037286100000000, -0.0021533300000000, 0.0038327600000000 ] - [ 0.0026622200000000, 0.0022730600000000, 0.0008178000000000 ] - [ -0.0007845600000000, -0.0004878900000000, 0.0000083600000000 ] - [ 0.0003160400000000, 0.0000571800000000, -0.0000269700000000 ] - [ -0.0003021500000000, -0.0002410400000000, -0.0000275900000000 ] - [ 0.0000367700000000, 0.0002384400000000, -0.0002484900000000 ] - [ 0.0000164500000000, -0.0000949500000000, 0.0001920600000000 ] - [ 0.0005895300000000, -0.0001326500000000, 0.0000620400000000 ] - [ -0.0006194300000000, 0.0000357900000000, -0.0000893600000000 ] - [ -0.0000317600000000, 0.0003887900000000, 0.0001057600000000 ] - [ -0.0000216600000000, -0.0002964000000000, 0.0001712000000000 ] - [ -0.0114906400000000, 0.0118414500000000, 0.0050054000000000 ] - [ 0.0035776600000000, 0.0020830100000000, -0.0000503600000000 ] - [ -0.0019062900000000, -0.0042149900000000, 0.0007518300000000 ] - [ 0.0022527100000000, 0.0016602400000000, -0.0002985600000000 ] - [ 0.0003402300000000, -0.0006164000000000, -0.0030999300000000 ] - [ 0.0033930100000000, 0.0008873300000000, 0.0054685300000000 ] - [ -0.0002312000000000, -0.0006869700000000, 0.0001175700000000 ] - [ -0.0000828800000000, 0.0007177400000000, 0.0000041200000000 ] - [ 0.0015898300000000, -0.0003930400000000, -0.0003877700000000 ] - [ -0.0028996000000000, 0.0019689500000000, 0.0015055600000000 ] - [ 0.0000783400000000, 0.0019451500000000, -0.0030444100000000 ] - [ 0.0004427200000000, -0.0009495300000000, 0.0006151400000000 ] - [ 0.0017043700000000, -0.0012325700000000, -0.0000212300000000 ] - [ -0.0022557900000000, 0.0037295700000000, 0.0007568100000000 ] - [ -0.0127377700000000, -0.0148274300000000, 0.0069356500000000 ] - [ 0.0045318700000000, -0.0024894800000000, 0.0002542600000000 ] - [ 0.0047508800000000, 0.0001002700000000, -0.0015187000000000 ] - [ -0.0367986200000000, -0.0003120700000000, -0.0127650700000000 ] - [ -0.0002587300000000, 0.0020959400000000, 0.0000450900000000 ] - [ -0.0002323500000000, -0.0023564000000000, 0.0000202100000000 ] - [ 0.0008591800000000, -0.0013998400000000, -0.0023649700000000 ] - [ 0.0004571400000000, 0.0010941500000000, 0.0003535500000000 ] - [ -0.0034900100000000, -0.0020653000000000, 0.0016792400000000 ] - [ 0.0016550100000000, 0.0003970500000000, -0.0005359100000000 ] - [ 0.0012686800000000, 0.0001595000000000, 0.0012470800000000 ] - [ 0.0004784500000000, -0.0004609600000000, -0.0017718300000000 ] - [ -0.0000768600000000, 0.0003223200000000, 0.0002360100000000 ] - [ -0.0000569100000000, -0.0004079800000000, -0.0001437000000000 ] - [ -0.0052063600000000, 0.0003323000000000, 0.0003543100000000 ] - [ 0.0019055300000000, 0.0002599800000000, 0.0006399500000000 ] - [ 0.0001927400000000, -0.0021934800000000, 0.0007786500000000 ] - [ 0.0006360100000000, 0.0012179500000000, -0.0001388900000000 ] - [ -0.0057205400000000, -0.0007970400000000, 0.0005314100000000 ] - [ 0.0029463500000000, 0.0005264000000000, -0.0020111000000000 ] - [ 0.0001409500000000, -0.0009961700000000, -0.0000023200000000 ] - [ 0.0000253100000000, 0.0007716500000000, -0.0000173700000000 ] - [ -0.0019826000000000, -0.0015869200000000, 0.0021683600000000 ] - [ 0.0008091600000000, 0.0003476500000000, -0.0006199300000000 ] - [ 0.0001441400000000, -0.0005247700000000, -0.0005282400000000 ] - [ 0.0001593400000000, 0.0002749600000000, 0.0000401600000000 ] - [ 0.0003522500000000, -0.0003961400000000, 0.0002914400000000 ] - [ 0.0000746000000000, 0.0008212600000000, -0.0008065400000000 ] - [ -0.0017572500000000, 0.0011477200000000, -0.0004829600000000 ] - [ 0.0006061200000000, -0.0002184900000000, 0.0000102400000000 ] - [ -0.0045932800000000, -0.0007571700000000, -0.0005449400000000 ] - [ 0.0023228500000000, -0.0002690700000000, 0.0002223200000000 ] - [ 0.0005380300000000, -0.0010656800000000, -0.0005384700000000 ] - [ -0.0007733600000000, 0.0015894200000000, 0.0013113000000000 ] - [ -0.0003600300000000, 0.0000015800000000, -0.0002218300000000 ] - [ 0.0002353900000000, -0.0002175200000000, 0.0003034500000000 ] - [ 0.0001925900000000, -0.0001418000000000, -0.0002650900000000 ] - [ -0.0000671900000000, 0.0001943500000000, 0.0001415300000000 ] - [ -0.0003221800000000, 0.0001108700000000, -0.0000187200000000 ] - [ 0.0002940700000000, -0.0000755300000000, 0.0001720300000000 ] - [ 0.0000656400000000, -0.0001561500000000, 0.0000052500000000 ] - [ -0.0000324600000000, 0.0000449100000000, -0.0000459700000000 ] - [ -0.0002337500000000, -0.0000848800000000, -0.0000377300000000 ] - [ 0.0001806600000000, 0.0000674100000000, 0.0000486500000000 ] - [ -0.0000422300000000, -0.0001409000000000, 0.0001395400000000 ] - [ 0.0000651600000000, 0.0001378100000000, -0.0000933200000000 ] - [ -0.0003421200000000, -0.0001114400000000, 0.0004021400000000 ] - [ 0.0004086000000000, 0.0000861500000000, -0.0003429500000000 ] - [ -0.0000418500000000, -0.0002009200000000, -0.0001029700000000 ] - [ -0.0000010300000000, 0.0002614200000000, -0.0001967000000000 ] - [ -0.0004836200000000, -0.0000162900000000, -0.0002590500000000 ] - [ 0.0004084600000000, 0.0002805300000000, 0.0003809000000000 ] - [ 0.0000434400000000, -0.0002153900000000, 0.0001258000000000 ] - [ 0.0000782600000000, 0.0000869300000000, -0.0002766800000000 ] - [ -0.0000838300000000, 0.0001347100000000, 0.0000882500000000 ] - [ 0.0001472000000000, -0.0000119100000000, -0.0000631200000000 ] - [ 0.0000193700000000, -0.0001212500000000, -0.0000472900000000 ] - [ -0.0000454600000000, 0.0000998400000000, -0.0000255600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0686553500000000 ] - [ 0.0001672100000000, 0.0001648400000000, -0.0033374100000000 ] - [ -0.0002263600000000, 0.0000623900000000, -0.0033374100000000 ] - [ 0.0000591500000000, -0.0002272300000000, -0.0033374100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051371500000000 ] - [ 0.0002592000000000, -0.0000259100000000, 0.0012217200000000 ] - [ -0.0001071700000000, 0.0002374300000000, 0.0012217200000000 ] - [ -0.0001520400000000, -0.0002115200000000, 0.0012217200000000 ] - [ -0.0000133800000000, -0.0012117200000000, 0.0020258700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012659900000000 ] - [ -0.0010426900000000, 0.0006174400000000, 0.0020258700000000 ] - [ 0.0010560700000000, 0.0005942700000000, 0.0020258700000000 ] - [ 0.0020100000000000, -0.0059461200000000, -0.0067152400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031330700000000 ] - [ -0.0061544800000000, 0.0012323500000000, -0.0067152400000000 ] - [ 0.0041444900000000, 0.0047137700000000, -0.0067152400000000 ] - [ -0.0004639700000000, 0.0004112600000000, 0.0020285500000000 ] - [ 0.0005881500000000, 0.0001961800000000, 0.0020285500000000 ] - [ -0.0001241700000000, -0.0006074400000000, 0.0020285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012702300000000 ] - [ 0.0004875200000000, -0.0002413400000000, 0.0019487700000000 ] - [ -0.0004527700000000, -0.0003015300000000, 0.0019487700000000 ] - [ -0.0000347500000000, 0.0005428800000000, 0.0019487700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011326400000000 ] - [ -0.0085216700000000, 0.0024354900000000, 0.0019042200000000 ] - [ 0.0063700300000000, 0.0061622400000000, 0.0019042200000000 ] - [ 0.0021516400000000, -0.0085977200000000, 0.0019042200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002293500000000 ] - [ 0.0015699100000000, 0.0069739700000000, 0.0026969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002442400000000 ] - [ 0.0052546900000000, -0.0048465700000000, 0.0026969600000000 ] - [ -0.0068245900000000, -0.0021274100000000, 0.0026969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305412300000000 ] - [ 0.0004177700000000, 0.0005210800000000, -0.0001706600000000 ] - [ -0.0006601500000000, 0.0001012600000000, -0.0001706600000000 ] - [ 0.0002423800000000, -0.0006223400000000, -0.0001706600000000 ] - [ 0.0058638300000000, -0.0065280700000000, 0.0030411300000000 ] - [ -0.0085853900000000, -0.0018141900000000, 0.0030411300000000 ] - [ 0.0027215600000000, 0.0083422600000000, 0.0030411300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004468400000000 ] - [ 0.0000009800000000, 0.0000965800000000, 0.0023683400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019363500000000 ] - [ 0.0000831500000000, -0.0000491400000000, 0.0023683400000000 ] - [ -0.0000841300000000, -0.0000474400000000, 0.0023683400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030065700000000 ] - [ -0.0001393900000000, 0.0000053400000000, 0.0021370400000000 ] - [ 0.0000650700000000, -0.0001233900000000, 0.0021370400000000 ] - [ 0.0000743200000000, 0.0001180400000000, 0.0021370400000000 ] - [ -0.0055159400000000, 0.0093943100000000, 0.0063958300000000 ] - [ -0.0013182200000000, -0.0006032300000000, 0.0012973500000000 ] - [ -0.0014436600000000, 0.0019697400000000, 0.0025756100000000 ] - [ 0.0011984900000000, 0.0007822900000000, 0.0011327900000000 ] - [ 0.0021704200000000, -0.0004448100000000, -0.0022039300000000 ] - [ -0.0014761800000000, -0.0002584700000000, -0.0018818100000000 ] - [ -0.0000466200000000, 0.0005588100000000, -0.0000998200000000 ] - [ -0.0000414900000000, -0.0004919300000000, -0.0002953700000000 ] - [ 0.0005072500000000, -0.0002390300000000, -0.0000998200000000 ] - [ -0.0014704300000000, -0.0016572300000000, -0.0022039300000000 ] - [ 0.0005142500000000, 0.0014076400000000, -0.0018818100000000 ] - [ -0.0004052800000000, 0.0002819000000000, -0.0002953700000000 ] - [ 0.0011815200000000, -0.0008400000000000, 0.0012973500000000 ] - [ -0.0009840200000000, -0.0022351200000000, 0.0025756100000000 ] - [ -0.0053777400000000, -0.0094741000000000, 0.0063958300000000 ] - [ -0.0012767300000000, 0.0006467800000000, 0.0011327900000000 ] - [ 0.0024276800000000, 0.0002653800000000, 0.0025756100000000 ] - [ 0.0108936800000000, 0.0000797900000000, 0.0063958300000000 ] - [ 0.0001367000000000, 0.0014432200000000, 0.0012973500000000 ] - [ 0.0000782400000000, -0.0014290700000000, 0.0011327900000000 ] - [ 0.0009619300000000, -0.0011491700000000, -0.0018818100000000 ] - [ -0.0004606400000000, -0.0003197800000000, -0.0000998200000000 ] - [ -0.0006999900000000, 0.0021020400000000, -0.0022039300000000 ] - [ 0.0004467700000000, 0.0002100400000000, -0.0002953700000000 ] - [ -0.0017576500000000, -0.0002511400000000, -0.0013988700000000 ] - [ 0.0022401100000000, -0.0004326100000000, -0.0034429700000000 ] - [ -0.0000150800000000, -0.0004500000000000, -0.0003595300000000 ] - [ 0.0001910400000000, 0.0003220100000000, -0.0002729600000000 ] - [ -0.0010632300000000, 0.0000957200000000, 0.0057458300000000 ] - [ -0.0005716400000000, -0.0003409800000000, 0.0010318700000000 ] - [ -0.0002993800000000, 0.0021075800000000, 0.0014705200000000 ] - [ 0.0013772900000000, 0.0013380000000000, 0.0014284800000000 ] - [ 0.0006145100000000, 0.0008729300000000, 0.0057458300000000 ] - [ 0.0019749100000000, -0.0007945200000000, 0.0014705200000000 ] - [ 0.0004700900000000, -0.0018617700000000, 0.0014284800000000 ] - [ -0.0000094800000000, 0.0006655500000000, 0.0010318700000000 ] - [ -0.0007454000000000, 0.0021563000000000, -0.0034429700000000 ] - [ 0.0003972500000000, 0.0002119400000000, -0.0003595300000000 ] - [ 0.0010963200000000, -0.0013965900000000, -0.0013988700000000 ] - [ -0.0003743900000000, 0.0000044400000000, -0.0002729600000000 ] - [ -0.0003821700000000, 0.0002380600000000, -0.0003595300000000 ] - [ 0.0006613300000000, 0.0016477400000000, -0.0013988700000000 ] - [ -0.0014947100000000, -0.0017236900000000, -0.0034429700000000 ] - [ 0.0001833500000000, -0.0003264500000000, -0.0002729600000000 ] - [ 0.0004487200000000, -0.0009686400000000, 0.0057458300000000 ] - [ -0.0018473900000000, 0.0005237700000000, 0.0014284800000000 ] - [ 0.0005811200000000, -0.0003245700000000, 0.0010318700000000 ] - [ -0.0016755300000000, -0.0013130600000000, 0.0014705200000000 ] - [ 0.0004531200000000, -0.0001257700000000, -0.0017585500000000 ] - [ 0.0001555100000000, -0.0001134200000000, -0.0012131300000000 ] - [ 0.0002873000000000, -0.0001868100000000, -0.0011982300000000 ] - [ 0.0001593000000000, -0.0003887800000000, -0.0013266400000000 ] - [ -0.0003389000000000, -0.0000728100000000, -0.0016923000000000 ] - [ -0.0002793700000000, -0.0000820300000000, -0.0011479400000000 ] - [ -0.0001406300000000, -0.0001901600000000, -0.0011424500000000 ] - [ -0.0003699400000000, -0.0002739400000000, -0.0013201900000000 ] - [ 0.0001064000000000, 0.0003299000000000, -0.0016923000000000 ] - [ -0.0000943700000000, 0.0002168700000000, -0.0011424500000000 ] - [ -0.0000522700000000, 0.0004573500000000, -0.0013201900000000 ] - [ 0.0000686400000000, 0.0002829600000000, -0.0011479400000000 ] - [ -0.0001176400000000, 0.0004553000000000, -0.0017585500000000 ] - [ 0.0002570500000000, 0.0003323500000000, -0.0013266400000000 ] - [ 0.0000204700000000, 0.0001913800000000, -0.0012131300000000 ] - [ 0.0000181300000000, 0.0003422100000000, -0.0011982300000000 ] - [ -0.0003354800000000, -0.0003295300000000, -0.0017585500000000 ] - [ -0.0003054300000000, -0.0001554100000000, -0.0011982300000000 ] - [ -0.0004163500000000, 0.0000564300000000, -0.0013266400000000 ] - [ -0.0001759800000000, -0.0000779700000000, -0.0012131300000000 ] - [ 0.0002325000000000, -0.0002570900000000, -0.0016923000000000 ] - [ 0.0004222100000000, -0.0001834100000000, -0.0013201900000000 ] - [ 0.0002107300000000, -0.0002009300000000, -0.0011479400000000 ] - [ 0.0002350000000000, -0.0000267100000000, -0.0011424500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0668937000000000 ] - [ -0.0001659100000000, -0.0001651200000000, 0.0033834700000000 ] - [ 0.0002259500000000, -0.0000611200000000, 0.0033834700000000 ] - [ -0.0000600400000000, 0.0002262400000000, 0.0033834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052682000000000 ] - [ -0.0002553300000000, 0.0000253800000000, -0.0013141700000000 ] - [ 0.0001056900000000, -0.0002338100000000, -0.0013141700000000 ] - [ 0.0001496400000000, 0.0002084300000000, -0.0013141700000000 ] - [ 0.0000110000000000, 0.0012072800000000, -0.0019367200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011766300000000 ] - [ 0.0010400300000000, -0.0006131700000000, -0.0019367200000000 ] - [ -0.0010510300000000, -0.0005941100000000, -0.0019367200000000 ] - [ -0.0020017200000000, 0.0059409100000000, 0.0065837900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030364200000000 ] - [ 0.0061458400000000, -0.0012369100000000, 0.0065837900000000 ] - [ -0.0041441200000000, -0.0047039900000000, 0.0065837900000000 ] - [ 0.0004651700000000, -0.0004171600000000, -0.0019333400000000 ] - [ -0.0005938500000000, -0.0001942700000000, -0.0019333400000000 ] - [ 0.0001286800000000, 0.0006114300000000, -0.0019333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011728900000000 ] - [ -0.0004844900000000, 0.0002408300000000, -0.0020006400000000 ] - [ 0.0004508100000000, 0.0002991700000000, -0.0020006400000000 ] - [ 0.0000336800000000, -0.0005400000000000, -0.0020006400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011863600000000 ] - [ 0.0085309900000000, -0.0024614100000000, -0.0019944000000000 ] - [ -0.0063971400000000, -0.0061573500000000, -0.0019944000000000 ] - [ -0.0021338600000000, 0.0086187600000000, -0.0019944000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001164300000000 ] - [ -0.0015487900000000, -0.0069964700000000, -0.0026196500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003063700000000 ] - [ -0.0052847200000000, 0.0048395200000000, -0.0026196500000000 ] - [ 0.0068335100000000, 0.0021569400000000, -0.0026196500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300178200000000 ] - [ -0.0004190900000000, -0.0005200200000000, 0.0001638400000000 ] - [ 0.0006599000000000, -0.0001029400000000, 0.0001638400000000 ] - [ -0.0002408000000000, 0.0006229600000000, 0.0001638400000000 ] - [ -0.0058372300000000, 0.0065153900000000, -0.0030133900000000 ] - [ 0.0085611100000000, 0.0017975000000000, -0.0030133900000000 ] - [ -0.0027238700000000, -0.0083128900000000, -0.0030133900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004526200000000 ] - [ -0.0000007600000000, -0.0001001900000000, -0.0024172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019834000000000 ] - [ -0.0000863800000000, 0.0000507600000000, -0.0024172000000000 ] - [ 0.0000871500000000, 0.0000494300000000, -0.0024172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028936000000000 ] - [ 0.0001412900000000, -0.0000066300000000, -0.0020160900000000 ] - [ -0.0000649000000000, 0.0001256700000000, -0.0020160900000000 ] - [ -0.0000763800000000, -0.0001190400000000, -0.0020160900000000 ] - [ 0.0056060800000000, -0.0096438700000000, -0.0063932100000000 ] - [ 0.0012997600000000, 0.0005706600000000, -0.0013275600000000 ] - [ 0.0014289500000000, -0.0019960200000000, -0.0026117600000000 ] - [ -0.0012004600000000, -0.0008067300000000, -0.0011633900000000 ] - [ -0.0021610800000000, 0.0004117000000000, 0.0022679800000000 ] - [ 0.0014950900000000, 0.0002206900000000, 0.0019199100000000 ] - [ 0.0000701700000000, -0.0005974900000000, 0.0001579300000000 ] - [ 0.0000665500000000, 0.0004584200000000, 0.0003543100000000 ] - [ -0.0005525200000000, 0.0002379800000000, 0.0001579300000000 ] - [ 0.0014370900000000, 0.0016657000000000, 0.0022679800000000 ] - [ -0.0005564200000000, -0.0014051300000000, 0.0019199100000000 ] - [ 0.0003637300000000, -0.0002868400000000, 0.0003543100000000 ] - [ -0.0011440800000000, 0.0008403000000000, -0.0013275600000000 ] - [ 0.0010141300000000, 0.0022355100000000, -0.0026117600000000 ] - [ 0.0055488000000000, 0.0096769400000000, -0.0063932100000000 ] - [ 0.0012988800000000, -0.0006362700000000, -0.0011633900000000 ] - [ -0.0024430800000000, -0.0002395000000000, -0.0026117600000000 ] - [ -0.0111548700000000, -0.0000330700000000, -0.0063932100000000 ] - [ -0.0001556800000000, -0.0014109500000000, -0.0013275600000000 ] - [ -0.0000984100000000, 0.0014429900000000, -0.0011633900000000 ] - [ -0.0009386600000000, 0.0011844400000000, 0.0019199100000000 ] - [ 0.0004823500000000, 0.0003595100000000, 0.0001579300000000 ] - [ 0.0007239900000000, -0.0020774000000000, 0.0022679800000000 ] - [ -0.0004302800000000, -0.0001715800000000, 0.0003543100000000 ] - [ 0.0017514400000000, 0.0002170300000000, 0.0013353800000000 ] - [ -0.0022373300000000, 0.0004054200000000, 0.0033693900000000 ] - [ 0.0000077000000000, 0.0004151500000000, 0.0002895500000000 ] - [ -0.0001964200000000, -0.0003514800000000, 0.0002053500000000 ] - [ 0.0009316400000000, 0.0002554200000000, -0.0052705700000000 ] - [ 0.0005945800000000, 0.0003188000000000, -0.0009636100000000 ] - [ 0.0003226300000000, -0.0021195000000000, -0.0013973400000000 ] - [ -0.0013506200000000, -0.0013584400000000, -0.0013604400000000 ] - [ -0.0002446200000000, -0.0009345300000000, -0.0052705700000000 ] - [ -0.0019968500000000, 0.0007803400000000, -0.0013973400000000 ] - [ -0.0005011300000000, 0.0018488900000000, -0.0013604400000000 ] - [ -0.0000212000000000, -0.0006743200000000, -0.0009636100000000 ] - [ 0.0007675700000000, -0.0021403000000000, 0.0033693900000000 ] - [ -0.0003633800000000, -0.0002009100000000, 0.0002895500000000 ] - [ -0.0010636700000000, 0.0014082800000000, 0.0013353800000000 ] - [ 0.0004026000000000, 0.0000056300000000, 0.0002053500000000 ] - [ 0.0003556800000000, -0.0002142500000000, 0.0002895500000000 ] - [ -0.0006877700000000, -0.0016253100000000, 0.0013353800000000 ] - [ 0.0014697700000000, 0.0017348800000000, 0.0033693900000000 ] - [ -0.0002061800000000, 0.0003458500000000, 0.0002053500000000 ] - [ -0.0006870200000000, 0.0006791100000000, -0.0052705700000000 ] - [ 0.0018517500000000, -0.0004904500000000, -0.0013604400000000 ] - [ -0.0005733800000000, 0.0003555200000000, -0.0009636100000000 ] - [ 0.0016742200000000, 0.0013391500000000, -0.0013973400000000 ] - [ -0.0004737800000000, 0.0000860100000000, 0.0017000100000000 ] - [ -0.0001742100000000, 0.0000743600000000, 0.0011489000000000 ] - [ -0.0003035600000000, 0.0001474400000000, 0.0011336500000000 ] - [ -0.0001785300000000, 0.0003516900000000, 0.0012676400000000 ] - [ 0.0003595800000000, 0.0000516000000000, 0.0017208200000000 ] - [ 0.0002986000000000, 0.0000553900000000, 0.0011769300000000 ] - [ 0.0001604800000000, 0.0001636400000000, 0.0011706000000000 ] - [ 0.0003867200000000, 0.0002477800000000, 0.0013484500000000 ] - [ -0.0001351000000000, -0.0003372100000000, 0.0017208200000000 ] - [ 0.0000614800000000, -0.0002208000000000, 0.0011706000000000 ] - [ 0.0000212200000000, -0.0004588000000000, 0.0013484500000000 ] - [ -0.0001013300000000, -0.0002862900000000, 0.0011769300000000 ] - [ 0.0001624000000000, -0.0004533100000000, 0.0017000100000000 ] - [ -0.0002153000000000, -0.0003304600000000, 0.0012676400000000 ] - [ 0.0000227000000000, -0.0001880500000000, 0.0011489000000000 ] - [ 0.0000240900000000, -0.0003366100000000, 0.0011336500000000 ] - [ 0.0003113700000000, 0.0003673000000000, 0.0017000100000000 ] - [ 0.0002794700000000, 0.0001891700000000, 0.0011336500000000 ] - [ 0.0003938400000000, -0.0000212300000000, 0.0012676400000000 ] - [ 0.0001515000000000, 0.0001136900000000, 0.0011489000000000 ] - [ -0.0002244800000000, 0.0002856000000000, 0.0017208200000000 ] - [ -0.0004079400000000, 0.0002110200000000, 0.0013484500000000 ] - [ -0.0001972700000000, 0.0002309000000000, 0.0011769300000000 ] - [ -0.0002219600000000, 0.0000571600000000, 0.0011706000000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000910355, 0.0000000000000000 ] forces: - [ 0.0081750400000000, -0.0125873100000000, -0.0084603700000000 ] - [ 0.0074789300000000, 0.0064081100000000, 0.0064428500000000 ] - [ -0.0086053500000000, -0.0037516400000000, 0.0021633200000000 ] - [ 0.0024395200000000, 0.0013253800000000, 0.0000251500000000 ] - [ 0.0050503200000000, -0.0044600900000000, 0.0052000400000000 ] - [ 0.0063686900000000, 0.0098859900000000, -0.0069051100000000 ] - [ -0.0067311300000000, 0.0038268400000000, 0.0015147100000000 ] - [ 0.0017909400000000, -0.0008904000000000, -0.0000489400000000 ] - [ -0.0000143500000000, 0.0002278900000000, -0.0000424600000000 ] - [ -0.0000328500000000, -0.0001055600000000, 0.0001282200000000 ] - [ 0.0003033200000000, -0.0002399900000000, 0.0000430900000000 ] - [ -0.0003118500000000, 0.0000782100000000, 0.0000441100000000 ] - [ 0.0037330200000000, 0.0059859200000000, -0.0086084500000000 ] - [ 0.0043624700000000, -0.0017910700000000, 0.0058156900000000 ] - [ 0.0007809000000000, -0.0004910200000000, -0.0000396800000000 ] - [ -0.0026682700000000, 0.0015531000000000, 0.0026725500000000 ] - [ -0.0122811100000000, -0.0001574300000000, 0.0000839700000000 ] - [ 0.0032146800000000, 0.0000836800000000, 0.0004565300000000 ] - [ 0.0004365900000000, -0.0014856500000000, -0.0006155200000000 ] - [ 0.0004688300000000, 0.0017112400000000, 0.0002869100000000 ] - [ -0.0005875500000000, -0.0001321100000000, -0.0000244800000000 ] - [ 0.0006193800000000, 0.0000489600000000, -0.0001645100000000 ] - [ 0.0000323500000000, -0.0003016700000000, 0.0000397800000000 ] - [ 0.0000217700000000, 0.0003817600000000, 0.0000507600000000 ] - [ -0.2517965600000000, 0.0013101200000000, -0.0004377900000000 ] - [ 0.0125027600000000, -0.0001081200000000, -0.0007350500000000 ] - [ 0.0024711200000000, -0.0056721700000000, -0.0000236300000000 ] - [ 0.0026578400000000, 0.0057819000000000, 0.0005699400000000 ] - [ 0.0369237600000000, 0.0297344300000000, 0.0109234000000000 ] - [ 0.0386453700000000, -0.0294133700000000, -0.0018182500000000 ] - [ 0.0006163500000000, 0.0000106200000000, 0.0000270600000000 ] - [ -0.0134330300000000, -0.0008173100000000, -0.0091136300000000 ] - [ -0.0003161000000000, -0.0012618200000000, -0.0019877400000000 ] - [ 0.0008726500000000, 0.0007816900000000, 0.0016899900000000 ] - [ -0.0014856200000000, 0.0007891300000000, 0.0002912700000000 ] - [ 0.0009620600000000, 0.0001429000000000, -0.0000046300000000 ] - [ -0.0039473300000000, -0.0000021500000000, 0.0000031500000000 ] - [ 0.0032050100000000, 0.0002314400000000, -0.0004380000000000 ] - [ 0.0004292200000000, -0.0018323000000000, 0.0003801200000000 ] - [ 0.0000273600000000, 0.0016005400000000, 0.0000756500000000 ] - [ 0.0008772800000000, 0.0005742700000000, 0.0016355700000000 ] - [ -0.0003181600000000, -0.0014629300000000, -0.0020294500000000 ] - [ 0.0009606100000000, -0.0001408300000000, -0.0000289300000000 ] - [ -0.0014889700000000, 0.0005842300000000, 0.0003098200000000 ] - [ 0.0002280900000000, -0.0008851100000000, 0.0013016800000000 ] - [ 0.0000384400000000, 0.0009924100000000, -0.0015152700000000 ] - [ -0.0014948400000000, -0.0001071500000000, 0.0003998300000000 ] - [ 0.0009432000000000, -0.0000021400000000, 0.0000581200000000 ] - [ 0.0614737200000000, 0.0042132400000000, -0.0287013300000000 ] - [ -0.0082611800000000, -0.0007598900000000, -0.0017173700000000 ] - [ 0.0004850500000000, 0.0029882100000000, 0.0005358000000000 ] - [ -0.0013754000000000, -0.0037142600000000, 0.0000335000000000 ] - [ 0.0197522000000000, -0.0065909900000000, 0.0106248700000000 ] - [ -0.0042100500000000, -0.0012439500000000, -0.0007302200000000 ] - [ 0.0007371600000000, 0.0066113500000000, 0.0026124100000000 ] - [ -0.0023385300000000, -0.0030938000000000, -0.0009932400000000 ] - [ 0.0381054100000000, -0.0035805800000000, -0.0187034600000000 ] - [ -0.0077116100000000, 0.0012363700000000, -0.0032446300000000 ] - [ -0.0013694900000000, 0.0029368500000000, -0.0001267200000000 ] - [ 0.0003503700000000, -0.0026294200000000, 0.0003132900000000 ] - [ 0.0341269400000000, -0.0255128900000000, 0.0167166400000000 ] - [ -0.0088270200000000, -0.0017459700000000, 0.0003115900000000 ] - [ 0.0028157800000000, 0.0035295300000000, 0.0005769100000000 ] - [ -0.0009318200000000, -0.0019512200000000, 0.0006051000000000 ] - [ 0.0230270700000000, 0.0155240200000000, 0.0135832100000000 ] - [ -0.0045285900000000, 0.0017860300000000, -0.0011716800000000 ] - [ -0.0034013900000000, 0.0037455300000000, -0.0003851300000000 ] - [ 0.0010039700000000, -0.0081408700000000, 0.0011136300000000 ] - [ 0.0256566200000000, 0.0098522700000000, 0.0069687100000000 ] - [ -0.0070342300000000, 0.0008167200000000, 0.0011997700000000 ] - [ -0.0006973900000000, 0.0020719200000000, 0.0004931800000000 ] - [ 0.0012060400000000, -0.0033565000000000, 0.0007018600000000 ] - [ 0.0009311600000000, -0.0002700800000000, -0.0006736600000000 ] - [ -0.0007084000000000, 0.0004946400000000, 0.0008607000000000 ] - [ -0.0002484800000000, 0.0000589100000000, -0.0002582300000000 ] - [ 0.0000164200000000, -0.0002980300000000, 0.0000664400000000 ] - [ -0.0002643800000000, 0.0014065100000000, 0.0005070800000000 ] - [ -0.0006066800000000, -0.0011832800000000, -0.0011475800000000 ] - [ 0.0040212800000000, -0.0019440800000000, 0.0013636400000000 ] - [ -0.0014939800000000, 0.0000873100000000, -0.0005056400000000 ] - [ 0.0028781700000000, 0.0014207900000000, 0.0021128700000000 ] - [ -0.0015984600000000, -0.0000251200000000, -0.0006184300000000 ] - [ 0.0001160800000000, 0.0016952700000000, -0.0024595000000000 ] - [ -0.0005703300000000, -0.0009084900000000, 0.0007846100000000 ] - [ 0.0004294000000000, -0.0002024600000000, 0.0004084700000000 ] - [ -0.0005115100000000, 0.0001241700000000, -0.0003948500000000 ] - [ 0.0001370600000000, 0.0005553400000000, -0.0005455700000000 ] - [ 0.0000077200000000, -0.0003841500000000, 0.0000797000000000 ] - [ 0.0007007700000000, 0.0002332500000000, 0.0001717000000000 ] - [ -0.0005381700000000, -0.0003466800000000, 0.0000915100000000 ] - [ 0.0000811600000000, 0.0004031600000000, 0.0002365400000000 ] - [ -0.0002676500000000, -0.0001753000000000, -0.0004021800000000 ] - [ -0.0027329900000000, 0.0009374000000000, 0.0037012300000000 ] - [ 0.0005514000000000, -0.0011985000000000, -0.0033960500000000 ] - [ 0.0003241900000000, -0.0004156200000000, 0.0001894000000000 ] - [ -0.0001573400000000, 0.0004321800000000, -0.0001977700000000 ] - [ 0.0002079000000000, 0.0006906800000000, -0.0009840700000000 ] - [ -0.0006060100000000, -0.0007927500000000, 0.0003679300000000 ] - [ 0.0023058300000000, 0.0019148300000000, 0.0007408800000000 ] - [ -0.0010224700000000, -0.0004467300000000, -0.0003596700000000 ] - [ -0.0004054100000000, -0.0001120600000000, -0.0005445500000000 ] - [ 0.0004498500000000, 0.0001779800000000, 0.0005556700000000 ] - [ 0.0000645800000000, -0.0003967800000000, -0.0000862900000000 ] - [ 0.0000025100000000, 0.0002230100000000, -0.0000510400000000 ] - [ -0.0001309700000000, 0.0002169600000000, -0.0001846900000000 ] - [ -0.0000498100000000, -0.0003242600000000, 0.0003703900000000 ] - [ 0.0005422600000000, -0.0000120800000000, -0.0003489600000000 ] - [ -0.0004909800000000, 0.0002126000000000, 0.0002986100000000 ] - [ -0.0010016800000000, 0.0005639100000000, -0.0005395900000000 ] - [ 0.0021061200000000, -0.0016831600000000, 0.0014999500000000 ] - [ -0.0001876000000000, -0.0006712600000000, -0.0021314900000000 ] - [ -0.0005164300000000, 0.0004104100000000, 0.0005074400000000 ] - [ -0.0009501400000000, 0.0003431900000000, -0.0023175400000000 ] - [ -0.0011946500000000, 0.0004067500000000, 0.0030348000000000 ] - [ 0.0003381800000000, 0.0002775900000000, 0.0001020900000000 ] - [ -0.0000561300000000, -0.0003998500000000, -0.0002122500000000 ] - [ 0.0006859500000000, 0.0002068800000000, -0.0001787400000000 ] - [ -0.0005381300000000, -0.0002130000000000, 0.0003004900000000 ] - [ -0.0000177000000000, 0.0001327200000000, 0.0002001400000000 ] - [ -0.0002099700000000, -0.0001658300000000, -0.0002220600000000 ]- atom: 25 displacement: [ -0.0100000000000000, -0.0000000000910355, 0.0000000000000000 ] forces: - [ -0.0082342800000000, 0.0126505400000000, 0.0085942400000000 ] - [ -0.0074526800000000, -0.0063375800000000, -0.0063244800000000 ] - [ 0.0086190500000000, 0.0037739000000000, -0.0021199200000000 ] - [ -0.0024371200000000, -0.0013344400000000, 0.0000268900000000 ] - [ -0.0050521300000000, 0.0045008300000000, -0.0053427300000000 ] - [ -0.0063388800000000, -0.0098528600000000, 0.0067524900000000 ] - [ 0.0067189700000000, -0.0038161900000000, -0.0016050400000000 ] - [ -0.0017893900000000, 0.0008780100000000, -0.0000501400000000 ] - [ 0.0000156800000000, -0.0002276800000000, 0.0001300600000000 ] - [ 0.0000328800000000, 0.0001050300000000, -0.0000398000000000 ] - [ -0.0003026400000000, 0.0002424600000000, 0.0000448100000000 ] - [ 0.0003127100000000, -0.0000767800000000, 0.0000438400000000 ] - [ -0.0037484800000000, -0.0059925100000000, 0.0085386700000000 ] - [ -0.0043769000000000, 0.0017672800000000, -0.0058877300000000 ] - [ -0.0007813200000000, 0.0004962100000000, -0.0000411900000000 ] - [ 0.0026770800000000, -0.0015668500000000, -0.0027756700000000 ] - [ 0.0122633800000000, 0.0001669200000000, 0.0000851600000000 ] - [ -0.0032212500000000, -0.0000819300000000, -0.0003798400000000 ] - [ -0.0004327200000000, 0.0014844700000000, 0.0007055100000000 ] - [ -0.0004681400000000, -0.0017073200000000, -0.0001952000000000 ] - [ 0.0005871000000000, 0.0001311800000000, -0.0000265000000000 ] - [ -0.0006211400000000, -0.0000496500000000, 0.0001137800000000 ] - [ -0.0000340600000000, 0.0003020500000000, -0.0000912100000000 ] - [ -0.0000226900000000, -0.0003827600000000, -0.0001016500000000 ] - [ 0.2535503700000000, 0.0013132200000000, -0.0005027300000000 ] - [ -0.0124837700000000, 0.0001138800000000, 0.0006063000000000 ] - [ -0.0024707200000000, 0.0056766600000000, -0.0000992700000000 ] - [ -0.0026706000000000, -0.0057873100000000, -0.0006988500000000 ] - [ -0.0373601200000000, -0.0301674500000000, -0.0109734700000000 ] - [ -0.0382333600000000, 0.0289897400000000, 0.0017843400000000 ] - [ -0.0006173200000000, 0.0000095300000000, 0.0000259500000000 ] - [ 0.0134369700000000, 0.0006812600000000, 0.0091817500000000 ] - [ 0.0003185400000000, 0.0012618600000000, 0.0019860500000000 ] - [ -0.0008716500000000, -0.0007743700000000, -0.0016906100000000 ] - [ 0.0014918400000000, -0.0007868600000000, -0.0002986600000000 ] - [ -0.0009593200000000, -0.0001459900000000, -0.0000014900000000 ] - [ 0.0039417300000000, -0.0000025600000000, -0.0000014300000000 ] - [ -0.0032058000000000, -0.0002311100000000, 0.0004533100000000 ] - [ -0.0004335200000000, 0.0018352300000000, -0.0003721700000000 ] - [ -0.0000322100000000, -0.0016028600000000, -0.0000685700000000 ] - [ -0.0008676200000000, -0.0005751600000000, -0.0016943200000000 ] - [ 0.0003173600000000, 0.0014648100000000, 0.0019773300000000 ] - [ -0.0009614000000000, 0.0001460700000000, -0.0000269700000000 ] - [ 0.0014880900000000, -0.0005868100000000, -0.0003605300000000 ] - [ -0.0002220900000000, 0.0008834100000000, -0.0011812200000000 ] - [ -0.0000405400000000, -0.0009935900000000, 0.0016368300000000 ] - [ 0.0014917600000000, 0.0001062500000000, -0.0002743600000000 ] - [ -0.0009449100000000, -0.0000021500000000, 0.0000587400000000 ] - [ -0.0653358700000000, -0.0048569400000000, 0.0310574500000000 ] - [ 0.0081955500000000, 0.0007481600000000, 0.0016789400000000 ] - [ -0.0004976000000000, -0.0030307100000000, -0.0005657900000000 ] - [ 0.0013683400000000, 0.0037064400000000, -0.0000613500000000 ] - [ -0.0197077600000000, 0.0067016200000000, -0.0107376500000000 ] - [ 0.0042389100000000, 0.0011953100000000, 0.0007952800000000 ] - [ -0.0007101100000000, -0.0066398200000000, -0.0025599400000000 ] - [ 0.0023578200000000, 0.0030660800000000, 0.0010567200000000 ] - [ -0.0362606900000000, 0.0033898300000000, 0.0169972000000000 ] - [ 0.0076963700000000, -0.0012284300000000, 0.0033142900000000 ] - [ 0.0013164400000000, -0.0029253200000000, 0.0001845700000000 ] - [ -0.0003941800000000, 0.0026180200000000, -0.0002522400000000 ] - [ -0.0335725000000000, 0.0243844600000000, -0.0160009300000000 ] - [ 0.0088389400000000, 0.0017538200000000, -0.0003572900000000 ] - [ -0.0028050800000000, -0.0035439300000000, -0.0005945400000000 ] - [ 0.0009703500000000, 0.0019463600000000, -0.0006301200000000 ] - [ -0.0231571000000000, -0.0151975400000000, -0.0134446900000000 ] - [ 0.0045076400000000, -0.0017745100000000, 0.0011369100000000 ] - [ 0.0033967000000000, -0.0037172600000000, 0.0003516700000000 ] - [ -0.0010219800000000, 0.0081938400000000, -0.0011403900000000 ] - [ -0.0257780600000000, -0.0102250200000000, -0.0073169400000000 ] - [ 0.0070593700000000, -0.0007658700000000, -0.0011305000000000 ] - [ 0.0007127300000000, -0.0020364800000000, -0.0004357400000000 ] - [ -0.0011630800000000, 0.0033921700000000, -0.0006557900000000 ] - [ -0.0009391200000000, 0.0002347400000000, 0.0006058300000000 ] - [ 0.0007012900000000, -0.0005285400000000, -0.0009279300000000 ] - [ 0.0002430200000000, -0.0000912000000000, 0.0001932000000000 ] - [ -0.0000239200000000, 0.0002644800000000, -0.0001334100000000 ] - [ 0.0002899200000000, -0.0014333800000000, -0.0004464400000000 ] - [ 0.0006419600000000, 0.0011640600000000, 0.0012194500000000 ] - [ -0.0039955600000000, 0.0019250800000000, -0.0012983000000000 ] - [ 0.0015177800000000, -0.0001058600000000, 0.0005649600000000 ] - [ -0.0029231900000000, -0.0014371200000000, -0.0020522600000000 ] - [ 0.0015643600000000, 0.0000135200000000, 0.0006752800000000 ] - [ -0.0001491700000000, -0.0017111100000000, 0.0025313500000000 ] - [ 0.0005376200000000, 0.0009006100000000, -0.0007202900000000 ] - [ -0.0003956900000000, 0.0002140800000000, -0.0004771700000000 ] - [ 0.0005463300000000, -0.0001121800000000, 0.0003242500000000 ] - [ -0.0001057700000000, -0.0005451100000000, 0.0004800100000000 ] - [ 0.0000264200000000, 0.0003956700000000, -0.0001492100000000 ] - [ -0.0007291600000000, -0.0002111900000000, -0.0002412400000000 ] - [ 0.0005105600000000, 0.0003688700000000, -0.0001591400000000 ] - [ -0.0001085800000000, -0.0003833500000000, -0.0003052700000000 ] - [ 0.0002411000000000, 0.0001952300000000, 0.0003357600000000 ] - [ 0.0027347700000000, -0.0008978100000000, -0.0036335500000000 ] - [ -0.0005372300000000, 0.0012318100000000, 0.0034528600000000 ] - [ -0.0003174800000000, 0.0004485300000000, -0.0001269600000000 ] - [ 0.0001670000000000, -0.0003980000000000, 0.0002615600000000 ] - [ -0.0002345700000000, -0.0007281900000000, 0.0009214600000000 ] - [ 0.0005901600000000, 0.0007517000000000, -0.0004242000000000 ] - [ -0.0023212000000000, -0.0019546300000000, -0.0007981000000000 ] - [ 0.0010015100000000, 0.0004122000000000, 0.0003091500000000 ] - [ 0.0004271900000000, 0.0000849600000000, 0.0005737200000000 ] - [ -0.0004289200000000, -0.0002041900000000, -0.0005301500000000 ] - [ -0.0000434300000000, 0.0003685200000000, 0.0001149900000000 ] - [ 0.0000174800000000, -0.0002482700000000, 0.0000766400000000 ] - [ 0.0000959700000000, -0.0002229500000000, 0.0002140200000000 ] - [ 0.0000165900000000, 0.0003220500000000, -0.0003453400000000 ] - [ -0.0005800700000000, 0.0000103800000000, 0.0003781600000000 ] - [ 0.0004578000000000, -0.0002154100000000, -0.0002720100000000 ] - [ 0.0010444300000000, -0.0005627100000000, 0.0004888700000000 ] - [ -0.0020552800000000, 0.0016868600000000, -0.0015595000000000 ] - [ 0.0002270100000000, 0.0006740100000000, 0.0020659100000000 ] - [ 0.0005619000000000, -0.0004068300000000, -0.0005627100000000 ] - [ 0.0009145800000000, -0.0003075600000000, 0.0022556400000000 ] - [ 0.0011758600000000, -0.0003707600000000, -0.0030939100000000 ] - [ -0.0003633900000000, -0.0002467300000000, -0.0001595300000000 ] - [ 0.0000315000000000, 0.0004390600000000, 0.0001576700000000 ] - [ -0.0006742500000000, -0.0001771900000000, 0.0002061300000000 ] - [ 0.0005537600000000, 0.0002438300000000, -0.0002732800000000 ] - [ 0.0000334200000000, -0.0001023300000000, -0.0001761000000000 ] - [ 0.0002247800000000, 0.0002000300000000, 0.0002497000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0068204700000000, 0.0066762200000000, 0.0019577300000000 ] - [ 0.0091920100000000, 0.0025685900000000, 0.0019577300000000 ] - [ -0.0023715400000000, -0.0092448100000000, 0.0019577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001562500000000 ] - [ 0.0087671400000000, -0.0017969800000000, 0.0026153600000000 ] - [ -0.0059398100000000, -0.0066940800000000, 0.0026153600000000 ] - [ -0.0028273400000000, 0.0084910600000000, 0.0026153600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003164900000000 ] - [ -0.0002218400000000, -0.0001303700000000, 0.0024369800000000 ] - [ 0.0002238200000000, -0.0001269400000000, 0.0024369800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020041600000000 ] - [ -0.0000019800000000, 0.0002573000000000, 0.0024369800000000 ] - [ -0.0038300600000000, -0.0031485300000000, 0.0029703000000000 ] - [ 0.0046417400000000, -0.0017426600000000, 0.0029703000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005043700000000 ] - [ -0.0008116800000000, 0.0048911900000000, 0.0029703000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300874300000000 ] - [ -0.0005140000000000, 0.0000032400000000, -0.0001140800000000 ] - [ 0.0002541900000000, -0.0004467500000000, -0.0001140800000000 ] - [ 0.0002598000000000, 0.0004435200000000, -0.0001140800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029291500000000 ] - [ 0.0001528500000000, -0.0000382100000000, 0.0020503800000000 ] - [ -0.0000433400000000, 0.0001514800000000, 0.0020503800000000 ] - [ -0.0001095200000000, -0.0001132700000000, 0.0020503800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1988916300000000 ] - [ -0.0006691100000000, 0.0003422500000000, -0.0074237800000000 ] - [ 0.0000381600000000, -0.0007506000000000, -0.0074237800000000 ] - [ 0.0006309600000000, 0.0004083400000000, -0.0074237800000000 ] - [ 0.0109741200000000, -0.0042263400000000, -0.0255240000000000 ] - [ -0.0018269400000000, 0.0116170400000000, -0.0255240000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0059108800000000 ] - [ -0.0091471800000000, -0.0073907000000000, -0.0255240000000000 ] - [ -0.0020179700000000, 0.0007695100000000, 0.0034629100000000 ] - [ 0.0016754000000000, 0.0013628600000000, 0.0034629100000000 ] - [ 0.0003425700000000, -0.0021323700000000, 0.0034629100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0086136900000000 ] - [ -0.0004441200000000, -0.0001774700000000, 0.0020331500000000 ] - [ 0.0003757500000000, -0.0002958900000000, 0.0020331500000000 ] - [ 0.0000683700000000, 0.0004733500000000, 0.0020331500000000 ] - [ 0.0016859400000000, 0.0013084300000000, 0.0034357200000000 ] - [ -0.0019761000000000, 0.0008058500000000, 0.0034357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018921400000000 ] - [ 0.0002901600000000, -0.0021142800000000, 0.0034357200000000 ] - [ 0.0012372600000000, -0.0010972000000000, 0.0034886800000000 ] - [ -0.0015688400000000, -0.0005229000000000, 0.0034886800000000 ] - [ 0.0003315700000000, 0.0016201000000000, 0.0034886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019129100000000 ] - [ -0.0269468200000000, 0.0006756000000000, 0.0338910600000000 ] - [ -0.0027548400000000, -0.0002511200000000, 0.0049561800000000 ] - [ -0.0004857800000000, 0.0018174700000000, 0.0026175700000000 ] - [ -0.0013684200000000, -0.0037764700000000, 0.0021033400000000 ] - [ 0.0116209800000000, -0.0164816300000000, 0.0352600900000000 ] - [ 0.0021218900000000, 0.0007750700000000, 0.0026039100000000 ] - [ 0.0014473700000000, -0.0014503400000000, 0.0049744100000000 ] - [ -0.0020238900000000, -0.0026609000000000, 0.0023357700000000 ] - [ -0.0200840000000000, -0.0018232500000000, 0.0352600900000000 ] - [ -0.0019797200000000, -0.0005282900000000, 0.0049744100000000 ] - [ -0.0012924600000000, 0.0030831900000000, 0.0023357700000000 ] - [ -0.0003897100000000, -0.0022251400000000, 0.0026039100000000 ] - [ 0.0128883200000000, -0.0236744300000000, 0.0338910600000000 ] - [ 0.0039547300000000, 0.0007031500000000, 0.0021033400000000 ] - [ 0.0015948900000000, -0.0022602000000000, 0.0049561800000000 ] - [ -0.0013310900000000, -0.0013294300000000, 0.0026175700000000 ] - [ 0.0140584900000000, 0.0229988300000000, 0.0338910600000000 ] - [ 0.0018168700000000, -0.0004880400000000, 0.0026175700000000 ] - [ -0.0025863100000000, 0.0030733300000000, 0.0021033400000000 ] - [ 0.0011599500000000, 0.0025113200000000, 0.0049561800000000 ] - [ 0.0084630200000000, 0.0183048800000000, 0.0352600900000000 ] - [ 0.0033163500000000, -0.0004222900000000, 0.0023357700000000 ] - [ -0.0017321700000000, 0.0014500800000000, 0.0026039100000000 ] - [ 0.0005323400000000, 0.0019786300000000, 0.0049744100000000 ] - [ 0.0003601300000000, -0.0007086200000000, -0.0024997400000000 ] - [ 0.0003860500000000, -0.0003332600000000, -0.0015984800000000 ] - [ 0.0000867100000000, -0.0001909700000000, -0.0014058400000000 ] - [ 0.0006247000000000, 0.0002586800000000, -0.0016417400000000 ] - [ 0.0004344800000000, -0.0005851600000000, -0.0004114100000000 ] - [ -0.0009239600000000, -0.0013128000000000, -0.0016488000000000 ] - [ 0.0000292300000000, 0.0021689500000000, -0.0041381800000000 ] - [ -0.0003349500000000, 0.0000732600000000, -0.0006918200000000 ] - [ 0.0018637500000000, -0.0011097800000000, -0.0041381800000000 ] - [ -0.0007240000000000, -0.0000836900000000, -0.0004114100000000 ] - [ -0.0006749400000000, 0.0014565800000000, -0.0016488000000000 ] - [ 0.0002309100000000, 0.0002534500000000, -0.0006918200000000 ] - [ 0.0004336200000000, 0.0006661900000000, -0.0024997400000000 ] - [ -0.0005363700000000, 0.0004116600000000, -0.0016417400000000 ] - [ 0.0000955900000000, 0.0005009500000000, -0.0015984800000000 ] - [ 0.0001220300000000, 0.0001705800000000, -0.0014058400000000 ] - [ -0.0007937500000000, 0.0000424300000000, -0.0024997400000000 ] - [ -0.0002087400000000, 0.0000203900000000, -0.0014058400000000 ] - [ -0.0000883200000000, -0.0006703400000000, -0.0016417400000000 ] - [ -0.0004816300000000, -0.0001677000000000, -0.0015984800000000 ] - [ 0.0015989000000000, -0.0001437800000000, -0.0016488000000000 ] - [ -0.0018929800000000, -0.0010591600000000, -0.0041381800000000 ] - [ 0.0002895200000000, 0.0006688500000000, -0.0004114100000000 ] - [ 0.0001040300000000, -0.0003267000000000, -0.0006918200000000 ] - [ -0.0002783800000000, 0.0011374800000000, -0.0021881900000000 ] - [ 0.0006464000000000, 0.0003919500000000, -0.0006106900000000 ] - [ 0.0013907900000000, -0.0023789000000000, -0.0036295400000000 ] - [ -0.0004014300000000, -0.0003000600000000, -0.0005989800000000 ] - [ -0.0008630700000000, -0.0002780500000000, -0.0021459300000000 ] - [ -0.0001718000000000, -0.0002610600000000, -0.0020783500000000 ] - [ -0.0002120200000000, -0.0003228900000000, -0.0013852900000000 ] - [ -0.0002074900000000, 0.0000653800000000, -0.0013141400000000 ] - [ -0.0001736200000000, 0.0003450600000000, -0.0013852900000000 ] - [ 0.0001907400000000, 0.0008864600000000, -0.0021459300000000 ] - [ -0.0001401900000000, 0.0002793100000000, -0.0020783500000000 ] - [ 0.0001603700000000, 0.0001470000000000, -0.0013141400000000 ] - [ -0.0006626400000000, 0.0003638200000000, -0.0006106900000000 ] - [ 0.0013648000000000, 0.0023939100000000, -0.0036295400000000 ] - [ -0.0008459000000000, -0.0008098300000000, -0.0021881900000000 ] - [ 0.0004605800000000, -0.0001976200000000, -0.0005989800000000 ] - [ -0.0027555900000000, -0.0000150100000000, -0.0036295400000000 ] - [ 0.0011242800000000, -0.0003276500000000, -0.0021881900000000 ] - [ 0.0000162400000000, -0.0007557800000000, -0.0006106900000000 ] - [ -0.0000591500000000, 0.0004976800000000, -0.0005989800000000 ] - [ 0.0003119800000000, -0.0000182500000000, -0.0020783500000000 ] - [ 0.0003856400000000, -0.0000221700000000, -0.0013852900000000 ] - [ 0.0006723300000000, -0.0006084100000000, -0.0021459300000000 ] - [ 0.0000471200000000, -0.0002123800000000, -0.0013141400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0067825700000000, -0.0066683400000000, -0.0019359700000000 ] - [ -0.0091662300000000, -0.0025397100000000, -0.0019359700000000 ] - [ 0.0023836600000000, 0.0092080400000000, -0.0019359700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941500000000 ] - [ -0.0087903200000000, 0.0018229400000000, -0.0027038900000000 ] - [ 0.0059738800000000, 0.0067011700000000, -0.0027038900000000 ] - [ 0.0028164500000000, -0.0085241100000000, -0.0027038900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002325200000000 ] - [ 0.0002166200000000, 0.0001271400000000, -0.0023476600000000 ] - [ -0.0002184100000000, 0.0001240300000000, -0.0023476600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019151700000000 ] - [ 0.0000017900000000, -0.0002511700000000, -0.0023476600000000 ] - [ 0.0037986700000000, 0.0031463400000000, -0.0030810500000000 ] - [ -0.0046241400000000, 0.0017165700000000, -0.0030810500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004018100000000 ] - [ 0.0008254800000000, -0.0048629100000000, -0.0030810500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304756800000000 ] - [ 0.0005118200000000, -0.0000040100000000, 0.0002199300000000 ] - [ -0.0002524400000000, 0.0004452500000000, 0.0002199300000000 ] - [ -0.0002593800000000, -0.0004412500000000, 0.0002199300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029828700000000 ] - [ -0.0001538100000000, 0.0000382700000000, -0.0021036000000000 ] - [ 0.0000437600000000, -0.0001523300000000, -0.0021036000000000 ] - [ 0.0001100400000000, 0.0001140700000000, -0.0021036000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2012417700000000 ] - [ 0.0006716400000000, -0.0003455100000000, 0.0073068200000000 ] - [ -0.0000366000000000, 0.0007544100000000, 0.0073068200000000 ] - [ -0.0006350400000000, -0.0004089000000000, 0.0073068200000000 ] - [ -0.0109210100000000, 0.0042579500000000, 0.0256299000000000 ] - [ 0.0017730100000000, -0.0115868400000000, 0.0256299000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059624500000000 ] - [ 0.0091479900000000, 0.0073289000000000, 0.0256299000000000 ] - [ 0.0019909400000000, -0.0007663300000000, -0.0034651300000000 ] - [ -0.0016591300000000, -0.0013410400000000, -0.0034651300000000 ] - [ -0.0003318100000000, 0.0021073700000000, -0.0034651300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019211800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0085319300000000 ] - [ 0.0004468200000000, 0.0001732400000000, -0.0020322600000000 ] - [ -0.0003734400000000, 0.0003003300000000, -0.0020322600000000 ] - [ -0.0000733800000000, -0.0004735800000000, -0.0020322600000000 ] - [ -0.0016963600000000, -0.0013262500000000, -0.0034866600000000 ] - [ 0.0019967500000000, -0.0008059700000000, -0.0034866600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019321200000000 ] - [ -0.0003003900000000, 0.0021322200000000, -0.0034866600000000 ] - [ -0.0012456900000000, 0.0011123700000000, -0.0033766200000000 ] - [ 0.0015861900000000, 0.0005226100000000, -0.0033766200000000 ] - [ -0.0003405000000000, -0.0016349800000000, -0.0033766200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017805600000000 ] - [ 0.0259703000000000, -0.0008359100000000, -0.0337029100000000 ] - [ 0.0027479600000000, 0.0002259900000000, -0.0049875600000000 ] - [ 0.0004755100000000, -0.0018587000000000, -0.0026528000000000 ] - [ 0.0013616900000000, 0.0037601100000000, -0.0021420300000000 ] - [ -0.0122067300000000, 0.0177095100000000, -0.0360769900000000 ] - [ -0.0020896700000000, -0.0008096900000000, -0.0025370800000000 ] - [ -0.0014246500000000, 0.0014024200000000, -0.0049257500000000 ] - [ 0.0020506200000000, 0.0026194200000000, -0.0022708000000000 ] - [ 0.0214402600000000, 0.0017165800000000, -0.0360769900000000 ] - [ 0.0019268600000000, 0.0005325700000000, -0.0049257500000000 ] - [ 0.0012431700000000, -0.0030856000000000, -0.0022708000000000 ] - [ 0.0003436200000000, 0.0022145500000000, -0.0025370800000000 ] - [ -0.0122612300000000, 0.0229089000000000, -0.0337029100000000 ] - [ -0.0039372000000000, -0.0007008000000000, -0.0021420300000000 ] - [ -0.0015696900000000, 0.0022668000000000, -0.0049875600000000 ] - [ 0.0013719300000000, 0.0013411500000000, -0.0026528000000000 ] - [ -0.0137090800000000, -0.0220729900000000, -0.0337029100000000 ] - [ -0.0018474400000000, 0.0005175500000000, -0.0026528000000000 ] - [ 0.0025755100000000, -0.0030593100000000, -0.0021420300000000 ] - [ -0.0011782600000000, -0.0024928000000000, -0.0049875600000000 ] - [ -0.0092335200000000, -0.0194261000000000, -0.0360769900000000 ] - [ -0.0032937900000000, 0.0004661800000000, -0.0022708000000000 ] - [ 0.0017460500000000, -0.0014048600000000, -0.0025370800000000 ] - [ -0.0005022100000000, -0.0019349900000000, -0.0049257500000000 ] - [ -0.0003658900000000, 0.0006642800000000, 0.0024191100000000 ] - [ -0.0003907000000000, 0.0002952500000000, 0.0015263200000000 ] - [ -0.0000931100000000, 0.0001535000000000, 0.0013315000000000 ] - [ -0.0006243300000000, -0.0002897000000000, 0.0015623500000000 ] - [ -0.0003971600000000, 0.0005598700000000, 0.0004946900000000 ] - [ 0.0009576000000000, 0.0012873400000000, 0.0017389300000000 ] - [ 0.0000087300000000, -0.0021568500000000, 0.0041847100000000 ] - [ 0.0003647200000000, -0.0000920400000000, 0.0007759500000000 ] - [ -0.0018722500000000, 0.0010708600000000, 0.0041847100000000 ] - [ 0.0006834400000000, 0.0000640100000000, 0.0004946900000000 ] - [ 0.0006360700000000, -0.0014729800000000, 0.0017389300000000 ] - [ -0.0002620700000000, -0.0002698400000000, 0.0007759500000000 ] - [ -0.0003923400000000, -0.0006490100000000, 0.0024191100000000 ] - [ 0.0005630500000000, -0.0003958300000000, 0.0015623500000000 ] - [ -0.0000603500000000, -0.0004859900000000, 0.0015263200000000 ] - [ -0.0000863700000000, -0.0001573900000000, 0.0013315000000000 ] - [ 0.0007582300000000, -0.0000152700000000, 0.0024191100000000 ] - [ 0.0001794900000000, 0.0000038900000000, 0.0013315000000000 ] - [ 0.0000612800000000, 0.0006855300000000, 0.0015623500000000 ] - [ 0.0004510500000000, 0.0001907300000000, 0.0015263200000000 ] - [ -0.0015936800000000, 0.0001856400000000, 0.0017389300000000 ] - [ 0.0018635200000000, 0.0010859900000000, 0.0041847100000000 ] - [ -0.0002862900000000, -0.0006238800000000, 0.0004946900000000 ] - [ -0.0001026500000000, 0.0003618800000000, 0.0007759500000000 ] - [ 0.0002650500000000, -0.0011840200000000, 0.0021075500000000 ] - [ -0.0006658300000000, -0.0004380500000000, 0.0005360100000000 ] - [ -0.0014154800000000, 0.0023595600000000, 0.0035727900000000 ] - [ 0.0003890400000000, 0.0002565100000000, 0.0005220400000000 ] - [ 0.0008942300000000, 0.0002521700000000, 0.0021885000000000 ] - [ 0.0001906100000000, 0.0002343200000000, 0.0021154900000000 ] - [ 0.0002354900000000, 0.0002985600000000, 0.0014189000000000 ] - [ 0.0002312000000000, -0.0000951800000000, 0.0013462000000000 ] - [ 0.0001408200000000, -0.0003532200000000, 0.0014189000000000 ] - [ -0.0002287300000000, -0.0009005100000000, 0.0021885000000000 ] - [ 0.0001076200000000, -0.0002822400000000, 0.0021154900000000 ] - [ -0.0001980300000000, -0.0001526300000000, 0.0013462000000000 ] - [ 0.0007122800000000, -0.0003576100000000, 0.0005360100000000 ] - [ -0.0013357000000000, -0.0024056300000000, 0.0035727900000000 ] - [ 0.0008928700000000, 0.0008215500000000, 0.0021075500000000 ] - [ -0.0004166600000000, 0.0002086600000000, 0.0005220400000000 ] - [ 0.0027511800000000, 0.0000460700000000, 0.0035727900000000 ] - [ -0.0011579200000000, 0.0003624700000000, 0.0021075500000000 ] - [ -0.0000464400000000, 0.0007956500000000, 0.0005360100000000 ] - [ 0.0000276200000000, -0.0004651700000000, 0.0005220400000000 ] - [ -0.0002982400000000, 0.0000479100000000, 0.0021154900000000 ] - [ -0.0003763100000000, 0.0000546600000000, 0.0014189000000000 ] - [ -0.0006655000000000, 0.0006483400000000, 0.0021885000000000 ] - [ -0.0000331700000000, 0.0002478100000000, 0.0013462000000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000910355, 0.0000000000000000 ] forces: - [ 0.0115010800000000, -0.0141378600000000, -0.0054416300000000 ] - [ -0.0035968200000000, -0.0001391000000000, -0.0012887800000000 ] - [ 0.0019097800000000, 0.0039516800000000, -0.0014149000000000 ] - [ -0.0022570800000000, -0.0037857700000000, 0.0012158300000000 ] - [ 0.0034973000000000, 0.0016105300000000, -0.0007619400000000 ] - [ -0.0016459000000000, -0.0002690900000000, 0.0003956500000000 ] - [ -0.0008397800000000, 0.0023631000000000, 0.0009014800000000 ] - [ -0.0004493200000000, -0.0010666700000000, -0.0005167000000000 ] - [ 0.0003506000000000, -0.0001040800000000, 0.0005073400000000 ] - [ -0.0002454000000000, -0.0000223400000000, 0.0002073400000000 ] - [ -0.0002013100000000, 0.0003908300000000, 0.0003378400000000 ] - [ 0.0000564100000000, -0.0001676100000000, 0.0002120000000000 ] - [ 0.0045687100000000, -0.0000854500000000, 0.0005672500000000 ] - [ -0.0023260100000000, 0.0002500000000000, -0.0019034000000000 ] - [ -0.0005351900000000, 0.0010600800000000, 0.0005326800000000 ] - [ 0.0007899500000000, -0.0016380100000000, -0.0017238600000000 ] - [ -0.0004848700000000, -0.0001480900000000, 0.0022816500000000 ] - [ -0.0012729300000000, 0.0001278500000000, -0.0017065300000000 ] - [ 0.0000537700000000, 0.0001609800000000, 0.0002409900000000 ] - [ 0.0000705100000000, -0.0001578900000000, 0.0000351000000000 ] - [ 0.0000933500000000, -0.0000129900000000, 0.0002038400000000 ] - [ -0.0001423500000000, -0.0000475700000000, 0.0003899100000000 ] - [ -0.0000094500000000, 0.0000966900000000, 0.0001787200000000 ] - [ 0.0000533200000000, -0.0000775100000000, 0.0002036200000000 ] - [ 0.0652871300000000, 0.0082219800000000, -0.0277076200000000 ] - [ -0.0082235600000000, 0.0028269500000000, -0.0028001000000000 ] - [ 0.0004890700000000, 0.0011244400000000, -0.0005430300000000 ] - [ -0.0013827600000000, -0.0025745300000000, -0.0014376500000000 ] - [ 0.0256416400000000, 0.0098154600000000, 0.0086001000000000 ] - [ -0.0070618000000000, 0.0003642300000000, 0.0033524800000000 ] - [ -0.0007051800000000, 0.0032445800000000, -0.0017107900000000 ] - [ 0.0011948000000000, -0.0063749900000000, 0.0005505000000000 ] - [ 0.0023145800000000, 0.0015520000000000, 0.0014033000000000 ] - [ -0.0010108300000000, -0.0001381300000000, -0.0004023800000000 ] - [ 0.0002247300000000, 0.0004224200000000, -0.0002766800000000 ] - [ -0.0005964300000000, -0.0008081200000000, 0.0006490200000000 ] - [ 0.0005491300000000, -0.0000677500000000, -0.0018779400000000 ] - [ -0.0027432300000000, -0.0000495200000000, 0.0016011400000000 ] - [ -0.0001625400000000, 0.0006806500000000, 0.0001075200000000 ] - [ 0.0003150900000000, -0.0010784100000000, 0.0002920700000000 ] - [ 0.0009366800000000, -0.0000934600000000, 0.0003333000000000 ] - [ -0.0007016300000000, -0.0000728200000000, 0.0003616600000000 ] - [ -0.0002429300000000, 0.0005219800000000, 0.0000644200000000 ] - [ 0.0000201300000000, -0.0004362700000000, 0.0005981300000000 ] - [ 0.0006793400000000, -0.0000548500000000, 0.0003656800000000 ] - [ -0.0005465200000000, 0.0000320000000000, 0.0004451900000000 ] - [ -0.0000273200000000, 0.0003202200000000, 0.0007293600000000 ] - [ -0.0002196600000000, -0.0003602700000000, 0.0001031400000000 ] - [ -0.1359192700000000, -0.0125405700000000, 0.0363425400000000 ] - [ 0.0040847800000000, 0.0003582200000000, -0.0003187200000000 ] - [ -0.0003615700000000, -0.0013251300000000, 0.0000634300000000 ] - [ 0.0003093900000000, 0.0027608700000000, 0.0004835800000000 ] - [ -0.0008113500000000, 0.0045810900000000, -0.0048107500000000 ] - [ 0.0016560300000000, -0.0006216700000000, 0.0009007300000000 ] - [ 0.0008208700000000, -0.0012391900000000, -0.0004260400000000 ] - [ -0.0003437700000000, 0.0018309900000000, 0.0013237400000000 ] - [ 0.0028060500000000, 0.0000090900000000, -0.0024131100000000 ] - [ 0.0043906700000000, -0.0015623000000000, 0.0082032000000000 ] - [ -0.0001465300000000, 0.0006753600000000, 0.0001066100000000 ] - [ -0.0002674800000000, -0.0004806700000000, 0.0006645600000000 ] - [ 0.0116892600000000, -0.0060420600000000, -0.0007634900000000 ] - [ 0.0174570900000000, 0.0079101300000000, 0.0007738700000000 ] - [ -0.0020468500000000, -0.0004424200000000, 0.0006582900000000 ] - [ 0.0016556800000000, 0.0001031400000000, -0.0000196100000000 ] - [ 0.0065348400000000, 0.0090001900000000, 0.0002389700000000 ] - [ 0.0055290900000000, -0.0039399100000000, 0.0017439500000000 ] - [ 0.0029095600000000, -0.0008293000000000, 0.0004731900000000 ] - [ -0.0034329500000000, 0.0041999800000000, 0.0011643900000000 ] - [ -0.0032162900000000, -0.0074042900000000, -0.0111170800000000 ] - [ 0.0024149300000000, 0.0006612500000000, 0.0005809000000000 ] - [ -0.0007949600000000, -0.0008547800000000, 0.0004001700000000 ] - [ 0.0013713900000000, 0.0013955000000000, -0.0004739500000000 ] - [ -0.0001863800000000, 0.0000810400000000, 0.0001858200000000 ] - [ 0.0005207300000000, -0.0007292500000000, -0.0013697600000000 ] - [ 0.0002732800000000, 0.0001232000000000, -0.0001379500000000 ] - [ -0.0003021000000000, -0.0001076000000000, -0.0001138500000000 ] - [ -0.0003579900000000, -0.0008653600000000, -0.0002084500000000 ] - [ 0.0004827900000000, 0.0006401900000000, 0.0007310200000000 ] - [ -0.0019304900000000, -0.0009349500000000, 0.0011442300000000 ] - [ 0.0010561300000000, 0.0001556000000000, -0.0007151900000000 ] - [ -0.0023420700000000, 0.0007002300000000, 0.0011123100000000 ] - [ 0.0011650700000000, -0.0002431400000000, -0.0001597700000000 ] - [ 0.0001412700000000, -0.0006809300000000, 0.0007339700000000 ] - [ -0.0001648300000000, 0.0009766900000000, -0.0008445600000000 ] - [ -0.0006620700000000, 0.0000257000000000, -0.0002088700000000 ] - [ 0.0005153700000000, -0.0000293700000000, -0.0001747600000000 ] - [ 0.0000019400000000, -0.0002543900000000, 0.0000140900000000 ] - [ 0.0000359300000000, 0.0003932900000000, -0.0003704000000000 ] - [ -0.0000032600000000, 0.0000018800000000, 0.0000628100000000 ] - [ 0.0001011900000000, 0.0003607300000000, -0.0007086500000000 ] - [ -0.0002599800000000, 0.0000713000000000, -0.0001647600000000 ] - [ 0.0002026100000000, -0.0000841900000000, 0.0000446200000000 ] - [ 0.0024588800000000, -0.0015224900000000, -0.0051347700000000 ] - [ 0.0003867500000000, 0.0003272000000000, 0.0012771200000000 ] - [ -0.0002387900000000, -0.0001334800000000, -0.0001382800000000 ] - [ 0.0001350700000000, 0.0003117600000000, 0.0001822200000000 ] - [ -0.0003107700000000, 0.0001447100000000, -0.0005436000000000 ] - [ 0.0002687700000000, -0.0001525000000000, -0.0000991700000000 ] - [ 0.0005132200000000, -0.0002396100000000, -0.0008734900000000 ] - [ -0.0001905700000000, 0.0005468400000000, 0.0006103000000000 ] - [ -0.0002911900000000, -0.0000242100000000, -0.0003105300000000 ] - [ 0.0001604700000000, -0.0000130200000000, -0.0001519100000000 ] - [ -0.0000032200000000, -0.0001478100000000, -0.0001920000000000 ] - [ -0.0000063500000000, 0.0000346500000000, -0.0001675300000000 ] - [ -0.0001564300000000, -0.0001689500000000, -0.0000669500000000 ] - [ 0.0000505700000000, 0.0001777600000000, -0.0002663300000000 ] - [ -0.0001349100000000, 0.0001166400000000, -0.0003037100000000 ] - [ 0.0001529100000000, 0.0000584900000000, -0.0001265500000000 ] - [ -0.0001912500000000, -0.0005353200000000, 0.0005870900000000 ] - [ 0.0004065100000000, 0.0003045500000000, -0.0007564400000000 ] - [ -0.0004992500000000, -0.0002993800000000, -0.0008287400000000 ] - [ 0.0003287500000000, 0.0001505100000000, -0.0001094400000000 ] - [ -0.0010135900000000, 0.0001818200000000, -0.0005513600000000 ] - [ 0.0004889600000000, -0.0000230900000000, -0.0000225400000000 ] - [ -0.0000064100000000, -0.0003631100000000, -0.0001901400000000 ] - [ -0.0000354000000000, 0.0003549600000000, -0.0001376600000000 ] - [ -0.0000256700000000, -0.0000087100000000, -0.0002454100000000 ] - [ 0.0002024000000000, -0.0000525200000000, -0.0001646100000000 ] - [ 0.0001682700000000, -0.0001279900000000, -0.0003030400000000 ] - [ -0.0001597900000000, 0.0001286000000000, -0.0000581300000000 ]- atom: 49 displacement: [ -0.0100000000000000, -0.0000000000910355, 0.0000000000000000 ] forces: - [ -0.0114732500000000, 0.0145192400000000, 0.0056802900000000 ] - [ 0.0035772500000000, 0.0001357100000000, 0.0013287000000000 ] - [ -0.0018741800000000, -0.0039253000000000, 0.0014557900000000 ] - [ 0.0022545500000000, 0.0038002000000000, -0.0011790200000000 ] - [ -0.0034949600000000, -0.0016043000000000, 0.0006616400000000 ] - [ 0.0016413300000000, 0.0002670900000000, -0.0004818600000000 ] - [ 0.0008481500000000, -0.0023784900000000, -0.0010004500000000 ] - [ 0.0004453700000000, 0.0010668800000000, 0.0004258400000000 ] - [ -0.0003500300000000, 0.0001040800000000, -0.0004204200000000 ] - [ 0.0002476500000000, 0.0000229900000000, -0.0001221700000000 ] - [ 0.0002015300000000, -0.0003878400000000, -0.0002519100000000 ] - [ -0.0000537500000000, 0.0001700800000000, -0.0001253500000000 ] - [ -0.0046029100000000, 0.0000236500000000, -0.0005707400000000 ] - [ 0.0023133700000000, -0.0002488200000000, 0.0017954900000000 ] - [ 0.0005308700000000, -0.0010625000000000, -0.0006202700000000 ] - [ -0.0007767000000000, 0.0016292800000000, 0.0016249300000000 ] - [ 0.0004905500000000, 0.0001603900000000, -0.0021921700000000 ] - [ 0.0012733800000000, -0.0001277200000000, 0.0018015500000000 ] - [ -0.0000529100000000, -0.0001592100000000, -0.0001465200000000 ] - [ -0.0000733900000000, 0.0001570400000000, 0.0000581800000000 ] - [ -0.0000934100000000, 0.0000128600000000, -0.0002535700000000 ] - [ 0.0001398000000000, 0.0000469400000000, -0.0004405700000000 ] - [ 0.0000081400000000, -0.0000959600000000, -0.0002291600000000 ] - [ -0.0000540500000000, 0.0000753500000000, -0.0002534000000000 ] - [ -0.0615237300000000, -0.0075831700000000, 0.0252503300000000 ] - [ 0.0082301100000000, -0.0028416700000000, 0.0027023100000000 ] - [ -0.0004959400000000, -0.0011019900000000, 0.0004168100000000 ] - [ 0.0013580400000000, 0.0025419300000000, 0.0012920400000000 ] - [ -0.0257847000000000, -0.0103852400000000, -0.0090864400000000 ] - [ 0.0070343000000000, -0.0003644600000000, -0.0032557300000000 ] - [ 0.0007073600000000, -0.0032514900000000, 0.0017688900000000 ] - [ -0.0011719600000000, 0.0063467100000000, -0.0004807500000000 ] - [ -0.0023135700000000, -0.0015455100000000, -0.0014031700000000 ] - [ 0.0010125200000000, 0.0001372500000000, 0.0003876800000000 ] - [ -0.0002182700000000, -0.0004272800000000, 0.0002673700000000 ] - [ 0.0005980100000000, 0.0008108400000000, -0.0006620600000000 ] - [ -0.0005380100000000, 0.0000659200000000, 0.0018774600000000 ] - [ 0.0027269800000000, 0.0000432600000000, -0.0015896700000000 ] - [ 0.0001610400000000, -0.0006761700000000, -0.0000974500000000 ] - [ -0.0003230500000000, 0.0010731600000000, -0.0002809200000000 ] - [ -0.0009359300000000, 0.0000947800000000, -0.0003919500000000 ] - [ 0.0007075500000000, 0.0000746000000000, -0.0004151700000000 ] - [ 0.0002432300000000, -0.0005215300000000, -0.0001180200000000 ] - [ -0.0000189700000000, 0.0004355500000000, -0.0006507900000000 ] - [ -0.0006785000000000, 0.0000547700000000, -0.0002433100000000 ] - [ 0.0005478400000000, -0.0000336300000000, -0.0003156300000000 ] - [ 0.0000273300000000, -0.0003225000000000, -0.0006068300000000 ] - [ 0.0002185800000000, 0.0003593500000000, 0.0000202200000000 ] - [ 0.1325030600000000, 0.0121474600000000, -0.0336442500000000 ] - [ -0.0040923300000000, -0.0003801600000000, 0.0002962700000000 ] - [ 0.0003458500000000, 0.0012904700000000, -0.0000859800000000 ] - [ -0.0003150100000000, -0.0027762400000000, -0.0005037000000000 ] - [ 0.0007927500000000, -0.0045742600000000, 0.0048021900000000 ] - [ -0.0016294600000000, 0.0005886800000000, -0.0008499300000000 ] - [ -0.0008017900000000, 0.0011937300000000, 0.0004654800000000 ] - [ 0.0003799000000000, -0.0018579800000000, -0.0012573400000000 ] - [ -0.0028824700000000, -0.0000050200000000, 0.0024692300000000 ] - [ -0.0044417900000000, 0.0015673200000000, -0.0082120000000000 ] - [ 0.0000987200000000, -0.0006772700000000, -0.0000496800000000 ] - [ 0.0002202100000000, 0.0004865400000000, -0.0006076800000000 ] - [ -0.0114560300000000, 0.0059082800000000, 0.0007602800000000 ] - [ -0.0176816600000000, -0.0080651600000000, -0.0007957100000000 ] - [ 0.0020592600000000, 0.0004079800000000, -0.0006626500000000 ] - [ -0.0016207700000000, -0.0000849900000000, -0.0000034500000000 ] - [ -0.0064510000000000, -0.0088154200000000, -0.0002406400000000 ] - [ -0.0055688900000000, 0.0039874100000000, -0.0017721300000000 ] - [ -0.0029200400000000, 0.0008330800000000, -0.0004967800000000 ] - [ 0.0034303900000000, -0.0040739700000000, -0.0011767500000000 ] - [ 0.0031041600000000, 0.0074001600000000, 0.0111368400000000 ] - [ -0.0023938600000000, -0.0006239100000000, -0.0005390800000000 ] - [ 0.0008168800000000, 0.0008932200000000, -0.0003475100000000 ] - [ -0.0013403800000000, -0.0013489000000000, 0.0005162400000000 ] - [ 0.0001720300000000, -0.0001135100000000, -0.0002440800000000 ] - [ -0.0005294500000000, 0.0006950100000000, 0.0013106500000000 ] - [ -0.0002863800000000, -0.0001566300000000, 0.0000823000000000 ] - [ 0.0002953800000000, 0.0000778800000000, 0.0000541100000000 ] - [ 0.0003866800000000, 0.0008393200000000, 0.0002637700000000 ] - [ -0.0004571500000000, -0.0006587800000000, -0.0006662000000000 ] - [ 0.0019238100000000, 0.0009183300000000, -0.0010893900000000 ] - [ -0.0010292200000000, -0.0001742500000000, 0.0007822000000000 ] - [ 0.0022784000000000, -0.0007101600000000, -0.0010683800000000 ] - [ -0.0011949600000000, 0.0002354400000000, 0.0002210500000000 ] - [ -0.0001791200000000, 0.0006680200000000, -0.0006661200000000 ] - [ 0.0001413600000000, -0.0009813400000000, 0.0009056900000000 ] - [ 0.0006979000000000, -0.0000175900000000, 0.0001441900000000 ] - [ -0.0004811900000000, 0.0000376500000000, 0.0001176700000000 ] - [ 0.0000315400000000, 0.0002609100000000, -0.0000712500000000 ] - [ -0.0000021300000000, -0.0003856800000000, 0.0003122100000000 ] - [ -0.0000266200000000, 0.0000192400000000, -0.0001270500000000 ] - [ -0.0001231100000000, -0.0003345100000000, 0.0006477900000000 ] - [ 0.0002349000000000, -0.0000488500000000, 0.0001022100000000 ] - [ -0.0002267900000000, 0.0001060800000000, -0.0001017300000000 ] - [ -0.0024392800000000, 0.0015612400000000, 0.0052028100000000 ] - [ -0.0003816300000000, -0.0002920100000000, -0.0012054900000000 ] - [ 0.0002490900000000, 0.0001701700000000, 0.0001931700000000 ] - [ -0.0001280600000000, -0.0002840000000000, -0.0001235300000000 ] - [ 0.0002874400000000, -0.0001823700000000, 0.0004921400000000 ] - [ -0.0002894600000000, 0.0001127800000000, 0.0000440100000000 ] - [ -0.0005370200000000, 0.0002029100000000, 0.0008264000000000 ] - [ 0.0001682100000000, -0.0005845000000000, -0.0006591100000000 ] - [ 0.0003099400000000, -0.0000017700000000, 0.0003299200000000 ] - [ -0.0001412600000000, -0.0000135000000000, 0.0001746600000000 ] - [ 0.0000203000000000, 0.0001188000000000, 0.0002105500000000 ] - [ 0.0000240500000000, -0.0000633900000000, 0.0001849200000000 ] - [ 0.0001221500000000, 0.0001671900000000, 0.0000878800000000 ] - [ -0.0000829200000000, -0.0001800800000000, 0.0002861000000000 ] - [ 0.0001003500000000, -0.0001161500000000, 0.0003239400000000 ] - [ -0.0001881800000000, -0.0000582400000000, 0.0001478700000000 ] - [ 0.0002346500000000, 0.0005370200000000, -0.0006395800000000 ] - [ -0.0003607100000000, -0.0003037100000000, 0.0007003800000000 ] - [ 0.0005443400000000, 0.0002995300000000, 0.0007820500000000 ] - [ -0.0002870300000000, -0.0001468200000000, 0.0000554300000000 ] - [ 0.0009924300000000, -0.0001462900000000, 0.0004999200000000 ] - [ -0.0005152500000000, 0.0000587400000000, -0.0000360900000000 ] - [ -0.0000182400000000, 0.0003987000000000, 0.0001402800000000 ] - [ 0.0000130500000000, -0.0003168100000000, 0.0000889200000000 ] - [ 0.0000409200000000, 0.0000366200000000, 0.0002648800000000 ] - [ -0.0001893300000000, 0.0000814600000000, 0.0001873700000000 ] - [ -0.0001503200000000, 0.0001600600000000, 0.0003227800000000 ] - [ 0.0001775400000000, -0.0000983300000000, 0.0000765300000000 ]- atom: 49 displacement: [ -0.0050000000825872, 0.0086602539901627, 0.0000000000000000 ] forces: - [ -0.0166621300000000, 0.0328323100000000, 0.0116067200000000 ] - [ -0.0000148100000000, 0.0002766500000000, 0.0001743100000000 ] - [ 0.0026799000000000, -0.0039540000000000, 0.0024538700000000 ] - [ -0.0003277000000000, 0.0000610200000000, 0.0001169700000000 ] - [ 0.0000545400000000, -0.0003378900000000, 0.0021211000000000 ] - [ 0.0004933000000000, 0.0003941100000000, -0.0001005200000000 ] - [ 0.0016514600000000, -0.0029583800000000, -0.0015363700000000 ] - [ -0.0007068900000000, -0.0001297200000000, -0.0001063900000000 ] - [ -0.0001912300000000, 0.0004348500000000, -0.0002808000000000 ] - [ 0.0002946500000000, 0.0000676000000000, -0.0001206900000000 ] - [ 0.0002085200000000, -0.0003659900000000, -0.0002491500000000 ] - [ -0.0002112300000000, -0.0001849900000000, -0.0003625700000000 ] - [ -0.0016738500000000, 0.0051019300000000, -0.0010268300000000 ] - [ 0.0014065100000000, 0.0000900600000000, 0.0013190100000000 ] - [ 0.0011999200000000, -0.0014974300000000, -0.0006289800000000 ] - [ -0.0017617100000000, -0.0012193500000000, -0.0003538100000000 ] - [ 0.0006306900000000, 0.0023861700000000, -0.0014368300000000 ] - [ 0.0004821500000000, 0.0001781400000000, 0.0007190000000000 ] - [ 0.0003124800000000, -0.0005341800000000, 0.0002422000000000 ] - [ -0.0003283500000000, -0.0006106100000000, -0.0003215300000000 ] - [ -0.0001510400000000, 0.0002956400000000, -0.0003763200000000 ] - [ 0.0000916800000000, 0.0001016300000000, -0.0004055600000000 ] - [ 0.0001229100000000, -0.0002567400000000, -0.0003162400000000 ] - [ -0.0001006100000000, -0.0001247800000000, -0.0001765700000000 ] - [ -0.0276659000000000, 0.0107997600000000, 0.0137363800000000 ] - [ 0.0034544500000000, 0.0031836700000000, 0.0011125200000000 ] - [ 0.0023627500000000, -0.0038618700000000, 0.0017744300000000 ] - [ -0.0025271800000000, -0.0053829700000000, -0.0026336700000000 ] - [ -0.0042928800000000, 0.0203445500000000, 0.0118441700000000 ] - [ 0.0042075900000000, -0.0002798300000000, -0.0020028900000000 ] - [ 0.0021341900000000, -0.0036478900000000, 0.0021409500000000 ] - [ -0.0035219300000000, -0.0011784700000000, 0.0014724000000000 ] - [ 0.0005202600000000, -0.0007816800000000, -0.0027616700000000 ] - [ 0.0001340700000000, 0.0000244700000000, -0.0000490000000000 ] - [ 0.0005032200000000, -0.0010803600000000, 0.0011333300000000 ] - [ -0.0003690100000000, 0.0001893400000000, 0.0000255700000000 ] - [ -0.0013255500000000, 0.0038675600000000, 0.0000167300000000 ] - [ 0.0021627600000000, 0.0005285800000000, -0.0009342900000000 ] - [ 0.0004419000000000, -0.0014806900000000, -0.0003433300000000 ] - [ -0.0005345800000000, -0.0006270000000000, 0.0004217500000000 ] - [ -0.0006861500000000, 0.0004283700000000, -0.0008074600000000 ] - [ 0.0007957900000000, 0.0001632000000000, -0.0004951800000000 ] - [ 0.0001859200000000, -0.0004996500000000, -0.0002227100000000 ] - [ -0.0002534100000000, -0.0000385100000000, -0.0001034100000000 ] - [ -0.0001719300000000, 0.0004095000000000, -0.0001217800000000 ] - [ 0.0000771500000000, 0.0001076700000000, -0.0001600600000000 ] - [ 0.0001169500000000, -0.0004120400000000, -0.0008164900000000 ] - [ -0.0000483400000000, -0.0000347200000000, -0.0001592400000000 ] - [ 0.0569337000000000, -0.0860728000000000, -0.0515342900000000 ] - [ -0.0017292700000000, -0.0010694900000000, -0.0000903900000000 ] - [ -0.0009615000000000, 0.0018134100000000, 0.0001215200000000 ] - [ 0.0022302600000000, 0.0012012200000000, -0.0002365000000000 ] - [ 0.0028573900000000, -0.0006872700000000, -0.0034152700000000 ] - [ -0.0011073700000000, 0.0000005900000000, -0.0011335500000000 ] - [ -0.0010821600000000, 0.0012179200000000, 0.0001567300000000 ] - [ 0.0017673700000000, 0.0006279600000000, 0.0013483300000000 ] - [ -0.0014216000000000, -0.0012199000000000, 0.0009717500000000 ] - [ -0.0020534000000000, -0.0021158200000000, -0.0036962300000000 ] - [ 0.0002594700000000, 0.0010997300000000, -0.0012748400000000 ] - [ -0.0005433500000000, 0.0015952700000000, 0.0003541000000000 ] - [ -0.0091558800000000, 0.0021708400000000, 0.0006252100000000 ] - [ -0.0003989500000000, -0.0042198500000000, 0.0000326400000000 ] - [ 0.0021901900000000, 0.0076972800000000, -0.0023543300000000 ] - [ -0.0014019800000000, 0.0025432900000000, -0.0003982100000000 ] - [ 0.0027125200000000, -0.0008645900000000, -0.0002674500000000 ] - [ -0.0077603600000000, 0.0028629200000000, -0.0024499700000000 ] - [ -0.0015033600000000, 0.0019176500000000, -0.0002190800000000 ] - [ 0.0038322800000000, 0.0158049700000000, 0.0011669700000000 ] - [ -0.0048258700000000, 0.0034240600000000, 0.0175689900000000 ] - [ -0.0006308000000000, -0.0003102200000000, 0.0001068500000000 ] - [ -0.0003426100000000, 0.0009213400000000, -0.0005951000000000 ] - [ 0.0005197700000000, 0.0004817000000000, -0.0001166400000000 ] - [ 0.0005750400000000, -0.0001083000000000, 0.0003509400000000 ] - [ -0.0004589700000000, 0.0004259500000000, 0.0009252500000000 ] - [ -0.0002615300000000, 0.0000929000000000, 0.0001216600000000 ] - [ 0.0002872100000000, 0.0001021700000000, -0.0003261000000000 ] - [ -0.0003099100000000, 0.0010606300000000, 0.0005773300000000 ] - [ 0.0003076000000000, 0.0002581500000000, 0.0000826100000000 ] - [ -0.0012838200000000, 0.0001102200000000, -0.0036297600000000 ] - [ -0.0003721400000000, -0.0003710400000000, -0.0000867200000000 ] - [ 0.0032206600000000, -0.0003721100000000, 0.0052191200000000 ] - [ -0.0007839600000000, 0.0000955000000000, 0.0002183500000000 ] - [ -0.0006751500000000, 0.0008199500000000, -0.0005276400000000 ] - [ 0.0006806700000000, -0.0000292100000000, -0.0003942600000000 ] - [ 0.0003143500000000, -0.0009834800000000, 0.0008832400000000 ] - [ -0.0001771900000000, -0.0001375300000000, 0.0001451500000000 ] - [ -0.0002463500000000, 0.0004311400000000, -0.0000673300000000 ] - [ 0.0001957000000000, 0.0001133900000000, -0.0000499300000000 ] - [ -0.0004190400000000, -0.0003544900000000, -0.0007121000000000 ] - [ -0.0001499500000000, -0.0005678500000000, 0.0003544400000000 ] - [ 0.0000511100000000, 0.0005001900000000, 0.0005990300000000 ] - [ 0.0000182300000000, 0.0003194800000000, 0.0000515800000000 ] - [ -0.0025648900000000, -0.0018916700000000, 0.0039939700000000 ] - [ 0.0000796200000000, -0.0008217200000000, -0.0003988000000000 ] - [ -0.0000033400000000, 0.0007904500000000, -0.0005774700000000 ] - [ 0.0001966400000000, 0.0007152800000000, 0.0002892600000000 ] - [ 0.0000583600000000, -0.0000308600000000, -0.0002720600000000 ] - [ -0.0000298900000000, 0.0002247800000000, 0.0000610500000000 ] - [ -0.0008895600000000, 0.0001763900000000, 0.0011145700000000 ] - [ 0.0001628500000000, -0.0003433400000000, -0.0000460000000000 ] - [ 0.0001809000000000, -0.0000636800000000, 0.0003703500000000 ] - [ -0.0000620800000000, -0.0002199600000000, 0.0001912900000000 ] - [ -0.0000041700000000, 0.0002099200000000, 0.0002233900000000 ] - [ 0.0000881600000000, 0.0000962400000000, 0.0001695500000000 ] - [ -0.0000961100000000, 0.0001276200000000, 0.0001435200000000 ] - [ 0.0000078200000000, -0.0000008000000000, 0.0001494500000000 ] - [ 0.0001115700000000, -0.0002725300000000, 0.0004316300000000 ] - [ -0.0000817700000000, -0.0000543100000000, 0.0001662400000000 ] - [ 0.0000467000000000, 0.0001437700000000, -0.0003339200000000 ] - [ 0.0002058500000000, -0.0001799200000000, 0.0000071000000000 ] - [ 0.0004163400000000, 0.0002416800000000, 0.0011441800000000 ] - [ -0.0002244300000000, 0.0001084200000000, -0.0000005100000000 ] - [ 0.0006933600000000, -0.0007594700000000, 0.0004765000000000 ] - [ -0.0002517700000000, -0.0001101100000000, 0.0000262400000000 ] - [ -0.0001963800000000, 0.0005248400000000, 0.0001725400000000 ] - [ 0.0002080700000000, 0.0001459700000000, 0.0001057800000000 ] - [ 0.0000047700000000, -0.0000587900000000, 0.0002012500000000 ] - [ -0.0001491500000000, 0.0000549700000000, 0.0001976700000000 ] - [ -0.0001951500000000, 0.0002288100000000, 0.0003904600000000 ] - [ 0.0001912800000000, 0.0000050600000000, 0.0001755800000000 ]- atom: 49 displacement: [ 0.0050000000825872, -0.0086602539901627, 0.0000000000000000 ] forces: - [ 0.0156858000000000, -0.0308738100000000, -0.0104614900000000 ] - [ 0.0000271900000000, -0.0002741800000000, -0.0001199100000000 ] - [ -0.0026879600000000, 0.0039716400000000, -0.0024159200000000 ] - [ 0.0003215200000000, -0.0000760900000000, -0.0000623200000000 ] - [ -0.0000575100000000, 0.0003450500000000, -0.0022102900000000 ] - [ -0.0004925100000000, -0.0003947100000000, 0.0000091700000000 ] - [ -0.0016454100000000, 0.0029437300000000, 0.0014372700000000 ] - [ 0.0007062800000000, 0.0001247800000000, 0.0000117700000000 ] - [ 0.0001926100000000, -0.0004330900000000, 0.0003643400000000 ] - [ -0.0002934900000000, -0.0000672800000000, 0.0002058900000000 ] - [ -0.0002073400000000, 0.0003680100000000, 0.0003341600000000 ] - [ 0.0002126600000000, 0.0001857700000000, 0.0004477700000000 ] - [ 0.0016350700000000, -0.0050725700000000, 0.0009689300000000 ] - [ -0.0014103600000000, -0.0000919900000000, -0.0014080900000000 ] - [ -0.0012036200000000, 0.0014938700000000, 0.0005373600000000 ] - [ 0.0017530000000000, 0.0012192400000000, 0.0002681000000000 ] - [ -0.0006288100000000, -0.0023857100000000, 0.0015246200000000 ] - [ -0.0004858200000000, -0.0001766600000000, -0.0006310500000000 ] - [ -0.0003125100000000, 0.0005350000000000, -0.0001477700000000 ] - [ 0.0003274500000000, 0.0006120400000000, 0.0004148700000000 ] - [ 0.0001505500000000, -0.0002957500000000, 0.0003232600000000 ] - [ -0.0000937000000000, -0.0001019000000000, 0.0003525700000000 ] - [ -0.0001244000000000, 0.0002571600000000, 0.0002640500000000 ] - [ 0.0001004200000000, 0.0001228100000000, 0.0001255000000000 ] - [ 0.0278669300000000, -0.0104607000000000, -0.0140291600000000 ] - [ -0.0034635400000000, -0.0031444200000000, -0.0012248300000000 ] - [ -0.0023536300000000, 0.0038509100000000, -0.0018898200000000 ] - [ 0.0025311500000000, 0.0053902400000000, 0.0025270300000000 ] - [ 0.0040333000000000, -0.0204145100000000, -0.0119761200000000 ] - [ -0.0042116400000000, 0.0002760200000000, 0.0020710300000000 ] - [ -0.0021316100000000, 0.0036382400000000, -0.0020718900000000 ] - [ 0.0035018100000000, 0.0012007100000000, -0.0013993700000000 ] - [ -0.0005139700000000, 0.0007789300000000, 0.0027454200000000 ] - [ -0.0001303300000000, -0.0000222700000000, 0.0000387800000000 ] - [ -0.0005008200000000, 0.0010800900000000, -0.0011478600000000 ] - [ 0.0003726300000000, -0.0001882200000000, -0.0000360900000000 ] - [ 0.0013201300000000, -0.0038639700000000, -0.0000040200000000 ] - [ -0.0021637900000000, -0.0005298200000000, 0.0009463700000000 ] - [ -0.0004423500000000, 0.0014819300000000, 0.0003534300000000 ] - [ 0.0005319300000000, 0.0006247800000000, -0.0004114100000000 ] - [ 0.0006880500000000, -0.0004275500000000, 0.0007452800000000 ] - [ -0.0007920600000000, -0.0001627200000000, 0.0004392800000000 ] - [ -0.0001858200000000, 0.0005010500000000, 0.0001685600000000 ] - [ 0.0002548500000000, 0.0000387200000000, 0.0000471300000000 ] - [ 0.0001725100000000, -0.0004113700000000, 0.0002407700000000 ] - [ -0.0000754000000000, -0.0001089700000000, 0.0002866600000000 ] - [ -0.0001165500000000, 0.0004108600000000, 0.0009384700000000 ] - [ 0.0000475600000000, 0.0000336200000000, 0.0002804400000000 ] - [ -0.0558869500000000, 0.0839131200000000, 0.0508535400000000 ] - [ 0.0017202100000000, 0.0010388300000000, 0.0000684200000000 ] - [ 0.0009484800000000, -0.0018408500000000, -0.0001451900000000 ] - [ -0.0022508700000000, -0.0012349000000000, 0.0002171900000000 ] - [ -0.0028280800000000, 0.0006236700000000, 0.0034594900000000 ] - [ 0.0011318900000000, -0.0000433200000000, 0.0011765800000000 ] - [ 0.0011030600000000, -0.0012538700000000, -0.0001078700000000 ] - [ -0.0017392500000000, -0.0006445800000000, -0.0012943200000000 ] - [ 0.0013623200000000, 0.0012221200000000, -0.0009136900000000 ] - [ 0.0020294400000000, 0.0020907600000000, 0.0037469000000000 ] - [ -0.0003036700000000, -0.0010977200000000, 0.0013176600000000 ] - [ 0.0005017000000000, -0.0015943000000000, -0.0003086900000000 ] - [ 0.0092772100000000, -0.0021817500000000, -0.0006482400000000 ] - [ 0.0004888400000000, 0.0042173000000000, -0.0000621200000000 ] - [ -0.0021260400000000, -0.0076092600000000, 0.0023115800000000 ] - [ 0.0014331300000000, -0.0025489000000000, 0.0003776900000000 ] - [ -0.0027340800000000, 0.0008647000000000, 0.0002451000000000 ] - [ 0.0076529500000000, -0.0028148900000000, 0.0024057100000000 ] - [ 0.0014894100000000, -0.0018887500000000, 0.0001977400000000 ] - [ -0.0039191600000000, -0.0159828200000000, -0.0011906100000000 ] - [ 0.0048338100000000, -0.0033360900000000, -0.0176491300000000 ] - [ 0.0006583700000000, 0.0003495800000000, -0.0000549800000000 ] - [ 0.0003649600000000, -0.0008829200000000, 0.0006418700000000 ] - [ -0.0004982100000000, -0.0004457500000000, 0.0001659300000000 ] - [ -0.0005831200000000, 0.0000757300000000, -0.0004075200000000 ] - [ 0.0004485800000000, -0.0004554300000000, -0.0009789700000000 ] - [ 0.0002486500000000, -0.0001248800000000, -0.0001768600000000 ] - [ -0.0002943700000000, -0.0001315800000000, 0.0002674400000000 ] - [ 0.0003398300000000, -0.0010947200000000, -0.0005387600000000 ] - [ -0.0002853600000000, -0.0002825200000000, -0.0000253200000000 ] - [ 0.0013057400000000, -0.0001281000000000, 0.0037056900000000 ] - [ 0.0003965300000000, 0.0003486600000000, 0.0001412200000000 ] - [ -0.0032223200000000, 0.0003579500000000, -0.0051248400000000 ] - [ 0.0007487200000000, -0.0001041900000000, -0.0001574200000000 ] - [ 0.0006412000000000, -0.0008281100000000, 0.0005895100000000 ] - [ -0.0007133200000000, 0.0000250800000000, 0.0004535800000000 ] - [ -0.0002801800000000, 0.0009888800000000, -0.0009417500000000 ] - [ 0.0002107000000000, 0.0001444300000000, -0.0002030900000000 ] - [ 0.0002794800000000, -0.0004234900000000, 0.0000104400000000 ] - [ -0.0001622300000000, -0.0001063200000000, -0.0000079100000000 ] - [ 0.0003930400000000, 0.0003766700000000, 0.0006507400000000 ] - [ 0.0001248800000000, 0.0005898700000000, -0.0004144900000000 ] - [ -0.0000765400000000, -0.0004763800000000, -0.0006594000000000 ] - [ -0.0000431200000000, -0.0002987900000000, -0.0001089500000000 ] - [ 0.0025544300000000, 0.0019002100000000, -0.0039032100000000 ] - [ -0.0000717300000000, 0.0008533500000000, 0.0004565700000000 ] - [ 0.0000149100000000, -0.0007560700000000, 0.0006377800000000 ] - [ -0.0001882000000000, -0.0006834600000000, -0.0002308800000000 ] - [ -0.0000801600000000, -0.0000080600000000, 0.0002247500000000 ] - [ 0.0000085800000000, -0.0002650500000000, -0.0001157800000000 ] - [ 0.0008700400000000, -0.0002141500000000, -0.0011647200000000 ] - [ -0.0001854700000000, 0.0003085500000000, -0.0000007500000000 ] - [ -0.0001624000000000, 0.0000374500000000, -0.0003486000000000 ] - [ 0.0000821300000000, 0.0001941700000000, -0.0001669700000000 ] - [ 0.0000212600000000, -0.0002386700000000, -0.0002044800000000 ] - [ -0.0000705300000000, -0.0001248200000000, -0.0001515300000000 ] - [ 0.0000617200000000, -0.0001296900000000, -0.0001209200000000 ] - [ -0.0000399500000000, -0.0000020100000000, -0.0001287700000000 ] - [ -0.0001456200000000, 0.0002719800000000, -0.0004091300000000 ] - [ 0.0000464600000000, 0.0000546800000000, -0.0001432300000000 ] - [ -0.0000040600000000, -0.0001441200000000, 0.0002838900000000 ] - [ -0.0001612700000000, 0.0001797300000000, -0.0000603100000000 ] - [ -0.0003720600000000, -0.0002411900000000, -0.0011903700000000 ] - [ 0.0002655600000000, -0.0001038400000000, -0.0000521700000000 ] - [ -0.0007176200000000, 0.0007973500000000, -0.0005274100000000 ] - [ 0.0002257200000000, 0.0001448100000000, -0.0000833300000000 ] - [ 0.0001726200000000, -0.0004895800000000, -0.0002221800000000 ] - [ -0.0002299600000000, -0.0001092500000000, -0.0001541100000000 ] - [ 0.0000103300000000, 0.0000871200000000, -0.0001799600000000 ] - [ 0.0001619900000000, -0.0000264800000000, -0.0001737900000000 ] - [ 0.0002131700000000, -0.0001973100000000, -0.0003703700000000 ] - [ -0.0001745700000000, 0.0000252000000000, -0.0001548300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0051557400000000, 0.0112323300000000, 0.0064119700000000 ] - [ 0.0000536200000000, -0.0000383300000000, 0.0013505000000000 ] - [ -0.0007559400000000, 0.0013148100000000, 0.0026345700000000 ] - [ 0.0002898700000000, 0.0001293400000000, 0.0011849900000000 ] - [ -0.0016502800000000, 0.0026527200000000, -0.0022863900000000 ] - [ 0.0005647400000000, 0.0003518400000000, -0.0003794300000000 ] - [ 0.0023751800000000, -0.0048964400000000, -0.0019492300000000 ] - [ -0.0003275800000000, -0.0002916700000000, -0.0001826200000000 ] - [ 0.0001977900000000, 0.0003835300000000, -0.0016847400000000 ] - [ -0.0003302800000000, 0.0001006500000000, -0.0011328000000000 ] - [ 0.0002409800000000, -0.0003340300000000, -0.0011184400000000 ] - [ -0.0001667400000000, -0.0002697400000000, -0.0012502700000000 ] - [ 0.0005111300000000, -0.0001127300000000, 0.0056317300000000 ] - [ -0.0001959000000000, 0.0000780300000000, 0.0013560600000000 ] - [ 0.0005655900000000, -0.0003837600000000, 0.0009555400000000 ] - [ -0.0012886200000000, -0.0016038700000000, 0.0013980700000000 ] - [ 0.0017416100000000, 0.0015273600000000, -0.0033530600000000 ] - [ -0.0012759600000000, 0.0001593000000000, -0.0013168900000000 ] - [ 0.0001121300000000, 0.0000170700000000, -0.0001916500000000 ] - [ -0.0002628300000000, -0.0005223500000000, -0.0002774300000000 ] - [ -0.0000775200000000, -0.0000120700000000, -0.0017382600000000 ] - [ 0.0000731500000000, 0.0001070500000000, -0.0013647900000000 ] - [ 0.0000554900000000, -0.0001535900000000, -0.0011924400000000 ] - [ 0.0000358900000000, 0.0000242400000000, -0.0011857100000000 ] - [ -0.0293431600000000, -0.0015924200000000, 0.0336274400000000 ] - [ -0.0017048900000000, 0.0003182400000000, 0.0048967900000000 ] - [ 0.0005404500000000, -0.0010185400000000, 0.0025655600000000 ] - [ 0.0000438000000000, -0.0004120100000000, 0.0020491500000000 ] - [ 0.0067495600000000, 0.0158718900000000, 0.0352745600000000 ] - [ 0.0011774300000000, -0.0005029800000000, 0.0023135900000000 ] - [ 0.0004671200000000, -0.0006046200000000, 0.0025921700000000 ] - [ 0.0006791800000000, 0.0033926600000000, 0.0049595700000000 ] - [ 0.0007665200000000, -0.0022106400000000, -0.0036097000000000 ] - [ -0.0003375800000000, -0.0004172400000000, -0.0005599700000000 ] - [ -0.0009565200000000, 0.0029886100000000, -0.0021512900000000 ] - [ 0.0003940400000000, 0.0003741200000000, -0.0005730200000000 ] - [ -0.0034325400000000, -0.0004371000000000, -0.0041676000000000 ] - [ 0.0036808100000000, 0.0007620700000000, -0.0016934100000000 ] - [ -0.0002283700000000, -0.0007444300000000, -0.0007271400000000 ] - [ 0.0001618900000000, 0.0006501400000000, -0.0004444200000000 ] - [ -0.0006398700000000, -0.0001368300000000, -0.0024815800000000 ] - [ 0.0008869900000000, 0.0000834000000000, -0.0015896300000000 ] - [ -0.0002289500000000, 0.0000084600000000, -0.0013984700000000 ] - [ 0.0000989400000000, 0.0003663700000000, -0.0016297000000000 ] - [ -0.0001885700000000, 0.0005221700000000, -0.0020366200000000 ] - [ 0.0002912100000000, 0.0000551700000000, -0.0013445300000000 ] - [ 0.0001932900000000, -0.0005319200000000, -0.0021063800000000 ] - [ -0.0002309700000000, -0.0002037400000000, -0.0012722300000000 ] - [ 0.0349364300000000, -0.0383022900000000, -0.1035076400000000 ] - [ -0.0003142500000000, -0.0002908600000000, -0.0010887200000000 ] - [ 0.0000708000000000, 0.0001796100000000, -0.0011566400000000 ] - [ 0.0004927500000000, 0.0000011700000000, -0.0010176100000000 ] - [ -0.0036803800000000, -0.0073121000000000, 0.0033152600000000 ] - [ 0.0003481100000000, -0.0009426300000000, -0.0010866100000000 ] - [ -0.0012730300000000, 0.0006424800000000, -0.0009559400000000 ] - [ 0.0009635700000000, 0.0022613400000000, -0.0004661100000000 ] - [ -0.0026373200000000, -0.0000232000000000, -0.0004622700000000 ] - [ 0.0081816700000000, -0.0007928100000000, 0.0033064200000000 ] - [ 0.0002899900000000, -0.0003390300000000, -0.0009607900000000 ] - [ 0.0002518500000000, 0.0011619400000000, -0.0010855800000000 ] - [ 0.0000090600000000, 0.0003056600000000, -0.0036391200000000 ] - [ -0.0023162100000000, 0.0000094100000000, -0.0058276900000000 ] - [ 0.0006866000000000, 0.0024119100000000, -0.0025995200000000 ] - [ -0.0002629500000000, 0.0004090900000000, -0.0010917500000000 ] - [ 0.0006001800000000, 0.0005016500000000, -0.0036445500000000 ] - [ -0.0023416100000000, 0.0005952300000000, -0.0026061700000000 ] - [ -0.0004046800000000, 0.0002500500000000, -0.0010880400000000 ] - [ 0.0000413000000000, -0.0008955900000000, -0.0058165100000000 ] - [ -0.0110047800000000, 0.0137993400000000, 0.0208395300000000 ] - [ 0.0005636100000000, 0.0004401900000000, -0.0008967300000000 ] - [ 0.0003815100000000, -0.0004750900000000, -0.0009058500000000 ] - [ -0.0004887700000000, -0.0004256000000000, -0.0006465100000000 ] - [ 0.0006368700000000, 0.0003199200000000, 0.0008932500000000 ] - [ -0.0008508500000000, 0.0008083100000000, 0.0019755100000000 ] - [ -0.0000721400000000, 0.0000398700000000, 0.0004531200000000 ] - [ -0.0005193100000000, -0.0006094800000000, 0.0009103000000000 ] - [ -0.0004070000000000, 0.0012494900000000, -0.0000427500000000 ] - [ 0.0002054200000000, 0.0001011700000000, -0.0001912200000000 ] - [ 0.0052225100000000, -0.0042793000000000, 0.0059884900000000 ] - [ -0.0005440500000000, -0.0004986700000000, -0.0003273500000000 ] - [ 0.0025484600000000, 0.0027731100000000, 0.0059890900000000 ] - [ -0.0007737300000000, 0.0003618300000000, -0.0001864500000000 ] - [ 0.0008467900000000, -0.0003781000000000, -0.0003240300000000 ] - [ -0.0003372000000000, -0.0004595900000000, -0.0000499900000000 ] - [ 0.0000422500000000, -0.0005840100000000, 0.0019511300000000 ] - [ 0.0000028500000000, -0.0001301400000000, 0.0004477800000000 ] - [ -0.0000440200000000, -0.0000163800000000, 0.0005275300000000 ] - [ -0.0000134000000000, -0.0002019600000000, 0.0005318500000000 ] - [ 0.0011531000000000, 0.0002672500000000, 0.0019543600000000 ] - [ -0.0003291600000000, -0.0005192800000000, 0.0009049600000000 ] - [ 0.0000133000000000, 0.0008329800000000, 0.0009952800000000 ] - [ 0.0000066500000000, 0.0000897800000000, 0.0004054500000000 ] - [ -0.0052007700000000, 0.0016114900000000, 0.0055051900000000 ] - [ 0.0012434400000000, 0.0002436100000000, -0.0002325100000000 ] - [ -0.0001651400000000, -0.0007799000000000, -0.0003351300000000 ] - [ 0.0001553400000000, 0.0004104600000000, -0.0000729400000000 ] - [ -0.0000914300000000, -0.0004121700000000, 0.0009156000000000 ] - [ -0.0001194100000000, 0.0000851700000000, 0.0004623200000000 ] - [ -0.0013432600000000, 0.0003013200000000, 0.0019733000000000 ] - [ 0.0002072900000000, 0.0005375100000000, 0.0008969900000000 ] - [ 0.0004339400000000, 0.0001061800000000, 0.0013823400000000 ] - [ 0.0001479400000000, 0.0000010500000000, 0.0010698300000000 ] - [ 0.0001557000000000, 0.0002275400000000, 0.0009116800000000 ] - [ 0.0001713900000000, 0.0000572100000000, 0.0008083300000000 ] - [ -0.0000342500000000, -0.0002042700000000, 0.0010698700000000 ] - [ -0.0000315900000000, -0.0002459600000000, 0.0009085800000000 ] - [ -0.0000588000000000, -0.0003979500000000, 0.0013840000000000 ] - [ -0.0000037200000000, -0.0002002900000000, 0.0008044600000000 ] - [ 0.0003163400000000, -0.0006059900000000, 0.0009064000000000 ] - [ -0.0004704700000000, -0.0004346600000000, 0.0010036000000000 ] - [ 0.0006081700000000, 0.0004518700000000, 0.0019492300000000 ] - [ -0.0001282100000000, 0.0000012400000000, 0.0004132700000000 ] - [ 0.0008931100000000, -0.0003040300000000, 0.0019508600000000 ] - [ -0.0000560300000000, -0.0000070100000000, 0.0005409700000000 ] - [ -0.0000395700000000, 0.0004223100000000, 0.0005342300000000 ] - [ 0.0001555400000000, 0.0000841000000000, 0.0004523100000000 ] - [ -0.0002494300000000, 0.0000927800000000, 0.0011182700000000 ] - [ -0.0001727600000000, 0.0001325200000000, 0.0008775600000000 ] - [ -0.0003103100000000, 0.0002768800000000, 0.0012339600000000 ] - [ -0.0000634200000000, 0.0001718400000000, 0.0010378100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0050255100000000, -0.0110080000000000, -0.0063812700000000 ] - [ -0.0000366000000000, 0.0000373700000000, -0.0012801000000000 ] - [ 0.0007608600000000, -0.0013280800000000, -0.0025571000000000 ] - [ -0.0002909500000000, -0.0001312300000000, -0.0011188700000000 ] - [ 0.0016519900000000, -0.0026677500000000, 0.0021919000000000 ] - [ -0.0005638600000000, -0.0003540400000000, 0.0002772400000000 ] - [ -0.0023894100000000, 0.0049271700000000, 0.0018556100000000 ] - [ 0.0003266200000000, 0.0002926200000000, 0.0000799900000000 ] - [ -0.0001951300000000, -0.0003804900000000, 0.0017710300000000 ] - [ 0.0003286700000000, -0.0000997400000000, 0.0012227800000000 ] - [ -0.0002379000000000, 0.0003342900000000, 0.0012082100000000 ] - [ 0.0001667200000000, 0.0002692700000000, 0.0013383000000000 ] - [ -0.0007384200000000, -0.0001709200000000, -0.0053754600000000 ] - [ 0.0001987800000000, -0.0000793500000000, -0.0014276000000000 ] - [ -0.0005654100000000, 0.0003812200000000, -0.0010339600000000 ] - [ 0.0012802300000000, 0.0015995700000000, -0.0014646800000000 ] - [ -0.0017505600000000, -0.0015444100000000, 0.0034547600000000 ] - [ 0.0012814900000000, -0.0001584900000000, 0.0014138000000000 ] - [ -0.0001131100000000, -0.0000149300000000, 0.0002827300000000 ] - [ 0.0002657100000000, 0.0005278100000000, 0.0003670900000000 ] - [ 0.0000764900000000, 0.0000100600000000, 0.0016825600000000 ] - [ -0.0000742100000000, -0.0001070500000000, 0.0013093000000000 ] - [ -0.0000578200000000, 0.0001537300000000, 0.0011385500000000 ] - [ -0.0000356800000000, -0.0000242000000000, 0.0011326900000000 ] - [ 0.0303841100000000, 0.0016904300000000, -0.0339618700000000 ] - [ 0.0017013600000000, -0.0003068200000000, -0.0050439300000000 ] - [ -0.0005507400000000, 0.0010269000000000, -0.0027034100000000 ] - [ -0.0000429600000000, 0.0004010200000000, -0.0021959300000000 ] - [ -0.0075543400000000, -0.0170720600000000, -0.0360604600000000 ] - [ -0.0011616300000000, 0.0004989400000000, -0.0022927200000000 ] - [ -0.0004705900000000, 0.0006044200000000, -0.0025503900000000 ] - [ -0.0006889800000000, -0.0033772500000000, -0.0049429600000000 ] - [ -0.0007628200000000, 0.0021974300000000, 0.0035913500000000 ] - [ 0.0003416700000000, 0.0004153300000000, 0.0005596500000000 ] - [ 0.0009563400000000, -0.0029720200000000, 0.0021415900000000 ] - [ -0.0003902500000000, -0.0003694900000000, 0.0005715300000000 ] - [ 0.0034073800000000, 0.0004306100000000, 0.0041556000000000 ] - [ -0.0036617800000000, -0.0007552000000000, 0.0016977400000000 ] - [ 0.0002233800000000, 0.0007396100000000, 0.0007389200000000 ] - [ -0.0001615700000000, -0.0006470900000000, 0.0004607200000000 ] - [ 0.0006467600000000, 0.0001365200000000, 0.0024313800000000 ] - [ -0.0008910500000000, -0.0000830900000000, 0.0015349300000000 ] - [ 0.0002322200000000, -0.0000055500000000, 0.0013429900000000 ] - [ -0.0000966900000000, -0.0003650700000000, 0.0015744500000000 ] - [ 0.0001883700000000, -0.0005257500000000, 0.0021569900000000 ] - [ -0.0002906400000000, -0.0000589900000000, 0.0014634300000000 ] - [ -0.0001931400000000, 0.0005313300000000, 0.0022299100000000 ] - [ 0.0002318500000000, 0.0002018600000000, 0.0013900100000000 ] - [ -0.0350067300000000, 0.0395419900000000, 0.1044797400000000 ] - [ 0.0002964500000000, 0.0002535900000000, 0.0010518700000000 ] - [ -0.0000825200000000, -0.0002119100000000, 0.0011212900000000 ] - [ -0.0005003400000000, -0.0000403200000000, 0.0009812600000000 ] - [ 0.0037528100000000, 0.0073431900000000, -0.0032662400000000 ] - [ -0.0003201500000000, 0.0009113600000000, 0.0011615100000000 ] - [ 0.0013143500000000, -0.0006772400000000, 0.0010361300000000 ] - [ -0.0009290300000000, -0.0022872700000000, 0.0005512100000000 ] - [ 0.0025872400000000, 0.0000200300000000, 0.0005544800000000 ] - [ -0.0083036600000000, 0.0007949900000000, -0.0032745500000000 ] - [ -0.0003360800000000, 0.0003331300000000, 0.0010335300000000 ] - [ -0.0003028000000000, -0.0011788500000000, 0.0011625000000000 ] - [ -0.0000270500000000, -0.0002735500000000, 0.0036088200000000 ] - [ 0.0023788500000000, 0.0000131000000000, 0.0057722500000000 ] - [ -0.0006564500000000, -0.0024253600000000, 0.0025703800000000 ] - [ 0.0002898800000000, -0.0003984500000000, 0.0010546600000000 ] - [ -0.0006675700000000, -0.0005234800000000, 0.0036035400000000 ] - [ 0.0023287100000000, -0.0005690000000000, 0.0025681100000000 ] - [ 0.0003766700000000, -0.0002172000000000, 0.0010552400000000 ] - [ -0.0000466400000000, 0.0009718100000000, 0.0057837900000000 ] - [ 0.0112549200000000, -0.0140257300000000, -0.0211514000000000 ] - [ -0.0005520300000000, -0.0003998600000000, 0.0009708500000000 ] - [ -0.0003637700000000, 0.0005172700000000, 0.0009755000000000 ] - [ 0.0005066600000000, 0.0004679100000000, 0.0007213900000000 ] - [ -0.0006357000000000, -0.0003549800000000, -0.0009675700000000 ] - [ 0.0008418200000000, -0.0008391200000000, -0.0020413000000000 ] - [ 0.0000661300000000, -0.0000768500000000, -0.0005285600000000 ] - [ 0.0005132800000000, 0.0005682500000000, -0.0009842300000000 ] - [ 0.0004359700000000, -0.0012618700000000, 0.0001142700000000 ] - [ -0.0001769600000000, -0.0001227000000000, 0.0002590000000000 ] - [ -0.0051266800000000, 0.0042109700000000, -0.0058547000000000 ] - [ 0.0005691800000000, 0.0004745100000000, 0.0003932400000000 ] - [ -0.0025511800000000, -0.0027460000000000, -0.0058604700000000 ] - [ 0.0007334500000000, -0.0003749900000000, 0.0002616900000000 ] - [ -0.0008762300000000, 0.0003620300000000, 0.0003932200000000 ] - [ 0.0003116700000000, 0.0004616400000000, 0.0001127500000000 ] - [ -0.0000064700000000, 0.0005967400000000, -0.0020228700000000 ] - [ 0.0000329600000000, 0.0001448100000000, -0.0005256600000000 ] - [ 0.0000775400000000, 0.0000326600000000, -0.0006083300000000 ] - [ 0.0000485700000000, 0.0002128000000000, -0.0006066900000000 ] - [ -0.0011769800000000, -0.0002448400000000, -0.0020212700000000 ] - [ 0.0002950700000000, 0.0005397100000000, -0.0009779600000000 ] - [ -0.0000461500000000, -0.0008076100000000, -0.0010710400000000 ] - [ -0.0000394600000000, -0.0000701000000000, -0.0004832500000000 ] - [ 0.0051409200000000, -0.0015461300000000, -0.0053644200000000 ] - [ -0.0012326600000000, -0.0002062700000000, 0.0002999500000000 ] - [ 0.0001702000000000, 0.0008109700000000, 0.0004017500000000 ] - [ -0.0001477400000000, -0.0003730900000000, 0.0001401500000000 ] - [ 0.0000731900000000, 0.0003734600000000, -0.0009773800000000 ] - [ 0.0000991600000000, -0.0001281500000000, -0.0005250000000000 ] - [ 0.0013361200000000, -0.0003439200000000, -0.0020479500000000 ] - [ -0.0002270400000000, -0.0005806000000000, -0.0009618100000000 ] - [ -0.0004117400000000, -0.0001334800000000, -0.0013500800000000 ] - [ -0.0001213000000000, -0.0000240700000000, -0.0010307500000000 ] - [ -0.0001303700000000, -0.0002534800000000, -0.0008708900000000 ] - [ -0.0001456400000000, -0.0000830800000000, -0.0007693200000000 ] - [ -0.0000005300000000, 0.0001969400000000, -0.0010320900000000 ] - [ -0.0000024000000000, 0.0002383200000000, -0.0008696200000000 ] - [ 0.0000211900000000, 0.0003927600000000, -0.0013504400000000 ] - [ -0.0000334800000000, 0.0001944200000000, -0.0007672700000000 ] - [ -0.0002729300000000, 0.0006149900000000, -0.0009719500000000 ] - [ 0.0005185000000000, 0.0004413800000000, -0.0010676200000000 ] - [ -0.0005688100000000, -0.0004501100000000, -0.0020239300000000 ] - [ 0.0001736900000000, 0.0000050100000000, -0.0004770500000000 ] - [ -0.0009254900000000, 0.0003432800000000, -0.0020209600000000 ] - [ 0.0000270400000000, 0.0000440100000000, -0.0006052100000000 ] - [ 0.0000102900000000, -0.0003902300000000, -0.0005996000000000 ] - [ -0.0001848300000000, -0.0000506600000000, -0.0005173100000000 ] - [ 0.0002631100000000, -0.0000576100000000, -0.0010847600000000 ] - [ 0.0001813900000000, -0.0000989700000000, -0.0008391500000000 ] - [ 0.0003230100000000, -0.0002442900000000, -0.0011975100000000 ] - [ 0.0000752900000000, -0.0001370400000000, -0.0010029600000000 ]