# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/039af21a-cdda-41c1-a8dc-828f9dc0a1c9/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 TiNb2O7 / Cm (8) / materials id 758243](https://mdr.nims.go.jp/datasets/b119afc6-5026-4ad7-9de6-58fcb9352d47) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cm" number: 8 Hall_symbol: "C -2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.310202374999999, -1.896051105000000, 0.000654060000000 ] # a - [ 10.310202374999999, 1.896051105000000, 0.000654060000000 ] # b - [ -6.053668750000000, 0.000000000000000, 10.422698450000000 ] # c points: - symbol: Ti # 1 coordinates: [ 0.078846050000000, 0.078846050000000, 0.639841410000000 ] mass: 47.867000 - symbol: Ti # 2 coordinates: [ 0.999719340000000, 0.999719340000000, 0.995619020000000 ] mass: 47.867000 - symbol: Ti # 3 coordinates: [ 0.290870240000000, 0.290870240000000, 0.361646160000000 ] mass: 47.867000 - symbol: Nb # 4 coordinates: [ 0.891390480000000, 0.891390480000000, 0.629602590000000 ] mass: 92.906380 - symbol: Nb # 5 coordinates: [ 0.821042330000000, 0.821042330000000, 0.004789110000000 ] mass: 92.906380 - symbol: Nb # 6 coordinates: [ 0.705657980000000, 0.705657980000000, 0.636367660000000 ] mass: 92.906380 - symbol: Nb # 7 coordinates: [ 0.924394790000000, 0.924394790000000, 0.372699260000000 ] mass: 92.906380 - symbol: Nb # 8 coordinates: [ 0.181953520000000, 0.181953520000000, 0.001384120000000 ] mass: 92.906380 - symbol: Nb # 9 coordinates: [ 0.109484310000000, 0.109484310000000, 0.361223060000000 ] mass: 92.906380 - symbol: O # 10 coordinates: [ 0.948857730000000, 0.948857730000000, 0.801015480000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.292956380000000, 0.292956380000000, 0.999317500000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.126678380000000, 0.126678380000000, 0.809819860000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.369671520000000, 0.369671520000000, 0.576120590000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.902244590000000, 0.902244590000000, 0.986897400000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.207143200000000, 0.207143200000000, 0.378157870000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.975559870000000, 0.975559870000000, 0.584086970000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.752551800000000, 0.752551800000000, 0.810408360000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.498998250000000, 0.498998250000000, 0.995509320000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.825922230000000, 0.825922230000000, 0.401066960000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.597026190000000, 0.597026190000000, 0.624425260000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.402326120000000, 0.402326120000000, 0.381574680000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.171849590000000, 0.171849590000000, 0.597517860000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.249652540000000, 0.249652540000000, 0.194223080000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.026291600000000, 0.026291600000000, 0.419645500000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.789109290000000, 0.789109290000000, 0.614550230000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.098120670000000, 0.098120670000000, 0.012603140000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.625675840000000, 0.625675840000000, 0.419850970000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.877469990000000, 0.877469990000000, 0.194498130000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.710717080000000, 0.710717080000000, 0.004088410000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.047820750000000, 0.047820750000000, 0.191452070000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.048493866517439, -0.263705972207959, 0.028166007652586 ] # a* - [ 0.048493866517439, 0.263705972207959, 0.028166007652586 ] # b* - [ -0.000006086312194, 0.000000000000000, 0.095940908228240 ] # c*unit_cell: lattice: - [ 20.620404749999999, 0.000000000000000, 0.001308120000000 ] # a - [ 0.000000000000000, 3.792102210000000, 0.000000000000000 ] # b - [ -6.053668750000000, 0.000000000000000, 10.422698450000000 ] # c points: - symbol: Ti # 1 coordinates: [ 0.078846050000000, 0.000000000000000, 0.639841410000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 2 coordinates: [ 0.999719340000000, 0.000000000000000, 0.995619020000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 3 coordinates: [ 0.790870240000000, 0.500000000000000, 0.361646160000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 4 coordinates: [ 0.578846050000000, 0.500000000000000, 0.639841410000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 5 coordinates: [ 0.499719340000000, 0.500000000000000, 0.995619020000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 6 coordinates: [ 0.290870240000000, 0.000000000000000, 0.361646160000000 ] mass: 47.867000 reduced_to: 3 - symbol: Nb # 7 coordinates: [ 0.891390480000000, 0.000000000000000, 0.629602590000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.821042330000000, 0.000000000000000, 0.004789110000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.205657980000000, 0.500000000000000, 0.636367660000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 10 coordinates: [ 0.924394790000000, 0.000000000000000, 0.372699260000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 11 coordinates: [ 0.681953520000000, 0.500000000000000, 0.001384120000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 12 coordinates: [ 0.109484310000000, 0.000000000000000, 0.361223060000000 ] mass: 92.906380 reduced_to: 12 - symbol: Nb # 13 coordinates: [ 0.391390480000000, 0.500000000000000, 0.629602590000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 14 coordinates: [ 0.321042330000000, 0.500000000000000, 0.004789110000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 15 coordinates: [ 0.705657980000000, 0.000000000000000, 0.636367660000000 ] mass: 92.906380 reduced_to: 9 - symbol: Nb # 16 coordinates: [ 0.424394790000000, 0.500000000000000, 0.372699260000000 ] mass: 92.906380 reduced_to: 10 - symbol: Nb # 17 coordinates: [ 0.181953520000000, 0.000000000000000, 0.001384120000000 ] mass: 92.906380 reduced_to: 11 - symbol: Nb # 18 coordinates: [ 0.609484310000000, 0.500000000000000, 0.361223060000000 ] mass: 92.906380 reduced_to: 12 - symbol: O # 19 coordinates: [ 0.948857730000000, 0.000000000000000, 0.801015480000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.292956380000000, 0.000000000000000, 0.999317500000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.126678380000000, 0.000000000000000, 0.809819860000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.869671520000000, 0.500000000000000, 0.576120590000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.402244590000000, 0.500000000000000, 0.986897400000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.707143200000000, 0.500000000000000, 0.378157870000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.975559870000000, 0.000000000000000, 0.584086970000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.252551800000000, 0.500000000000000, 0.810408360000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.498998250000000, 0.000000000000000, 0.995509320000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.825922230000000, 0.000000000000000, 0.401066960000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.097026190000000, 0.500000000000000, 0.624425260000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.902326120000000, 0.500000000000000, 0.381574680000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.171849590000000, 0.000000000000000, 0.597517860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.749652540000000, 0.500000000000000, 0.194223080000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.026291600000000, 0.000000000000000, 0.419645500000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.289109290000000, 0.500000000000000, 0.614550230000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.598120670000000, 0.500000000000000, 0.012603140000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.125675840000000, 0.500000000000000, 0.419850970000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.877469990000000, 0.000000000000000, 0.194498130000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.710717080000000, 0.000000000000000, 0.004088410000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.047820750000000, 0.000000000000000, 0.191452070000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.448857730000000, 0.500000000000000, 0.801015480000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 41 coordinates: [ 0.792956380000000, 0.500000000000000, 0.999317500000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 42 coordinates: [ 0.626678380000000, 0.500000000000000, 0.809819860000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 43 coordinates: [ 0.369671520000000, 0.000000000000000, 0.576120590000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 44 coordinates: [ 0.902244590000000, 0.000000000000000, 0.986897400000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 45 coordinates: [ 0.207143200000000, 0.000000000000000, 0.378157870000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 46 coordinates: [ 0.475559870000000, 0.500000000000000, 0.584086970000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 47 coordinates: [ 0.752551800000000, 0.000000000000000, 0.810408360000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 48 coordinates: [ 0.998998250000000, 0.500000000000000, 0.995509320000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 49 coordinates: [ 0.325922230000000, 0.500000000000000, 0.401066960000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 50 coordinates: [ 0.597026190000000, 0.000000000000000, 0.624425260000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 51 coordinates: [ 0.402326120000000, 0.000000000000000, 0.381574680000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 52 coordinates: [ 0.671849590000000, 0.500000000000000, 0.597517860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 53 coordinates: [ 0.249652540000000, 0.000000000000000, 0.194223080000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 54 coordinates: [ 0.526291600000000, 0.500000000000000, 0.419645500000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 55 coordinates: [ 0.789109290000000, 0.000000000000000, 0.614550230000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 56 coordinates: [ 0.098120670000000, 0.000000000000000, 0.012603140000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 57 coordinates: [ 0.625675840000000, 0.000000000000000, 0.419850970000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 58 coordinates: [ 0.377469990000000, 0.500000000000000, 0.194498130000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 59 coordinates: [ 0.210717080000000, 0.500000000000000, 0.004088410000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 60 coordinates: [ 0.547820750000000, 0.500000000000000, 0.191452070000000 ] mass: 15.999400 reduced_to: 39supercell: lattice: - [ 20.620404749999999, 0.000000000000000, 0.001308120000000 ] # a - [ 0.000000000000000, 7.584204420000000, 0.000000000000000 ] # b - [ -6.053668750000000, 0.000000000000000, 10.422698450000000 ] # c points: - symbol: Ti # 1 coordinates: [ 0.078846050000000, 0.000000000000000, 0.639841410000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 2 coordinates: [ 0.078846050000000, 0.500000000000000, 0.639841410000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 3 coordinates: [ 0.999719340000000, 0.000000000000000, 0.995619020000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 4 coordinates: [ 0.999719340000000, 0.500000000000000, 0.995619020000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 5 coordinates: [ 0.790870240000000, 0.250000000000000, 0.361646160000000 ] mass: 47.867000 reduced_to: 5 - symbol: Ti # 6 coordinates: [ 0.790870240000000, 0.750000000000000, 0.361646160000000 ] mass: 47.867000 reduced_to: 5 - symbol: Ti # 7 coordinates: [ 0.578846050000000, 0.250000000000000, 0.639841410000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 8 coordinates: [ 0.578846050000000, 0.750000000000000, 0.639841410000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 9 coordinates: [ 0.499719340000000, 0.250000000000000, 0.995619020000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 10 coordinates: [ 0.499719340000000, 0.750000000000000, 0.995619020000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 11 coordinates: [ 0.290870240000000, 0.000000000000000, 0.361646160000000 ] mass: 47.867000 reduced_to: 5 - symbol: Ti # 12 coordinates: [ 0.290870240000000, 0.500000000000000, 0.361646160000000 ] mass: 47.867000 reduced_to: 5 - symbol: Nb # 13 coordinates: [ 0.891390480000000, 0.000000000000000, 0.629602590000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 14 coordinates: [ 0.891390480000000, 0.500000000000000, 0.629602590000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 15 coordinates: [ 0.821042330000000, 0.000000000000000, 0.004789110000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 16 coordinates: [ 0.821042330000000, 0.500000000000000, 0.004789110000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 17 coordinates: [ 0.205657980000000, 0.250000000000000, 0.636367660000000 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 18 coordinates: [ 0.205657980000000, 0.750000000000000, 0.636367660000000 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 19 coordinates: [ 0.924394790000000, 0.000000000000000, 0.372699260000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 20 coordinates: [ 0.924394790000000, 0.500000000000000, 0.372699260000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 21 coordinates: [ 0.681953520000000, 0.250000000000000, 0.001384120000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 22 coordinates: [ 0.681953520000000, 0.750000000000000, 0.001384120000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 23 coordinates: [ 0.109484310000000, 0.000000000000000, 0.361223060000000 ] mass: 92.906380 reduced_to: 23 - symbol: Nb # 24 coordinates: [ 0.109484310000000, 0.500000000000000, 0.361223060000000 ] mass: 92.906380 reduced_to: 23 - symbol: Nb # 25 coordinates: [ 0.391390480000000, 0.250000000000000, 0.629602590000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 26 coordinates: [ 0.391390480000000, 0.750000000000000, 0.629602590000000 ] mass: 92.906380 reduced_to: 13 - symbol: Nb # 27 coordinates: [ 0.321042330000000, 0.250000000000000, 0.004789110000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 28 coordinates: [ 0.321042330000000, 0.750000000000000, 0.004789110000000 ] mass: 92.906380 reduced_to: 15 - symbol: Nb # 29 coordinates: [ 0.705657980000000, 0.000000000000000, 0.636367660000000 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 30 coordinates: [ 0.705657980000000, 0.500000000000000, 0.636367660000000 ] mass: 92.906380 reduced_to: 17 - symbol: Nb # 31 coordinates: [ 0.424394790000000, 0.250000000000000, 0.372699260000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 32 coordinates: [ 0.424394790000000, 0.750000000000000, 0.372699260000000 ] mass: 92.906380 reduced_to: 19 - symbol: Nb # 33 coordinates: [ 0.181953520000000, 0.000000000000000, 0.001384120000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 34 coordinates: [ 0.181953520000000, 0.500000000000000, 0.001384120000000 ] mass: 92.906380 reduced_to: 21 - symbol: Nb # 35 coordinates: [ 0.609484310000000, 0.250000000000000, 0.361223060000000 ] mass: 92.906380 reduced_to: 23 - symbol: Nb # 36 coordinates: [ 0.609484310000000, 0.750000000000000, 0.361223060000000 ] mass: 92.906380 reduced_to: 23 - symbol: O # 37 coordinates: [ 0.948857730000000, 0.000000000000000, 0.801015480000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.948857730000000, 0.500000000000000, 0.801015480000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.292956380000000, 0.000000000000000, 0.999317500000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.292956380000000, 0.500000000000000, 0.999317500000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.126678380000000, 0.000000000000000, 0.809819860000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.126678380000000, 0.500000000000000, 0.809819860000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.869671520000000, 0.250000000000000, 0.576120590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.869671520000000, 0.750000000000000, 0.576120590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.402244590000000, 0.250000000000000, 0.986897400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.402244590000000, 0.750000000000000, 0.986897400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.707143200000000, 0.250000000000000, 0.378157870000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.707143200000000, 0.750000000000000, 0.378157870000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.975559870000000, 0.000000000000000, 0.584086970000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.975559870000000, 0.500000000000000, 0.584086970000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.252551800000000, 0.250000000000000, 0.810408360000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.252551800000000, 0.750000000000000, 0.810408360000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.498998250000000, 0.000000000000000, 0.995509320000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.498998250000000, 0.500000000000000, 0.995509320000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.825922230000000, 0.000000000000000, 0.401066960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.825922230000000, 0.500000000000000, 0.401066960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.097026190000000, 0.250000000000000, 0.624425260000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.097026190000000, 0.750000000000000, 0.624425260000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.902326120000000, 0.250000000000000, 0.381574680000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.902326120000000, 0.750000000000000, 0.381574680000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.171849590000000, 0.000000000000000, 0.597517860000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.171849590000000, 0.500000000000000, 0.597517860000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.749652540000000, 0.250000000000000, 0.194223080000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.749652540000000, 0.750000000000000, 0.194223080000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.026291600000000, 0.000000000000000, 0.419645500000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.026291600000000, 0.500000000000000, 0.419645500000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.289109290000000, 0.250000000000000, 0.614550230000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.289109290000000, 0.750000000000000, 0.614550230000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.598120670000000, 0.250000000000000, 0.012603140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.598120670000000, 0.750000000000000, 0.012603140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.125675840000000, 0.250000000000000, 0.419850970000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.125675840000000, 0.750000000000000, 0.419850970000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.877469990000000, 0.000000000000000, 0.194498130000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.877469990000000, 0.500000000000000, 0.194498130000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.710717080000000, 0.000000000000000, 0.004088410000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.710717080000000, 0.500000000000000, 0.004088410000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.047820750000000, 0.000000000000000, 0.191452070000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.047820750000000, 0.500000000000000, 0.191452070000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.448857730000000, 0.250000000000000, 0.801015480000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.448857730000000, 0.750000000000000, 0.801015480000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 81 coordinates: [ 0.792956380000000, 0.250000000000000, 0.999317500000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 82 coordinates: [ 0.792956380000000, 0.750000000000000, 0.999317500000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 83 coordinates: [ 0.626678380000000, 0.250000000000000, 0.809819860000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 84 coordinates: [ 0.626678380000000, 0.750000000000000, 0.809819860000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 85 coordinates: [ 0.369671520000000, 0.000000000000000, 0.576120590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 86 coordinates: [ 0.369671520000000, 0.500000000000000, 0.576120590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 87 coordinates: [ 0.902244590000000, 0.000000000000000, 0.986897400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 88 coordinates: [ 0.902244590000000, 0.500000000000000, 0.986897400000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 89 coordinates: [ 0.207143200000000, 0.000000000000000, 0.378157870000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 90 coordinates: [ 0.207143200000000, 0.500000000000000, 0.378157870000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 91 coordinates: [ 0.475559870000000, 0.250000000000000, 0.584086970000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 92 coordinates: [ 0.475559870000000, 0.750000000000000, 0.584086970000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 93 coordinates: [ 0.752551800000000, 0.000000000000000, 0.810408360000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 94 coordinates: [ 0.752551800000000, 0.500000000000000, 0.810408360000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 95 coordinates: [ 0.998998250000000, 0.250000000000000, 0.995509320000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 96 coordinates: [ 0.998998250000000, 0.750000000000000, 0.995509320000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 97 coordinates: [ 0.325922230000000, 0.250000000000000, 0.401066960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 98 coordinates: [ 0.325922230000000, 0.750000000000000, 0.401066960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 99 coordinates: [ 0.597026190000000, 0.000000000000000, 0.624425260000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 100 coordinates: [ 0.597026190000000, 0.500000000000000, 0.624425260000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 101 coordinates: [ 0.402326120000000, 0.000000000000000, 0.381574680000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 102 coordinates: [ 0.402326120000000, 0.500000000000000, 0.381574680000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 103 coordinates: [ 0.671849590000000, 0.250000000000000, 0.597517860000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 104 coordinates: [ 0.671849590000000, 0.750000000000000, 0.597517860000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 105 coordinates: [ 0.249652540000000, 0.000000000000000, 0.194223080000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 106 coordinates: [ 0.249652540000000, 0.500000000000000, 0.194223080000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 107 coordinates: [ 0.526291600000000, 0.250000000000000, 0.419645500000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 108 coordinates: [ 0.526291600000000, 0.750000000000000, 0.419645500000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 109 coordinates: [ 0.789109290000000, 0.000000000000000, 0.614550230000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 110 coordinates: [ 0.789109290000000, 0.500000000000000, 0.614550230000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 111 coordinates: [ 0.098120670000000, 0.000000000000000, 0.012603140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 112 coordinates: [ 0.098120670000000, 0.500000000000000, 0.012603140000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 113 coordinates: [ 0.625675840000000, 0.000000000000000, 0.419850970000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 114 coordinates: [ 0.625675840000000, 0.500000000000000, 0.419850970000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 115 coordinates: [ 0.377469990000000, 0.250000000000000, 0.194498130000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 116 coordinates: [ 0.377469990000000, 0.750000000000000, 0.194498130000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 117 coordinates: [ 0.210717080000000, 0.250000000000000, 0.004088410000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 118 coordinates: [ 0.210717080000000, 0.750000000000000, 0.004088410000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 119 coordinates: [ 0.547820750000000, 0.250000000000000, 0.191452070000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 120 coordinates: [ 0.547820750000000, 0.750000000000000, 0.191452070000000 ] mass: 15.999400 reduced_to: 77displacements:- atom: 1 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.2130438100000000, 0.0000000000000000, -0.0218392900000000 ] - [ -0.0110370400000000, 0.0000000000000000, -0.0023680900000000 ] - [ -0.0085851500000000, 0.0000000000000000, -0.0139807900000000 ] - [ -0.0081683400000000, 0.0000000000000000, -0.0073985900000000 ] - [ 0.0029285600000000, -0.0029312400000000, 0.0058154600000000 ] - [ 0.0029285600000000, 0.0029312400000000, 0.0058154600000000 ] - [ 0.0072455100000000, -0.0003715800000000, 0.0016461500000000 ] - [ 0.0072455100000000, 0.0003715800000000, 0.0016461500000000 ] - [ 0.0020554400000000, 0.0000138500000000, 0.0044930000000000 ] - [ 0.0020554400000000, -0.0000138500000000, 0.0044930000000000 ] - [ 0.0012319300000000, 0.0000000000000000, -0.0019124700000000 ] - [ 0.0002361200000000, 0.0000000000000000, -0.0013247100000000 ] - [ 0.0594017300000000, 0.0000000000000000, -0.0067813700000000 ] - [ -0.0041119300000000, 0.0000000000000000, -0.0054435100000000 ] - [ -0.0026311800000000, 0.0000000000000000, 0.0022540800000000 ] - [ -0.0039004800000000, 0.0000000000000000, -0.0001233600000000 ] - [ 0.0191814000000000, 0.0360850500000000, -0.0010373500000000 ] - [ 0.0191814000000000, -0.0360850500000000, -0.0010373500000000 ] - [ -0.0135673700000000, 0.0000000000000000, 0.0519028000000000 ] - [ -0.0153625800000000, 0.0000000000000000, 0.0003284700000000 ] - [ 0.0077851000000000, -0.0002925500000000, 0.0038602500000000 ] - [ 0.0077851000000000, 0.0002925500000000, 0.0038602500000000 ] - [ -0.0090864900000000, 0.0000000000000000, -0.0198454900000000 ] - [ -0.0054599500000000, 0.0000000000000000, -0.0037279900000000 ] - [ 0.0103665400000000, 0.0000944800000000, -0.0009529000000000 ] - [ 0.0103665400000000, -0.0000944800000000, -0.0009529000000000 ] - [ -0.0015978600000000, 0.0003667900000000, 0.0097861800000000 ] - [ -0.0015978600000000, -0.0003667900000000, 0.0097861800000000 ] - [ 0.0088799700000000, 0.0000000000000000, -0.0014702500000000 ] - [ 0.0049801400000000, 0.0000000000000000, -0.0016828900000000 ] - [ 0.0001841300000000, -0.0000014400000000, 0.0050291600000000 ] - [ 0.0001841300000000, 0.0000014400000000, 0.0050291600000000 ] - [ -0.0049685700000000, 0.0000000000000000, -0.0000106100000000 ] - [ -0.0015594500000000, 0.0000000000000000, 0.0038909600000000 ] - [ 0.0053811900000000, -0.0002691000000000, 0.0057340600000000 ] - [ 0.0053811900000000, 0.0002691000000000, 0.0057340600000000 ] - [ -0.0036153200000000, 0.0000000000000000, 0.0122756100000000 ] - [ 0.0002331300000000, 0.0000000000000000, 0.0050540000000000 ] - [ 0.0058231400000000, 0.0000000000000000, -0.0005637700000000 ] - [ 0.0059125400000000, 0.0000000000000000, -0.0003960500000000 ] - [ 0.0216496300000000, 0.0000000000000000, -0.0102355700000000 ] - [ 0.0032093000000000, 0.0000000000000000, -0.0067932200000000 ] - [ -0.0039061800000000, 0.0118619100000000, -0.0018500600000000 ] - [ -0.0039061800000000, -0.0118619100000000, -0.0018500600000000 ] - [ -0.0016780400000000, -0.0000107000000000, -0.0011216900000000 ] - [ -0.0016780400000000, 0.0000107000000000, -0.0011216900000000 ] - [ -0.0050223100000000, 0.0002753700000000, -0.0008735500000000 ] - [ -0.0050223100000000, -0.0002753700000000, -0.0008735500000000 ] - [ 0.0794762300000000, 0.0000000000000000, 0.0113808500000000 ] - [ 0.0134561700000000, 0.0000000000000000, 0.0026484100000000 ] - [ -0.0011424200000000, -0.0019934900000000, -0.0090803000000000 ] - [ -0.0011424200000000, 0.0019934900000000, -0.0090803000000000 ] - [ 0.0021248900000000, 0.0000000000000000, -0.0011598600000000 ] - [ 0.0021391400000000, 0.0000000000000000, -0.0011494800000000 ] - [ -0.0038963100000000, 0.0000000000000000, -0.0060636600000000 ] - [ 0.0006502900000000, 0.0000000000000000, -0.0007418000000000 ] - [ 0.0190218000000000, 0.0102666400000000, 0.0010132800000000 ] - [ 0.0190218000000000, -0.0102666400000000, 0.0010132800000000 ] - [ 0.0039012000000000, 0.0073964800000000, -0.0052913600000000 ] - [ 0.0039012000000000, -0.0073964800000000, -0.0052913600000000 ] - [ -0.0041054400000000, 0.0000000000000000, 0.0058726600000000 ] - [ 0.0058772700000000, 0.0000000000000000, 0.0053249100000000 ] - [ -0.0003990400000000, 0.0002904900000000, -0.0040618300000000 ] - [ -0.0003990400000000, -0.0002904900000000, -0.0040618300000000 ] - [ 0.0260829400000000, 0.0000000000000000, -0.0012658500000000 ] - [ 0.0106841800000000, 0.0000000000000000, 0.0047647600000000 ] - [ -0.0105178000000000, -0.0015205400000000, 0.0005796800000000 ] - [ -0.0105178000000000, 0.0015205400000000, 0.0005796800000000 ] - [ -0.0049072000000000, 0.0000088700000000, -0.0008805700000000 ] - [ -0.0049072000000000, -0.0000088700000000, -0.0008805700000000 ] - [ 0.0010194300000000, -0.0024701200000000, 0.0030763800000000 ] - [ 0.0010194300000000, 0.0024701200000000, 0.0030763800000000 ] - [ -0.0002342800000000, 0.0000000000000000, -0.0129203000000000 ] - [ 0.0005548900000000, 0.0000000000000000, -0.0028203700000000 ] - [ -0.0061488900000000, 0.0000000000000000, -0.0013258700000000 ] - [ -0.0057089900000000, 0.0000000000000000, -0.0012884800000000 ] - [ 0.0018782500000000, 0.0000000000000000, 0.0086857900000000 ] - [ 0.0008388000000000, 0.0000000000000000, 0.0056043900000000 ] - [ -0.0013362200000000, -0.0000047200000000, -0.0026522500000000 ] - [ -0.0013362200000000, 0.0000047200000000, -0.0026522500000000 ] - [ 0.0040930200000000, 0.0008848400000000, 0.0010989800000000 ] - [ 0.0040930200000000, -0.0008848400000000, 0.0010989800000000 ] - [ -0.0000095500000000, 0.0000645600000000, -0.0013138500000000 ] - [ -0.0000095500000000, -0.0000645600000000, -0.0013138500000000 ] - [ -0.0013290200000000, 0.0000000000000000, 0.0014487000000000 ] - [ -0.0013264000000000, 0.0000000000000000, 0.0014786300000000 ] - [ 0.0040403800000000, 0.0000000000000000, 0.0011553700000000 ] - [ 0.0040406800000000, 0.0000000000000000, 0.0006654200000000 ] - [ -0.0003106300000000, 0.0000000000000000, 0.0023858200000000 ] - [ 0.0000157900000000, 0.0000000000000000, 0.0008923300000000 ] - [ -0.0062278200000000, 0.0000172900000000, -0.0006949400000000 ] - [ -0.0062278200000000, -0.0000172900000000, -0.0006949400000000 ] - [ -0.0010234800000000, 0.0000000000000000, 0.0002746600000000 ] - [ -0.0004907800000000, 0.0000000000000000, 0.0002400000000000 ] - [ 0.0040894000000000, 0.0010101000000000, 0.0022360000000000 ] - [ 0.0040894000000000, -0.0010101000000000, 0.0022360000000000 ] - [ -0.0017535200000000, -0.0000302200000000, 0.0005321900000000 ] - [ -0.0017535200000000, 0.0000302200000000, 0.0005321900000000 ] - [ -0.0062886400000000, 0.0000000000000000, 0.0000813300000000 ] - [ -0.0053523700000000, 0.0000000000000000, 0.0001998100000000 ] - [ 0.0030216100000000, 0.0000000000000000, -0.0015111800000000 ] - [ 0.0030527700000000, 0.0000000000000000, -0.0015268300000000 ] - [ -0.0004107900000000, 0.0005889600000000, 0.0014103400000000 ] - [ -0.0004107900000000, -0.0005889600000000, 0.0014103400000000 ] - [ 0.0004877800000000, 0.0000000000000000, 0.0021422000000000 ] - [ 0.0002602000000000, 0.0000000000000000, 0.0009407400000000 ] - [ -0.0028892600000000, 0.0000389500000000, -0.0007236300000000 ] - [ -0.0028892600000000, -0.0000389500000000, -0.0007236300000000 ] - [ -0.0144474100000000, 0.0000000000000000, -0.0012368000000000 ] - [ -0.0053972500000000, 0.0000000000000000, 0.0005270600000000 ] - [ 0.0073264200000000, 0.0000000000000000, 0.0005601200000000 ] - [ 0.0053275500000000, 0.0000000000000000, 0.0002848800000000 ] - [ -0.0011834000000000, 0.0000000000000000, -0.0035992600000000 ] - [ -0.0010190400000000, 0.0000000000000000, -0.0031794600000000 ] - [ -0.0004631300000000, -0.0000351400000000, -0.0053511500000000 ] - [ -0.0004631300000000, 0.0000351400000000, -0.0053511500000000 ] - [ -0.0035873200000000, 0.0013810800000000, -0.0011349600000000 ] - [ -0.0035873200000000, -0.0013810800000000, -0.0011349600000000 ] - [ -0.0011712100000000, 0.0000076200000000, -0.0030794900000000 ] - [ -0.0011712100000000, -0.0000076200000000, -0.0030794900000000 ]- atom: 1 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.2239248600000000, 0.0000000000000000, 0.0231059500000000 ] - [ 0.0154373700000000, 0.0000000000000000, 0.0000050600000000 ] - [ 0.0017364400000000, 0.0000000000000000, 0.0138841600000000 ] - [ 0.0012025300000000, 0.0000000000000000, 0.0072951300000000 ] - [ -0.0056440000000000, 0.0029536800000000, -0.0058990400000000 ] - [ -0.0056440000000000, -0.0029536800000000, -0.0058990400000000 ] - [ -0.0028687500000000, 0.0003723200000000, -0.0040179700000000 ] - [ -0.0028687500000000, -0.0003723200000000, -0.0040179700000000 ] - [ -0.0091066800000000, -0.0000108200000000, -0.0046113100000000 ] - [ -0.0091066800000000, 0.0000108200000000, -0.0046113100000000 ] - [ -0.0038784200000000, 0.0000000000000000, 0.0017523600000000 ] - [ -0.0029000400000000, 0.0000000000000000, 0.0011888900000000 ] - [ -0.0608736900000000, 0.0000000000000000, 0.0030848700000000 ] - [ 0.0030593200000000, 0.0000000000000000, 0.0018060200000000 ] - [ -0.0039192700000000, 0.0000000000000000, -0.0039034400000000 ] - [ -0.0026523300000000, 0.0000000000000000, -0.0014871300000000 ] - [ -0.0214397300000000, -0.0356679600000000, -0.0033354300000000 ] - [ -0.0214397300000000, 0.0356679600000000, -0.0033354300000000 ] - [ 0.0056476800000000, 0.0000000000000000, -0.0485816000000000 ] - [ 0.0075916400000000, 0.0000000000000000, 0.0034011000000000 ] - [ -0.0005861400000000, 0.0002958500000000, -0.0044467000000000 ] - [ -0.0005861400000000, -0.0002958500000000, -0.0044467000000000 ] - [ 0.0074048200000000, 0.0000000000000000, 0.0250561800000000 ] - [ 0.0036919000000000, 0.0000000000000000, 0.0090960400000000 ] - [ -0.0113900700000000, -0.0000985100000000, -0.0027207400000000 ] - [ -0.0113900700000000, 0.0000985100000000, -0.0027207400000000 ] - [ -0.0050588600000000, -0.0003954000000000, -0.0113305400000000 ] - [ -0.0050588600000000, 0.0003954000000000, -0.0113305400000000 ] - [ -0.0112758900000000, 0.0000000000000000, -0.0029372500000000 ] - [ -0.0073648700000000, 0.0000000000000000, -0.0027231100000000 ] - [ -0.0080241500000000, -0.0000040000000000, -0.0013286900000000 ] - [ -0.0080241500000000, 0.0000040000000000, -0.0013286900000000 ] - [ 0.0121499300000000, 0.0000000000000000, -0.0012980700000000 ] - [ 0.0087875900000000, 0.0000000000000000, -0.0045318500000000 ] - [ -0.0071904800000000, 0.0002706000000000, -0.0003450200000000 ] - [ -0.0071904800000000, -0.0002706000000000, -0.0003450200000000 ] - [ 0.0034274800000000, 0.0000000000000000, -0.0115085500000000 ] - [ -0.0004743500000000, 0.0000000000000000, -0.0043185700000000 ] - [ 0.0041988400000000, 0.0000000000000000, 0.0034828000000000 ] - [ 0.0040650900000000, 0.0000000000000000, 0.0032897800000000 ] - [ -0.0204656100000000, 0.0000000000000000, 0.0115593200000000 ] - [ -0.0019577700000000, 0.0000000000000000, 0.0085484300000000 ] - [ 0.0051881200000000, -0.0118783000000000, 0.0036728400000000 ] - [ 0.0051881200000000, 0.0118783000000000, 0.0036728400000000 ] - [ 0.0058458900000000, 0.0000113200000000, 0.0013720800000000 ] - [ 0.0058458900000000, -0.0000113200000000, 0.0013720800000000 ] - [ 0.0053064700000000, -0.0002773400000000, 0.0008438800000000 ] - [ 0.0053064700000000, 0.0002773400000000, 0.0008438800000000 ] - [ -0.0879471800000000, 0.0000000000000000, -0.0136240600000000 ] - [ -0.0148703000000000, 0.0000000000000000, -0.0025663500000000 ] - [ 0.0010249300000000, 0.0019706200000000, 0.0088636400000000 ] - [ 0.0010249300000000, -0.0019706200000000, 0.0088636400000000 ] - [ 0.0043807600000000, 0.0000000000000000, 0.0008601200000000 ] - [ 0.0043670300000000, 0.0000000000000000, 0.0008491500000000 ] - [ 0.0031883400000000, 0.0000000000000000, 0.0063418900000000 ] - [ -0.0013898300000000, 0.0000000000000000, 0.0010032200000000 ] - [ -0.0254664400000000, -0.0101852200000000, 0.0000475900000000 ] - [ -0.0254664400000000, 0.0101852200000000, 0.0000475900000000 ] - [ 0.0040045800000000, -0.0074391600000000, 0.0025383300000000 ] - [ 0.0040045800000000, 0.0074391600000000, 0.0025383300000000 ] - [ 0.0085943300000000, 0.0000000000000000, -0.0015921500000000 ] - [ -0.0028016100000000, 0.0000000000000000, -0.0007999400000000 ] - [ 0.0008189400000000, -0.0002928000000000, 0.0051943200000000 ] - [ 0.0008189400000000, 0.0002928000000000, 0.0051943200000000 ] - [ -0.0231727700000000, 0.0000000000000000, 0.0022340400000000 ] - [ -0.0077393500000000, 0.0000000000000000, -0.0041498300000000 ] - [ 0.0110190200000000, 0.0015099000000000, -0.0004195000000000 ] - [ 0.0110190200000000, -0.0015099000000000, -0.0004195000000000 ] - [ 0.0039383700000000, -0.0000088700000000, 0.0006186600000000 ] - [ 0.0039383700000000, 0.0000088700000000, 0.0006186600000000 ] - [ -0.0008452300000000, 0.0024264700000000, -0.0077419100000000 ] - [ -0.0008452300000000, -0.0024264700000000, -0.0077419100000000 ] - [ -0.0003536000000000, 0.0000000000000000, 0.0105985100000000 ] - [ -0.0011601900000000, 0.0000000000000000, 0.0004059500000000 ] - [ -0.0039117600000000, 0.0000000000000000, -0.0001217900000000 ] - [ -0.0043565000000000, 0.0000000000000000, -0.0001609300000000 ] - [ -0.0022953800000000, 0.0000000000000000, -0.0082385800000000 ] - [ -0.0012459500000000, 0.0000000000000000, -0.0052212800000000 ] - [ 0.0010969100000000, 0.0000041700000000, 0.0034084100000000 ] - [ 0.0010969100000000, -0.0000041700000000, 0.0034084100000000 ] - [ 0.0058603200000000, -0.0008928500000000, 0.0018109600000000 ] - [ 0.0058603200000000, 0.0008928500000000, 0.0018109600000000 ] - [ 0.0012611900000000, -0.0000644900000000, 0.0030100500000000 ] - [ 0.0012611900000000, 0.0000644900000000, 0.0030100500000000 ] - [ 0.0025675300000000, 0.0000000000000000, 0.0003898600000000 ] - [ 0.0025620000000000, 0.0000000000000000, 0.0003507500000000 ] - [ 0.0000287600000000, 0.0000000000000000, -0.0008960200000000 ] - [ 0.0000693800000000, 0.0000000000000000, -0.0004070300000000 ] - [ 0.0004944400000000, 0.0000000000000000, -0.0024072600000000 ] - [ 0.0002173300000000, 0.0000000000000000, -0.0009161300000000 ] - [ 0.0048787600000000, -0.0000176600000000, 0.0008082700000000 ] - [ 0.0048787600000000, 0.0000176600000000, 0.0008082700000000 ] - [ 0.0008878800000000, 0.0000000000000000, -0.0004111500000000 ] - [ 0.0003523800000000, 0.0000000000000000, -0.0003812400000000 ] - [ 0.0023912500000000, -0.0009613300000000, -0.0025395200000000 ] - [ 0.0023912500000000, 0.0009613300000000, -0.0025395200000000 ] - [ 0.0010146600000000, 0.0000424300000000, -0.0002543400000000 ] - [ 0.0010146600000000, -0.0000424300000000, -0.0002543400000000 ] - [ 0.0001811700000000, 0.0000000000000000, 0.0010592000000000 ] - [ -0.0007604900000000, 0.0000000000000000, 0.0009399900000000 ] - [ 0.0048828800000000, 0.0000000000000000, -0.0012703200000000 ] - [ 0.0048459400000000, 0.0000000000000000, -0.0012556000000000 ] - [ 0.0034582800000000, -0.0005909800000000, 0.0031099600000000 ] - [ 0.0034582800000000, 0.0005909800000000, 0.0031099600000000 ] - [ -0.0000738600000000, 0.0000000000000000, -0.0008781200000000 ] - [ 0.0001522200000000, 0.0000000000000000, 0.0002782400000000 ] - [ 0.0058803700000000, -0.0000391200000000, 0.0013817800000000 ] - [ 0.0058803700000000, 0.0000391200000000, 0.0013817800000000 ] - [ 0.0149834500000000, 0.0000000000000000, 0.0013925600000000 ] - [ 0.0059071200000000, 0.0000000000000000, -0.0003741100000000 ] - [ -0.0085264100000000, 0.0000000000000000, -0.0007464000000000 ] - [ -0.0063693800000000, 0.0000000000000000, -0.0005437100000000 ] - [ 0.0013668400000000, 0.0000000000000000, -0.0010937000000000 ] - [ 0.0012014300000000, 0.0000000000000000, -0.0015160300000000 ] - [ -0.0001289000000000, 0.0000377700000000, 0.0029380900000000 ] - [ -0.0001289000000000, -0.0000377700000000, 0.0029380900000000 ] - [ -0.0064199000000000, -0.0012865500000000, -0.0002787300000000 ] - [ -0.0064199000000000, 0.0012865500000000, -0.0002787300000000 ] - [ 0.0007713100000000, -0.0000074300000000, 0.0034514600000000 ] - [ 0.0007713100000000, 0.0000074300000000, 0.0034514600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007922500000000, -0.1537799700000000, -0.0006372500000000 ] - [ 0.0021837100000000, 0.1128049500000000, -0.0012362200000000 ] - [ -0.0034632600000000, -0.0003638200000000, -0.0001018500000000 ] - [ -0.0035043300000000, 0.0003385200000000, -0.0000850700000000 ] - [ -0.0018205500000000, -0.0000122000000000, -0.0000388600000000 ] - [ -0.0008655800000000, 0.0000045100000000, 0.0000131500000000 ] - [ 0.0025825700000000, 0.0000010400000000, -0.0009975600000000 ] - [ 0.0018401200000000, 0.0000043900000000, -0.0013519600000000 ] - [ -0.0025459000000000, 0.0000036900000000, 0.0007376700000000 ] - [ -0.0044656000000000, -0.0000023900000000, -0.0008175500000000 ] - [ -0.0013124700000000, -0.0005881800000000, -0.0000848100000000 ] - [ -0.0013185800000000, 0.0005889400000000, -0.0000783400000000 ] - [ -0.0002916700000000, -0.0021649900000000, -0.0018443600000000 ] - [ -0.0005575200000000, 0.0011666900000000, -0.0018437900000000 ] - [ -0.0032761800000000, -0.0000703400000000, -0.0008102000000000 ] - [ -0.0032833200000000, 0.0000679800000000, -0.0008134400000000 ] - [ 0.0495243400000000, 0.0019796100000000, -0.0066018800000000 ] - [ -0.0512011200000000, 0.0019146400000000, 0.0022217200000000 ] - [ -0.0039989000000000, -0.0074121200000000, 0.0020286500000000 ] - [ -0.0039970700000000, 0.0040503000000000, 0.0018265300000000 ] - [ 0.0038270400000000, 0.0000013300000000, -0.0002710900000000 ] - [ 0.0034005300000000, 0.0000023700000000, -0.0002801100000000 ] - [ -0.0008625700000000, -0.0070091600000000, 0.0026423500000000 ] - [ -0.0008670500000000, 0.0069503500000000, 0.0026345900000000 ] - [ 0.0041018400000000, -0.0000283400000000, -0.0022585100000000 ] - [ -0.0050287000000000, -0.0000216400000000, -0.0014101800000000 ] - [ -0.0033530200000000, 0.0000566000000000, 0.0054780400000000 ] - [ -0.0032948500000000, 0.0000828700000000, -0.0069606000000000 ] - [ -0.0011508700000000, -0.0000973700000000, -0.0022024800000000 ] - [ -0.0011622500000000, 0.0000878500000000, -0.0022044300000000 ] - [ -0.0038581000000000, 0.0000100800000000, 0.0020481100000000 ] - [ -0.0039500500000000, 0.0000159700000000, 0.0016703400000000 ] - [ 0.0035755200000000, -0.0031033700000000, -0.0006401500000000 ] - [ 0.0036087600000000, 0.0011943400000000, -0.0002610900000000 ] - [ -0.0008122800000000, 0.0000036800000000, 0.0028796200000000 ] - [ -0.0009419000000000, 0.0000051700000000, 0.0025344100000000 ] - [ -0.0001317100000000, 0.0005978200000000, 0.0004016900000000 ] - [ -0.0001169100000000, -0.0003293800000000, 0.0003884100000000 ] - [ 0.0050077900000000, 0.0019315000000000, 0.0014541900000000 ] - [ 0.0049899000000000, -0.0020448800000000, 0.0014433900000000 ] - [ 0.0007244700000000, 0.0144941800000000, 0.0005760100000000 ] - [ 0.0006437200000000, -0.0096862100000000, 0.0008318600000000 ] - [ 0.0005909400000000, 0.0003704300000000, 0.0010638500000000 ] - [ 0.0006141700000000, 0.0002598000000000, 0.0007309700000000 ] - [ 0.0007735900000000, -0.0000027300000000, -0.0006954200000000 ] - [ 0.0033660400000000, -0.0000034600000000, 0.0009369800000000 ] - [ 0.0002344200000000, -0.0000027100000000, -0.0000472700000000 ] - [ 0.0000086600000000, -0.0000041600000000, 0.0000086300000000 ] - [ -0.0006446600000000, 0.0163899900000000, 0.0000157400000000 ] - [ -0.0006475300000000, -0.0052417700000000, 0.0000471800000000 ] - [ -0.0040647700000000, -0.0001692700000000, -0.0077180900000000 ] - [ 0.0038825300000000, -0.0001800400000000, 0.0074300700000000 ] - [ 0.0032492000000000, 0.0005997700000000, -0.0001541500000000 ] - [ 0.0032494200000000, -0.0006051900000000, -0.0001546000000000 ] - [ -0.0003731600000000, 0.0003772800000000, 0.0001091400000000 ] - [ -0.0003579900000000, -0.0003924900000000, 0.0001262400000000 ] - [ -0.0061657400000000, 0.0108675800000000, -0.0030767800000000 ] - [ 0.0008961900000000, 0.0062363800000000, 0.0039191800000000 ] - [ 0.0045410900000000, 0.0000940100000000, -0.0008534900000000 ] - [ 0.0033862100000000, 0.0000263000000000, -0.0019596200000000 ] - [ 0.0013421400000000, 0.0226907300000000, 0.0023090700000000 ] - [ 0.0015056300000000, -0.0167405400000000, 0.0022714200000000 ] - [ 0.0002560200000000, -0.0000003000000000, 0.0006245800000000 ] - [ 0.0001606200000000, -0.0000021300000000, 0.0004692400000000 ] - [ 0.0015550300000000, 0.0077556100000000, 0.0005012700000000 ] - [ 0.0015267800000000, -0.0061767500000000, 0.0003705000000000 ] - [ -0.0126993200000000, 0.0002287600000000, 0.0026023800000000 ] - [ 0.0129996200000000, 0.0002307300000000, -0.0024244600000000 ] - [ -0.0007772400000000, -0.0000009100000000, -0.0002034400000000 ] - [ -0.0002232900000000, -0.0000013800000000, -0.0000643800000000 ] - [ -0.0021836300000000, -0.0001365500000000, 0.0027716100000000 ] - [ 0.0023131800000000, -0.0001454000000000, -0.0073826400000000 ] - [ -0.0002982000000000, 0.0001738500000000, -0.0012271000000000 ] - [ -0.0002972800000000, -0.0000548400000000, -0.0011993900000000 ] - [ -0.0050336800000000, 0.0001401600000000, -0.0007262000000000 ] - [ -0.0050329400000000, -0.0001407600000000, -0.0007262800000000 ] - [ -0.0002032600000000, 0.0001340500000000, 0.0002356600000000 ] - [ -0.0002001000000000, -0.0001384800000000, 0.0002203000000000 ] - [ -0.0005041000000000, -0.0000023900000000, -0.0006741400000000 ] - [ 0.0002545400000000, -0.0000028200000000, 0.0014029500000000 ] - [ 0.0049345300000000, -0.0000004500000000, 0.0014669100000000 ] - [ 0.0050160500000000, -0.0000033300000000, 0.0014419000000000 ] - [ 0.0005856700000000, -0.0000015100000000, 0.0007393000000000 ] - [ 0.0006625200000000, -0.0000025700000000, 0.0009385000000000 ] - [ 0.0006127100000000, 0.0020565900000000, 0.0009196600000000 ] - [ 0.0006103900000000, -0.0021027900000000, 0.0009147800000000 ] - [ 0.0020476200000000, 0.0000016300000000, 0.0001358500000000 ] - [ 0.0020624000000000, -0.0000200400000000, 0.0001336100000000 ] - [ 0.0000811000000000, 0.0007880500000000, -0.0000061700000000 ] - [ 0.0001050700000000, -0.0008651400000000, -0.0000091000000000 ] - [ -0.0016053600000000, 0.0000013500000000, 0.0003652400000000 ] - [ 0.0002085000000000, 0.0000006200000000, -0.0002569600000000 ] - [ -0.0000727900000000, 0.0000253500000000, -0.0000642900000000 ] - [ -0.0000708900000000, -0.0000100500000000, -0.0000631800000000 ] - [ 0.0033217700000000, 0.0000340600000000, -0.0002008100000000 ] - [ 0.0031650000000000, -0.0000313700000000, -0.0000820100000000 ] - [ -0.0005823300000000, 0.0000108200000000, 0.0004628000000000 ] - [ -0.0001721200000000, -0.0000091300000000, -0.0001817300000000 ] - [ -0.0030693800000000, 0.0001786900000000, 0.0005684600000000 ] - [ -0.0030667800000000, -0.0001853100000000, 0.0005687800000000 ] - [ 0.0039494500000000, 0.0003424900000000, -0.0013915300000000 ] - [ 0.0039432600000000, -0.0003624100000000, -0.0013919200000000 ] - [ 0.0014754800000000, 0.0000023600000000, 0.0022291500000000 ] - [ 0.0015565300000000, -0.0000010700000000, 0.0022856800000000 ] - [ 0.0002152800000000, 0.0002763400000000, 0.0006285300000000 ] - [ 0.0002045000000000, -0.0001108300000000, 0.0006183900000000 ] - [ 0.0013047300000000, -0.0000041500000000, 0.0003016200000000 ] - [ 0.0016517200000000, -0.0000044500000000, 0.0003496500000000 ] - [ 0.0001943300000000, 0.0001549400000000, 0.0000713400000000 ] - [ 0.0002252700000000, -0.0000284800000000, 0.0000793800000000 ] - [ -0.0005402300000000, 0.0004441300000000, -0.0001044300000000 ] - [ -0.0004953600000000, 0.0000030100000000, -0.0001299000000000 ] - [ 0.0000862300000000, 0.0001546100000000, -0.0023514700000000 ] - [ 0.0000867100000000, -0.0001526300000000, -0.0023504400000000 ] - [ -0.0002143700000000, -0.0000115700000000, -0.0022446700000000 ] - [ -0.0003812900000000, -0.0000142800000000, -0.0001933800000000 ] - [ -0.0042428700000000, 0.0007539500000000, -0.0007690700000000 ] - [ -0.0057571500000000, 0.0006180000000000, -0.0006346400000000 ] - [ -0.0003005200000000, -0.0000000900000000, -0.0000733100000000 ] - [ -0.0001048100000000, -0.0000007000000000, 0.0004210700000000 ]- atom: 1 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0922193800000000, 0.0000000000000000, -0.2432816300000000 ] - [ 0.0078184400000000, 0.0000000000000000, -0.0125127500000000 ] - [ -0.0217910600000000, 0.0000000000000000, 0.0054988300000000 ] - [ -0.0090937900000000, 0.0000000000000000, 0.0025201400000000 ] - [ 0.0019884900000000, -0.0003329000000000, -0.0012958400000000 ] - [ 0.0019884900000000, 0.0003329000000000, -0.0012958400000000 ] - [ 0.0021061100000000, 0.0000338400000000, -0.0003804400000000 ] - [ 0.0021061100000000, -0.0000338400000000, -0.0003804400000000 ] - [ -0.0013638700000000, 0.0000229600000000, -0.0005732000000000 ] - [ -0.0013638700000000, -0.0000229600000000, -0.0005732000000000 ] - [ -0.0083057400000000, 0.0000000000000000, 0.0122153800000000 ] - [ -0.0061905400000000, 0.0000000000000000, 0.0064962200000000 ] - [ -0.0135233700000000, 0.0000000000000000, -0.0084891300000000 ] - [ 0.0010652400000000, 0.0000000000000000, -0.0055339000000000 ] - [ -0.0049916700000000, 0.0000000000000000, 0.0075638500000000 ] - [ -0.0048213800000000, 0.0000000000000000, 0.0027720200000000 ] - [ -0.0152408800000000, -0.0186296500000000, -0.0152428400000000 ] - [ -0.0152408800000000, 0.0186296500000000, -0.0152428400000000 ] - [ 0.0415933100000000, 0.0000000000000000, 0.0079946400000000 ] - [ 0.0003423500000000, 0.0000000000000000, 0.0031185900000000 ] - [ 0.0046344100000000, -0.0002079400000000, 0.0008970500000000 ] - [ 0.0046344100000000, 0.0002079400000000, 0.0008970500000000 ] - [ -0.0270282700000000, 0.0000000000000000, 0.0201812200000000 ] - [ -0.0064050900000000, 0.0000000000000000, 0.0075108400000000 ] - [ -0.0054910500000000, 0.0001653900000000, -0.0010012000000000 ] - [ -0.0054910500000000, -0.0001653900000000, -0.0010012000000000 ] - [ 0.0063542500000000, 0.0035342800000000, -0.0055310100000000 ] - [ 0.0063542500000000, -0.0035342800000000, -0.0055310100000000 ] - [ -0.0024560500000000, 0.0000000000000000, -0.0014890400000000 ] - [ -0.0018773900000000, 0.0000000000000000, -0.0016728600000000 ] - [ -0.0027235400000000, 0.0002778100000000, 0.0052362500000000 ] - [ -0.0027235400000000, -0.0002778100000000, 0.0052362500000000 ] - [ 0.0084233300000000, 0.0000000000000000, 0.0885458100000000 ] - [ -0.0004940600000000, 0.0000000000000000, -0.0054887500000000 ] - [ 0.0008572500000000, 0.0000078100000000, 0.0029657800000000 ] - [ 0.0008572500000000, -0.0000078100000000, 0.0029657800000000 ] - [ 0.0033045200000000, 0.0000000000000000, 0.0038481400000000 ] - [ 0.0006086900000000, 0.0000000000000000, 0.0022290800000000 ] - [ -0.0022572500000000, 0.0000000000000000, -0.0004152500000000 ] - [ 0.0028626800000000, 0.0000000000000000, 0.0024734900000000 ] - [ -0.0164385100000000, 0.0000000000000000, 0.1410754300000000 ] - [ -0.0014640300000000, 0.0000000000000000, 0.0196914100000000 ] - [ 0.0011676200000000, -0.0022959100000000, 0.0026912000000000 ] - [ 0.0011676200000000, 0.0022959100000000, 0.0026912000000000 ] - [ -0.0013151700000000, -0.0000934900000000, 0.0010457900000000 ] - [ -0.0013151700000000, 0.0000934900000000, 0.0010457900000000 ] - [ -0.0019108800000000, 0.0000348300000000, 0.0002117400000000 ] - [ -0.0019108800000000, -0.0000348300000000, 0.0002117400000000 ] - [ -0.0352368000000000, 0.0000000000000000, 0.0194036900000000 ] - [ -0.0058174200000000, 0.0000000000000000, 0.0017898300000000 ] - [ -0.0008577900000000, -0.0004825200000000, 0.0118251900000000 ] - [ -0.0008577900000000, 0.0004825200000000, 0.0118251900000000 ] - [ 0.0027793100000000, 0.0000000000000000, -0.0000345100000000 ] - [ 0.0027847200000000, 0.0000000000000000, -0.0000351600000000 ] - [ -0.0039528700000000, 0.0000000000000000, 0.0036153700000000 ] - [ -0.0020166600000000, 0.0000000000000000, 0.0010853600000000 ] - [ -0.0124990900000000, -0.0051265300000000, 0.0142902000000000 ] - [ -0.0124990900000000, 0.0051265300000000, 0.0142902000000000 ] - [ 0.0005037100000000, 0.0037763400000000, -0.0001937400000000 ] - [ 0.0005037100000000, -0.0037763400000000, -0.0001937400000000 ] - [ 0.0033105500000000, 0.0000000000000000, 0.0142248500000000 ] - [ 0.0003645500000000, 0.0000000000000000, 0.0016204700000000 ] - [ -0.0003158300000000, 0.0000576700000000, 0.0000280800000000 ] - [ -0.0003158300000000, -0.0000576700000000, 0.0000280800000000 ] - [ -0.0144861100000000, 0.0000000000000000, -0.0186375000000000 ] - [ 0.0005548800000000, 0.0000000000000000, -0.0008880100000000 ] - [ 0.0067238800000000, 0.0009709500000000, 0.0001163200000000 ] - [ 0.0067238800000000, -0.0009709500000000, 0.0001163200000000 ] - [ -0.0015313400000000, 0.0000020900000000, -0.0002135700000000 ] - [ -0.0015313400000000, -0.0000020900000000, -0.0002135700000000 ] - [ 0.0030942700000000, 0.0041411000000000, -0.0040258400000000 ] - [ 0.0030942700000000, -0.0041411000000000, -0.0040258400000000 ] - [ -0.0018914800000000, 0.0000000000000000, -0.0099940300000000 ] - [ -0.0004803800000000, 0.0000000000000000, -0.0046648700000000 ] - [ -0.0053580400000000, 0.0000000000000000, -0.0011874500000000 ] - [ -0.0051024500000000, 0.0000000000000000, -0.0009853200000000 ] - [ 0.0020669500000000, 0.0000000000000000, -0.0093109900000000 ] - [ 0.0003271500000000, 0.0000000000000000, -0.0042068600000000 ] - [ 0.0000872000000000, -0.0000242800000000, 0.0012390300000000 ] - [ 0.0000872000000000, 0.0000242800000000, 0.0012390300000000 ] - [ 0.0047453500000000, 0.0005713700000000, 0.0007590200000000 ] - [ 0.0047453500000000, -0.0005713700000000, 0.0007590200000000 ] - [ 0.0005654800000000, 0.0000180500000000, 0.0000734900000000 ] - [ 0.0005654800000000, -0.0000180500000000, 0.0000734900000000 ] - [ 0.0014523600000000, 0.0000000000000000, -0.0008136700000000 ] - [ 0.0015806700000000, 0.0000000000000000, -0.0002509400000000 ] - [ 0.0076122800000000, 0.0000000000000000, -0.0013784900000000 ] - [ 0.0051410700000000, 0.0000000000000000, -0.0004752300000000 ] - [ 0.0129772500000000, 0.0000000000000000, -0.0007512400000000 ] - [ 0.0072559000000000, 0.0000000000000000, -0.0007019400000000 ] - [ 0.0001757800000000, -0.0000250200000000, -0.0010022000000000 ] - [ 0.0001757800000000, 0.0000250200000000, -0.0010022000000000 ] - [ 0.0000100100000000, 0.0000000000000000, -0.0016377300000000 ] - [ -0.0000180600000000, 0.0000000000000000, -0.0011568200000000 ] - [ 0.0055420500000000, -0.0018315500000000, -0.0012027500000000 ] - [ 0.0055420500000000, 0.0018315500000000, -0.0012027500000000 ] - [ -0.0001342300000000, -0.0006332200000000, -0.0013186700000000 ] - [ -0.0001342300000000, 0.0006332200000000, -0.0013186700000000 ] - [ -0.0028866200000000, 0.0000000000000000, 0.0003964000000000 ] - [ -0.0029774300000000, 0.0000000000000000, 0.0004106400000000 ] - [ 0.0037493200000000, 0.0000000000000000, -0.0021837200000000 ] - [ 0.0040377600000000, 0.0000000000000000, -0.0020003000000000 ] - [ 0.0015334200000000, -0.0000334200000000, 0.0022198300000000 ] - [ 0.0015334200000000, 0.0000334200000000, 0.0022198300000000 ] - [ -0.0009670500000000, 0.0000000000000000, -0.0208056300000000 ] - [ 0.0009142900000000, 0.0000000000000000, -0.0072353400000000 ] - [ 0.0002905300000000, -0.0000061800000000, -0.0001495300000000 ] - [ 0.0002905300000000, 0.0000061800000000, -0.0001495300000000 ] - [ 0.0020998500000000, 0.0000000000000000, 0.0001196500000000 ] - [ 0.0011822500000000, 0.0000000000000000, 0.0000966400000000 ] - [ 0.0192411400000000, 0.0000000000000000, -0.0072398900000000 ] - [ 0.0028394000000000, 0.0000000000000000, -0.0002150300000000 ] - [ -0.0001671700000000, 0.0000000000000000, -0.0023531800000000 ] - [ -0.0001615500000000, 0.0000000000000000, -0.0023475400000000 ] - [ -0.0011202700000000, -0.0003469100000000, -0.0034298200000000 ] - [ -0.0011202700000000, 0.0003469100000000, -0.0034298200000000 ] - [ -0.0113058300000000, -0.0171505100000000, -0.0059123800000000 ] - [ -0.0113058300000000, 0.0171505100000000, -0.0059123800000000 ] - [ -0.0004906700000000, -0.0000024400000000, -0.0001875800000000 ] - [ -0.0004906700000000, 0.0000024400000000, -0.0001875800000000 ]- atom: 1 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ -0.0883426600000000, 0.0000000000000000, 0.2305559800000000 ] - [ -0.0034243700000000, 0.0000000000000000, 0.0101404100000000 ] - [ 0.0148063400000000, 0.0000000000000000, -0.0056509000000000 ] - [ 0.0020754200000000, 0.0000000000000000, -0.0026661100000000 ] - [ -0.0046914800000000, 0.0003299900000000, 0.0012513400000000 ] - [ -0.0046914800000000, -0.0003299900000000, 0.0012513400000000 ] - [ 0.0022918300000000, -0.0000366700000000, -0.0019784000000000 ] - [ 0.0022918300000000, 0.0000366700000000, -0.0019784000000000 ] - [ -0.0056613400000000, -0.0000198800000000, 0.0004675800000000 ] - [ -0.0056613400000000, 0.0000198800000000, 0.0004675800000000 ] - [ 0.0056773500000000, 0.0000000000000000, -0.0123137500000000 ] - [ 0.0035371900000000, 0.0000000000000000, -0.0065959800000000 ] - [ 0.0127543300000000, 0.0000000000000000, 0.0046818000000000 ] - [ -0.0020996800000000, 0.0000000000000000, 0.0018388500000000 ] - [ -0.0015829800000000, 0.0000000000000000, -0.0092096200000000 ] - [ -0.0017511200000000, 0.0000000000000000, -0.0043913300000000 ] - [ 0.0128248400000000, 0.0187623700000000, 0.0109349400000000 ] - [ 0.0128248400000000, -0.0187623700000000, 0.0109349400000000 ] - [ -0.0500102000000000, 0.0000000000000000, -0.0040749400000000 ] - [ -0.0082117900000000, 0.0000000000000000, 0.0006424800000000 ] - [ 0.0025746600000000, 0.0002093900000000, -0.0014658700000000 ] - [ 0.0025746600000000, -0.0002093900000000, -0.0014658700000000 ] - [ 0.0255298300000000, 0.0000000000000000, -0.0149779500000000 ] - [ 0.0046434700000000, 0.0000000000000000, -0.0021469700000000 ] - [ 0.0044712600000000, -0.0001667000000000, -0.0026634200000000 ] - [ 0.0044712600000000, 0.0001667000000000, -0.0026634200000000 ] - [ -0.0129295400000000, -0.0035230100000000, 0.0039704900000000 ] - [ -0.0129295400000000, 0.0035230100000000, 0.0039704900000000 ] - [ 0.0001290300000000, 0.0000000000000000, -0.0029220300000000 ] - [ -0.0004720600000000, 0.0000000000000000, -0.0027389300000000 ] - [ -0.0050911500000000, -0.0002808300000000, -0.0015014200000000 ] - [ -0.0050911500000000, 0.0002808300000000, -0.0015014200000000 ] - [ -0.0011021800000000, 0.0000000000000000, -0.0888406300000000 ] - [ 0.0077156000000000, 0.0000000000000000, 0.0049182900000000 ] - [ -0.0026306300000000, -0.0000085400000000, 0.0024397000000000 ] - [ -0.0026306300000000, 0.0000085400000000, 0.0024397000000000 ] - [ -0.0035049300000000, 0.0000000000000000, -0.0029924700000000 ] - [ -0.0008443000000000, 0.0000000000000000, -0.0014448200000000 ] - [ 0.0122137000000000, 0.0000000000000000, 0.0033031100000000 ] - [ 0.0071017400000000, 0.0000000000000000, 0.0004272400000000 ] - [ 0.0181021100000000, 0.0000000000000000, -0.1289578300000000 ] - [ 0.0026999100000000, 0.0000000000000000, -0.0179314300000000 ] - [ 0.0000544400000000, 0.0023526700000000, -0.0008853200000000 ] - [ 0.0000544400000000, -0.0023526700000000, -0.0008853200000000 ] - [ 0.0054477500000000, 0.0000945200000000, -0.0007898500000000 ] - [ 0.0054477500000000, -0.0000945200000000, -0.0007898500000000 ] - [ 0.0021723300000000, -0.0000344600000000, -0.0002473400000000 ] - [ 0.0021723300000000, 0.0000344600000000, -0.0002473400000000 ] - [ 0.0333413000000000, 0.0000000000000000, -0.0194921200000000 ] - [ 0.0044374100000000, 0.0000000000000000, -0.0017084600000000 ] - [ 0.0007197400000000, 0.0004566500000000, -0.0119865300000000 ] - [ 0.0007197400000000, -0.0004566500000000, -0.0119865300000000 ] - [ 0.0037166500000000, 0.0000000000000000, -0.0002671900000000 ] - [ 0.0037115500000000, 0.0000000000000000, -0.0002669100000000 ] - [ 0.0032232900000000, 0.0000000000000000, -0.0034123600000000 ] - [ 0.0012907500000000, 0.0000000000000000, -0.0008300400000000 ] - [ 0.0062716200000000, 0.0049254600000000, -0.0128694800000000 ] - [ 0.0062716200000000, -0.0049254600000000, -0.0128694800000000 ] - [ 0.0074281600000000, -0.0038142300000000, -0.0026222200000000 ] - [ 0.0074281600000000, 0.0038142300000000, -0.0026222200000000 ] - [ 0.0003745200000000, 0.0000000000000000, -0.0098965400000000 ] - [ 0.0027152500000000, 0.0000000000000000, 0.0028670900000000 ] - [ 0.0007362200000000, -0.0000572700000000, 0.0010820000000000 ] - [ 0.0007362200000000, 0.0000572700000000, 0.0010820000000000 ] - [ 0.0178443200000000, 0.0000000000000000, 0.0188339600000000 ] - [ 0.0024463500000000, 0.0000000000000000, 0.0015344400000000 ] - [ -0.0062255300000000, -0.0009695400000000, 0.0000366600000000 ] - [ -0.0062255300000000, 0.0009695400000000, 0.0000366600000000 ] - [ 0.0005461400000000, -0.0000013000000000, -0.0000505800000000 ] - [ 0.0005461400000000, 0.0000013000000000, -0.0000505800000000 ] - [ -0.0029441100000000, -0.0041977000000000, -0.0006639600000000 ] - [ -0.0029441100000000, 0.0041977000000000, -0.0006639600000000 ] - [ 0.0013110700000000, 0.0000000000000000, 0.0075629100000000 ] - [ -0.0001166100000000, 0.0000000000000000, 0.0022412500000000 ] - [ -0.0047021900000000, 0.0000000000000000, -0.0002612300000000 ] - [ -0.0049597000000000, 0.0000000000000000, -0.0004651300000000 ] - [ -0.0024700500000000, 0.0000000000000000, 0.0097493100000000 ] - [ -0.0007317800000000, 0.0000000000000000, 0.0046036800000000 ] - [ -0.0003297700000000, 0.0000247000000000, -0.0004858400000000 ] - [ -0.0003297700000000, -0.0000247000000000, -0.0004858400000000 ] - [ 0.0052111400000000, -0.0005744000000000, 0.0021521800000000 ] - [ 0.0052111400000000, 0.0005744000000000, 0.0021521800000000 ] - [ 0.0006854200000000, -0.0000173000000000, 0.0016151700000000 ] - [ 0.0006854200000000, 0.0000173000000000, 0.0016151700000000 ] - [ -0.0002151300000000, 0.0000000000000000, 0.0026370900000000 ] - [ -0.0003433100000000, 0.0000000000000000, 0.0020723800000000 ] - [ -0.0034980500000000, 0.0000000000000000, 0.0016449000000000 ] - [ -0.0010086100000000, 0.0000000000000000, 0.0007382000000000 ] - [ -0.0128152500000000, 0.0000000000000000, 0.0007106100000000 ] - [ -0.0070318000000000, 0.0000000000000000, 0.0006729500000000 ] - [ -0.0015375500000000, 0.0000250900000000, 0.0011024000000000 ] - [ -0.0015375500000000, -0.0000250900000000, 0.0011024000000000 ] - [ -0.0001504700000000, 0.0000000000000000, 0.0015205800000000 ] - [ -0.0001213900000000, 0.0000000000000000, 0.0010335000000000 ] - [ 0.0009548000000000, 0.0018745000000000, 0.0009129500000000 ] - [ 0.0009548000000000, -0.0018745000000000, 0.0009129500000000 ] - [ -0.0006140600000000, 0.0006407300000000, 0.0015846100000000 ] - [ -0.0006140600000000, -0.0006407300000000, 0.0015846100000000 ] - [ -0.0032391600000000, 0.0000000000000000, 0.0007388300000000 ] - [ -0.0031436300000000, 0.0000000000000000, 0.0007253800000000 ] - [ 0.0041439800000000, 0.0000000000000000, -0.0006050500000000 ] - [ 0.0038548600000000, 0.0000000000000000, -0.0007873900000000 ] - [ 0.0015050700000000, 0.0000370400000000, 0.0022961500000000 ] - [ 0.0015050700000000, -0.0000370400000000, 0.0022961500000000 ] - [ 0.0013831900000000, 0.0000000000000000, 0.0219765100000000 ] - [ -0.0005004600000000, 0.0000000000000000, 0.0084162800000000 ] - [ 0.0026762700000000, 0.0000063200000000, 0.0007986400000000 ] - [ 0.0026762700000000, -0.0000063200000000, 0.0007986400000000 ] - [ -0.0016944800000000, 0.0000000000000000, 0.0000195000000000 ] - [ -0.0007109400000000, 0.0000000000000000, 0.0000602900000000 ] - [ -0.0203715200000000, 0.0000000000000000, 0.0069356800000000 ] - [ -0.0038422200000000, 0.0000000000000000, -0.0000446500000000 ] - [ 0.0003425800000000, 0.0000000000000000, -0.0023475000000000 ] - [ 0.0003374200000000, 0.0000000000000000, -0.0023516800000000 ] - [ 0.0005194500000000, 0.0003456500000000, 0.0009914400000000 ] - [ 0.0005194500000000, -0.0003456500000000, 0.0009914400000000 ] - [ 0.0012554100000000, 0.0171965300000000, 0.0044201300000000 ] - [ 0.0012554100000000, -0.0171965300000000, 0.0044201300000000 ] - [ 0.0000848800000000, 0.0000031900000000, 0.0005481000000000 ] - [ 0.0000848800000000, -0.0000031900000000, 0.0005481000000000 ]- atom: 3 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0029768500000000, 0.0000000000000000, -0.0254274400000000 ] - [ -0.0025032400000000, 0.0000000000000000, -0.0103731800000000 ] - [ -0.2072636100000000, 0.0000000000000000, -0.0095860300000000 ] - [ -0.0216947700000000, 0.0000000000000000, -0.0031451500000000 ] - [ 0.0006524300000000, -0.0005514800000000, -0.0034231200000000 ] - [ 0.0006524300000000, 0.0005514800000000, -0.0034231200000000 ] - [ 0.0077711900000000, -0.0009540200000000, 0.0045396100000000 ] - [ 0.0077711900000000, 0.0009540200000000, 0.0045396100000000 ] - [ 0.0052519700000000, -0.0000008000000000, 0.0032681300000000 ] - [ 0.0052519700000000, 0.0000008000000000, 0.0032681300000000 ] - [ -0.0056047400000000, 0.0000000000000000, 0.0191653900000000 ] - [ -0.0030186200000000, 0.0000000000000000, 0.0057516500000000 ] - [ -0.0134882500000000, 0.0000000000000000, -0.0084450200000000 ] - [ -0.0071464000000000, 0.0000000000000000, -0.0039241500000000 ] - [ 0.0808915100000000, 0.0000000000000000, -0.0099775600000000 ] - [ -0.0057062300000000, 0.0000000000000000, -0.0017127800000000 ] - [ 0.0012348800000000, 0.0005474600000000, -0.0063565900000000 ] - [ 0.0012348800000000, -0.0005474600000000, -0.0063565900000000 ] - [ -0.0078561600000000, 0.0000000000000000, -0.0242961200000000 ] - [ -0.0084455900000000, 0.0000000000000000, -0.0086485300000000 ] - [ 0.0150878700000000, -0.0040139600000000, 0.0003160800000000 ] - [ 0.0150878700000000, 0.0040139600000000, 0.0003160800000000 ] - [ -0.0150444500000000, 0.0000000000000000, -0.0053294300000000 ] - [ -0.0081671400000000, 0.0000000000000000, -0.0000236100000000 ] - [ 0.0041121900000000, 0.0005873000000000, 0.0014040400000000 ] - [ 0.0041121900000000, -0.0005873000000000, 0.0014040400000000 ] - [ 0.0084838200000000, 0.0036630000000000, -0.0001019200000000 ] - [ 0.0084838200000000, -0.0036630000000000, -0.0001019200000000 ] - [ -0.0020731000000000, 0.0000000000000000, 0.0162163900000000 ] - [ -0.0014804100000000, 0.0000000000000000, 0.0041094200000000 ] - [ 0.0026797000000000, 0.0009595500000000, 0.0084688200000000 ] - [ 0.0026797000000000, -0.0009595500000000, 0.0084688200000000 ] - [ 0.0937468600000000, 0.0000000000000000, -0.0056907300000000 ] - [ -0.0000003100000000, 0.0000000000000000, -0.0009247000000000 ] - [ 0.0039808600000000, -0.0005708700000000, 0.0057907300000000 ] - [ 0.0039808600000000, 0.0005708700000000, 0.0057907300000000 ] - [ 0.0113725700000000, 0.0000000000000000, 0.0040901700000000 ] - [ 0.0018820100000000, 0.0000000000000000, 0.0022287300000000 ] - [ -0.0057238800000000, 0.0000000000000000, 0.0012307100000000 ] - [ 0.0027746500000000, 0.0000000000000000, 0.0013968100000000 ] - [ -0.0034574600000000, 0.0000000000000000, 0.0315048400000000 ] - [ 0.0008846400000000, 0.0000000000000000, 0.0086022700000000 ] - [ 0.0019667100000000, -0.0006589100000000, 0.0021982700000000 ] - [ 0.0019667100000000, 0.0006589100000000, 0.0021982700000000 ] - [ -0.0056721700000000, -0.0002311200000000, 0.0003198300000000 ] - [ -0.0056721700000000, 0.0002311200000000, 0.0003198300000000 ] - [ -0.0026850700000000, 0.0001166400000000, -0.0001689200000000 ] - [ -0.0026850700000000, -0.0001166400000000, -0.0001689200000000 ] - [ 0.0082666700000000, 0.0000000000000000, 0.0069334400000000 ] - [ 0.0049279200000000, 0.0000000000000000, 0.0037712300000000 ] - [ -0.0011739300000000, -0.0003756600000000, 0.0028244400000000 ] - [ -0.0011739300000000, 0.0003756600000000, 0.0028244400000000 ] - [ 0.0014040200000000, 0.0000000000000000, -0.0009128600000000 ] - [ 0.0014401200000000, 0.0000000000000000, -0.0008870500000000 ] - [ -0.0008648500000000, 0.0000000000000000, 0.0023262000000000 ] - [ -0.0000012800000000, 0.0000000000000000, 0.0012937400000000 ] - [ -0.0036416800000000, -0.0025041600000000, 0.0028251300000000 ] - [ -0.0036416800000000, 0.0025041600000000, 0.0028251300000000 ] - [ 0.0036405500000000, 0.0022522300000000, 0.0005821200000000 ] - [ 0.0036405500000000, -0.0022522300000000, 0.0005821200000000 ] - [ 0.0010265100000000, 0.0000000000000000, 0.0046251100000000 ] - [ 0.0017162600000000, 0.0000000000000000, 0.0034915900000000 ] - [ -0.0009988300000000, 0.0004028900000000, 0.0035602900000000 ] - [ -0.0009988300000000, -0.0004028900000000, 0.0035602900000000 ] - [ 0.0103493700000000, 0.0000000000000000, 0.0057013700000000 ] - [ 0.0071273500000000, 0.0000000000000000, 0.0033042600000000 ] - [ -0.0022858000000000, -0.0001024000000000, 0.0001485700000000 ] - [ -0.0022858000000000, 0.0001024000000000, 0.0001485700000000 ] - [ -0.0084252100000000, 0.0002349700000000, -0.0003555500000000 ] - [ -0.0084252100000000, -0.0002349700000000, -0.0003555500000000 ] - [ 0.0014107000000000, 0.0006875700000000, -0.0007277300000000 ] - [ 0.0014107000000000, -0.0006875700000000, -0.0007277300000000 ] - [ -0.0040716900000000, 0.0000000000000000, 0.0300979100000000 ] - [ -0.0001939300000000, 0.0000000000000000, 0.0074365300000000 ] - [ -0.0170049000000000, 0.0000000000000000, -0.0009519400000000 ] - [ -0.0073671900000000, 0.0000000000000000, -0.0007499200000000 ] - [ 0.0105840100000000, 0.0000000000000000, 0.0034180900000000 ] - [ 0.0018979700000000, 0.0000000000000000, 0.0027221800000000 ] - [ -0.0010940300000000, -0.0000447700000000, -0.0022099200000000 ] - [ -0.0010940300000000, 0.0000447700000000, -0.0022099200000000 ] - [ -0.0008646500000000, 0.0155853400000000, 0.0007505800000000 ] - [ -0.0008646500000000, -0.0155853400000000, 0.0007505800000000 ] - [ -0.0006696700000000, 0.0004052700000000, -0.0034369400000000 ] - [ -0.0006696700000000, -0.0004052700000000, -0.0034369400000000 ] - [ -0.0003898900000000, 0.0000000000000000, -0.0017374500000000 ] - [ -0.0001474400000000, 0.0000000000000000, -0.0004182700000000 ] - [ 0.0156815000000000, 0.0000000000000000, 0.0100872700000000 ] - [ 0.0088354100000000, 0.0000000000000000, 0.0001205000000000 ] - [ 0.0120337700000000, 0.0000000000000000, -0.0005282400000000 ] - [ 0.0051823400000000, 0.0000000000000000, -0.0002249700000000 ] - [ -0.0058569400000000, -0.0000570400000000, -0.0024345300000000 ] - [ -0.0058569400000000, 0.0000570400000000, -0.0024345300000000 ] - [ -0.0042630600000000, 0.0000000000000000, -0.0242988600000000 ] - [ -0.0002823800000000, 0.0000000000000000, -0.0062444000000000 ] - [ 0.0177936000000000, -0.0002587700000000, 0.0007377700000000 ] - [ 0.0177936000000000, 0.0002587700000000, 0.0007377700000000 ] - [ -0.0022882500000000, -0.0017670800000000, -0.0019891000000000 ] - [ -0.0022882500000000, 0.0017670800000000, -0.0019891000000000 ] - [ -0.0063566800000000, 0.0000000000000000, -0.0009878200000000 ] - [ -0.0046470400000000, 0.0000000000000000, -0.0004076800000000 ] - [ 0.0013741500000000, 0.0000000000000000, -0.0029444200000000 ] - [ 0.0026549100000000, 0.0000000000000000, -0.0022484400000000 ] - [ -0.0000622900000000, 0.0016855000000000, 0.0005065600000000 ] - [ -0.0000622900000000, -0.0016855000000000, 0.0005065600000000 ] - [ -0.0042923800000000, 0.0000000000000000, -0.0265675700000000 ] - [ 0.0002730700000000, 0.0000000000000000, -0.0057026000000000 ] - [ -0.0039117900000000, 0.0000714200000000, -0.0018374300000000 ] - [ -0.0039117900000000, -0.0000714200000000, -0.0018374300000000 ] - [ 0.0090059900000000, 0.0000000000000000, -0.0007001300000000 ] - [ 0.0041399400000000, 0.0000000000000000, -0.0003450400000000 ] - [ 0.0248263100000000, 0.0000000000000000, 0.0114561500000000 ] - [ 0.0084880900000000, 0.0000000000000000, 0.0002721800000000 ] - [ -0.0009941800000000, 0.0000000000000000, -0.0051694800000000 ] - [ -0.0007685500000000, 0.0000000000000000, -0.0038100200000000 ] - [ -0.0014956500000000, -0.0003904600000000, -0.0058952400000000 ] - [ -0.0014956500000000, 0.0003904600000000, -0.0058952400000000 ] - [ -0.0114071100000000, -0.0162738400000000, -0.0010358600000000 ] - [ -0.0114071100000000, 0.0162738400000000, -0.0010358600000000 ] - [ -0.0012790900000000, 0.0000366800000000, -0.0022743600000000 ] - [ -0.0012790900000000, -0.0000366800000000, -0.0022743600000000 ]- atom: 3 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0073408600000000, 0.0000000000000000, 0.0228904700000000 ] - [ 0.0068651400000000, 0.0000000000000000, 0.0079838900000000 ] - [ 0.1992731400000000, 0.0000000000000000, 0.0091161900000000 ] - [ 0.0146235900000000, 0.0000000000000000, 0.0030260400000000 ] - [ -0.0033359500000000, 0.0005570400000000, 0.0034140900000000 ] - [ -0.0033359500000000, -0.0005570400000000, 0.0034140900000000 ] - [ -0.0033916300000000, 0.0009651000000000, -0.0069150600000000 ] - [ -0.0033916300000000, -0.0009651000000000, -0.0069150600000000 ] - [ -0.0122898300000000, 0.0000046100000000, -0.0033828300000000 ] - [ -0.0122898300000000, -0.0000046100000000, -0.0033828300000000 ] - [ 0.0028505000000000, 0.0000000000000000, -0.0190338000000000 ] - [ 0.0002721700000000, 0.0000000000000000, -0.0058285100000000 ] - [ 0.0124892500000000, 0.0000000000000000, 0.0051159000000000 ] - [ 0.0061316800000000, 0.0000000000000000, 0.0003868700000000 ] - [ -0.0888803900000000, 0.0000000000000000, 0.0085739300000000 ] - [ -0.0006524000000000, 0.0000000000000000, 0.0001133600000000 ] - [ -0.0036123900000000, -0.0005423300000000, 0.0018968100000000 ] - [ -0.0036123900000000, 0.0005423300000000, 0.0018968100000000 ] - [ 0.0000368100000000, 0.0000000000000000, 0.0282584400000000 ] - [ 0.0006491900000000, 0.0000000000000000, 0.0124221600000000 ] - [ -0.0079221200000000, 0.0040429000000000, -0.0008665100000000 ] - [ -0.0079221200000000, -0.0040429000000000, -0.0008665100000000 ] - [ 0.0131951500000000, 0.0000000000000000, 0.0104691800000000 ] - [ 0.0063553400000000, 0.0000000000000000, 0.0052982200000000 ] - [ -0.0051800700000000, -0.0005832800000000, -0.0050692100000000 ] - [ -0.0051800700000000, 0.0005832800000000, -0.0050692100000000 ] - [ -0.0150295000000000, -0.0036472100000000, -0.0015120600000000 ] - [ -0.0150295000000000, 0.0036472100000000, -0.0015120600000000 ] - [ -0.0002272700000000, 0.0000000000000000, -0.0208435200000000 ] - [ -0.0008296400000000, 0.0000000000000000, -0.0085273500000000 ] - [ -0.0105005500000000, -0.0009501200000000, -0.0047351200000000 ] - [ -0.0105005500000000, 0.0009501200000000, -0.0047351200000000 ] - [ -0.0852238300000000, 0.0000000000000000, 0.0050260300000000 ] - [ 0.0069843600000000, 0.0000000000000000, 0.0003489300000000 ] - [ -0.0057464900000000, 0.0005762900000000, -0.0003948800000000 ] - [ -0.0057464900000000, -0.0005762900000000, -0.0003948800000000 ] - [ -0.0116028500000000, 0.0000000000000000, -0.0032909800000000 ] - [ -0.0021297000000000, 0.0000000000000000, -0.0016102600000000 ] - [ 0.0156838100000000, 0.0000000000000000, 0.0016852700000000 ] - [ 0.0071969400000000, 0.0000000000000000, 0.0015133600000000 ] - [ 0.0046268200000000, 0.0000000000000000, -0.0296193400000000 ] - [ 0.0003796800000000, 0.0000000000000000, -0.0068936100000000 ] - [ -0.0007368700000000, 0.0006825300000000, -0.0004104800000000 ] - [ -0.0007368700000000, -0.0006825300000000, -0.0004104800000000 ] - [ 0.0098099700000000, 0.0002297400000000, -0.0000592600000000 ] - [ 0.0098099700000000, -0.0002297400000000, -0.0000592600000000 ] - [ 0.0029326500000000, -0.0001178200000000, 0.0001342200000000 ] - [ 0.0029326500000000, 0.0001178200000000, 0.0001342200000000 ] - [ -0.0094913100000000, 0.0000000000000000, -0.0068329200000000 ] - [ -0.0062494400000000, 0.0000000000000000, -0.0036902100000000 ] - [ 0.0010314400000000, 0.0003724400000000, -0.0029323500000000 ] - [ 0.0010314400000000, -0.0003724400000000, -0.0029323500000000 ] - [ 0.0050960400000000, 0.0000000000000000, 0.0006125900000000 ] - [ 0.0050597700000000, 0.0000000000000000, 0.0005864000000000 ] - [ 0.0001335100000000, 0.0000000000000000, -0.0020990700000000 ] - [ -0.0007399200000000, 0.0000000000000000, -0.0010520900000000 ] - [ -0.0024807300000000, 0.0024570700000000, -0.0016760100000000 ] - [ -0.0024807300000000, -0.0024570700000000, -0.0016760100000000 ] - [ 0.0042672800000000, -0.0022765800000000, -0.0033878200000000 ] - [ 0.0042672800000000, 0.0022765800000000, -0.0033878200000000 ] - [ 0.0020072100000000, 0.0000000000000000, -0.0000751600000000 ] - [ 0.0013342500000000, 0.0000000000000000, 0.0010491500000000 ] - [ 0.0014247100000000, -0.0004078000000000, -0.0024886600000000 ] - [ 0.0014247100000000, 0.0004078000000000, -0.0024886600000000 ] - [ -0.0074481000000000, 0.0000000000000000, -0.0050546900000000 ] - [ -0.0041883600000000, 0.0000000000000000, -0.0026492900000000 ] - [ 0.0028019400000000, 0.0001013900000000, 0.0000121600000000 ] - [ 0.0028019400000000, -0.0001013900000000, 0.0000121600000000 ] - [ 0.0074499700000000, -0.0002367800000000, 0.0000917800000000 ] - [ 0.0074499700000000, 0.0002367800000000, 0.0000917800000000 ] - [ -0.0012328900000000, -0.0006773700000000, -0.0039308400000000 ] - [ -0.0012328900000000, 0.0006773700000000, -0.0039308400000000 ] - [ 0.0035525900000000, 0.0000000000000000, -0.0328320800000000 ] - [ -0.0004156900000000, 0.0000000000000000, -0.0098875200000000 ] - [ 0.0069693600000000, 0.0000000000000000, -0.0005120100000000 ] - [ -0.0027053100000000, 0.0000000000000000, -0.0007058100000000 ] - [ -0.0109284500000000, 0.0000000000000000, -0.0031494700000000 ] - [ -0.0023025100000000, 0.0000000000000000, -0.0022259400000000 ] - [ 0.0008561000000000, 0.0000435700000000, 0.0029735500000000 ] - [ 0.0008561000000000, -0.0000435700000000, 0.0029735500000000 ] - [ 0.0108497700000000, -0.0157922900000000, 0.0021588000000000 ] - [ 0.0108497700000000, 0.0157922900000000, 0.0021588000000000 ] - [ 0.0019280200000000, -0.0004100700000000, 0.0051353000000000 ] - [ 0.0019280200000000, 0.0004100700000000, 0.0051353000000000 ] - [ 0.0016341200000000, 0.0000000000000000, 0.0035574200000000 ] - [ 0.0013938800000000, 0.0000000000000000, 0.0022417300000000 ] - [ -0.0159040400000000, 0.0000000000000000, -0.0102858000000000 ] - [ -0.0049764800000000, 0.0000000000000000, 0.0001482600000000 ] - [ -0.0116057500000000, 0.0000000000000000, 0.0004720400000000 ] - [ -0.0048256700000000, 0.0000000000000000, 0.0002000700000000 ] - [ 0.0045163000000000, 0.0000559200000000, 0.0025361800000000 ] - [ 0.0045163000000000, -0.0000559200000000, 0.0025361800000000 ] - [ 0.0042375600000000, 0.0000000000000000, 0.0244428200000000 ] - [ 0.0001326300000000, 0.0000000000000000, 0.0061177200000000 ] - [ -0.0112199300000000, -0.0001341300000000, -0.0010277700000000 ] - [ -0.0112199300000000, 0.0001341300000000, -0.0010277700000000 ] - [ 0.0015517400000000, 0.0017640900000000, 0.0022524300000000 ] - [ 0.0015517400000000, -0.0017640900000000, 0.0022524300000000 ] - [ 0.0002485200000000, 0.0000000000000000, 0.0021379000000000 ] - [ -0.0014797400000000, 0.0000000000000000, 0.0015457600000000 ] - [ 0.0065231100000000, 0.0000000000000000, 0.0001444600000000 ] - [ 0.0052484000000000, 0.0000000000000000, -0.0005398500000000 ] - [ 0.0031049100000000, -0.0017047200000000, 0.0040183700000000 ] - [ 0.0031049100000000, 0.0017047200000000, 0.0040183700000000 ] - [ 0.0046014900000000, 0.0000000000000000, 0.0274342700000000 ] - [ 0.0001580600000000, 0.0000000000000000, 0.0068530100000000 ] - [ 0.0068855700000000, -0.0000731100000000, 0.0024906100000000 ] - [ 0.0068855700000000, 0.0000731100000000, 0.0024906100000000 ] - [ -0.0086779700000000, 0.0000000000000000, 0.0008831900000000 ] - [ -0.0037173900000000, 0.0000000000000000, 0.0005002600000000 ] - [ -0.0206671300000000, 0.0000000000000000, -0.0110146900000000 ] - [ -0.0091665400000000, 0.0000000000000000, -0.0005261000000000 ] - [ 0.0011687800000000, 0.0000000000000000, 0.0004857900000000 ] - [ 0.0009405800000000, 0.0000000000000000, -0.0008866300000000 ] - [ 0.0008910500000000, 0.0003862500000000, 0.0034642900000000 ] - [ 0.0008910500000000, -0.0003862500000000, 0.0034642900000000 ] - [ 0.0013249800000000, 0.0160869800000000, -0.0004127600000000 ] - [ 0.0013249800000000, -0.0160869800000000, -0.0004127600000000 ] - [ 0.0008733500000000, -0.0000376100000000, 0.0026358200000000 ] - [ 0.0008733500000000, 0.0000376100000000, 0.0026358200000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021987300000000, -0.0003626300000000, -0.0011765800000000 ] - [ 0.0021957200000000, 0.0003342000000000, -0.0011808000000000 ] - [ -0.0034876300000000, -0.1218276900000000, -0.0000270500000000 ] - [ -0.0035317100000000, 0.2347582400000000, -0.0000521900000000 ] - [ -0.0013371800000000, -0.0000151000000000, -0.0003112900000000 ] - [ -0.0013500900000000, -0.0000228200000000, 0.0002442600000000 ] - [ 0.0021799700000000, 0.0000012900000000, -0.0012155200000000 ] - [ 0.0022053700000000, 0.0000009200000000, -0.0011542300000000 ] - [ -0.0035169600000000, 0.0000231800000000, -0.0000580800000000 ] - [ -0.0035193000000000, 0.0000201200000000, -0.0000568000000000 ] - [ -0.0013316800000000, -0.0002505600000000, -0.0000345700000000 ] - [ -0.0013441700000000, 0.0002277900000000, -0.0000458500000000 ] - [ -0.0005243200000000, -0.0035375300000000, -0.0018622900000000 ] - [ -0.0005151900000000, 0.0016884700000000, -0.0018477700000000 ] - [ -0.0033049800000000, -0.0043649500000000, -0.0007961400000000 ] - [ -0.0032900100000000, 0.0018143800000000, -0.0007904500000000 ] - [ -0.0012035600000000, -0.0000230800000000, -0.0018774300000000 ] - [ -0.0011667200000000, -0.0000307700000000, -0.0025187300000000 ] - [ -0.0039153700000000, -0.0003484800000000, 0.0018678400000000 ] - [ -0.0039119600000000, 0.0003098800000000, 0.0018666400000000 ] - [ 0.0032418500000000, -0.0000318100000000, -0.0003277000000000 ] - [ 0.0039650500000000, -0.0000494400000000, -0.0002405100000000 ] - [ -0.0008816500000000, -0.0032601500000000, 0.0027326400000000 ] - [ -0.0008906300000000, 0.0015448200000000, 0.0027145600000000 ] - [ -0.0004820400000000, -0.0000018100000000, -0.0018297700000000 ] - [ -0.0005662700000000, -0.0000013100000000, -0.0018378400000000 ] - [ -0.0029147100000000, -0.0000381400000000, -0.0007748000000000 ] - [ -0.0036650200000000, -0.0000532600000000, -0.0008184400000000 ] - [ -0.0011919500000000, -0.0003456600000000, -0.0022078600000000 ] - [ -0.0011867600000000, 0.0003028500000000, -0.0022023600000000 ] - [ -0.0038941000000000, -0.0000006400000000, 0.0018992200000000 ] - [ -0.0039273900000000, 0.0000010900000000, 0.0018269200000000 ] - [ 0.0035922600000000, -0.0043047800000000, -0.0002781600000000 ] - [ 0.0035895000000000, 0.0016281800000000, -0.0002863500000000 ] - [ -0.0009380400000000, 0.0000000000000000, 0.0026930200000000 ] - [ -0.0008472300000000, -0.0000012200000000, 0.0027006700000000 ] - [ -0.0001366300000000, 0.0108005500000000, 0.0006325600000000 ] - [ -0.0001233900000000, -0.0104441400000000, 0.0003209900000000 ] - [ 0.0049743500000000, 0.0003908400000000, 0.0014522000000000 ] - [ 0.0049908400000000, -0.0002382300000000, 0.0014537800000000 ] - [ 0.0006294200000000, 0.0003878400000000, 0.0008217500000000 ] - [ 0.0006277100000000, -0.0003436400000000, 0.0008361700000000 ] - [ 0.0005149300000000, -0.0001373700000000, 0.0015853900000000 ] - [ 0.0007246800000000, -0.0000633600000000, 0.0002759000000000 ] - [ 0.0019079900000000, 0.0000020200000000, 0.0001481800000000 ] - [ 0.0022277200000000, 0.0000041000000000, 0.0001094500000000 ] - [ 0.0002069400000000, -0.0000010400000000, 0.0000001900000000 ] - [ 0.0000529600000000, -0.0000003100000000, -0.0000304900000000 ] - [ -0.0006696600000000, 0.0001570200000000, 0.0000535300000000 ] - [ -0.0006790300000000, -0.0001428800000000, 0.0000493200000000 ] - [ -0.0000674300000000, 0.0000064700000000, -0.0001672500000000 ] - [ -0.0000674800000000, 0.0000073300000000, 0.0000228400000000 ] - [ 0.0032437600000000, 0.0000420400000000, -0.0001496800000000 ] - [ 0.0032432700000000, -0.0000479100000000, -0.0001494400000000 ] - [ -0.0003692200000000, 0.0002850900000000, 0.0001365500000000 ] - [ -0.0003688100000000, -0.0001934400000000, 0.0001307500000000 ] - [ -0.0030728000000000, -0.0000137500000000, 0.0005692300000000 ] - [ -0.0030408700000000, 0.0000106600000000, 0.0005624000000000 ] - [ 0.0039437500000000, 0.0000005000000000, -0.0013907600000000 ] - [ 0.0039632600000000, 0.0000054800000000, -0.0014002100000000 ] - [ 0.0015218100000000, 0.0002159400000000, 0.0022571300000000 ] - [ 0.0015254400000000, -0.0001750300000000, 0.0022618700000000 ] - [ 0.0002131800000000, 0.0000036300000000, 0.0006392500000000 ] - [ 0.0002082800000000, 0.0000052800000000, 0.0004648600000000 ] - [ 0.0014883200000000, 0.0001338600000000, 0.0003203800000000 ] - [ 0.0014848900000000, -0.0001149000000000, 0.0003198100000000 ] - [ 0.0001759900000000, -0.0000004400000000, 0.0000659600000000 ] - [ 0.0003224800000000, 0.0000002100000000, 0.0000934800000000 ] - [ -0.0003349300000000, -0.0000001300000000, -0.0001375500000000 ] - [ -0.0006492400000000, 0.0000018600000000, -0.0001228300000000 ] - [ 0.0000796400000000, -0.0001015900000000, -0.0029423000000000 ] - [ 0.0000884000000000, -0.0000277300000000, -0.0017797200000000 ] - [ -0.0002988000000000, 0.0003813400000000, -0.0012120400000000 ] - [ -0.0002975500000000, -0.0003106500000000, -0.0012048900000000 ] - [ -0.0050176800000000, 0.0004108800000000, -0.0007242500000000 ] - [ -0.0050369300000000, -0.0002617300000000, -0.0007262100000000 ] - [ -0.0001901800000000, 0.0103206800000000, -0.0000685400000000 ] - [ -0.0002082500000000, -0.0100168900000000, 0.0002288000000000 ] - [ -0.0001256200000000, -0.0000007300000000, 0.0003820900000000 ] - [ -0.0001180700000000, 0.0000002400000000, 0.0003784200000000 ] - [ 0.0056104900000000, -0.0000686900000000, 0.0014323300000000 ] - [ 0.0043823600000000, 0.0000249800000000, 0.0014653300000000 ] - [ 0.0006442800000000, -0.0000015300000000, 0.0009016800000000 ] - [ 0.0006120500000000, -0.0000006600000000, 0.0007943900000000 ] - [ 0.0006201500000000, 0.0000371000000000, 0.0009184000000000 ] - [ 0.0006205400000000, -0.0000383100000000, 0.0009163800000000 ] - [ 0.0025010700000000, 0.0068676300000000, 0.0001409300000000 ] - [ 0.0019844200000000, -0.0125790500000000, 0.0001229700000000 ] - [ 0.0001172900000000, 0.0004679800000000, -0.0000178000000000 ] - [ 0.0001407900000000, -0.0003200300000000, -0.0000177100000000 ] - [ -0.0006747900000000, -0.0000002500000000, 0.0000509000000000 ] - [ -0.0006734600000000, -0.0000004700000000, 0.0000503200000000 ] - [ -0.0000670200000000, 0.0002598800000000, -0.0000717700000000 ] - [ -0.0000677600000000, -0.0002029000000000, -0.0000775800000000 ] - [ 0.0023899100000000, -0.0436960700000000, -0.0002618700000000 ] - [ 0.0040467300000000, -0.0498200900000000, -0.0000345500000000 ] - [ -0.0004086000000000, 0.0000050800000000, 0.0001116600000000 ] - [ -0.0003315500000000, -0.0000048100000000, 0.0001600100000000 ] - [ -0.0030560500000000, 0.0000305300000000, 0.0005669300000000 ] - [ -0.0030571800000000, -0.0000409600000000, 0.0005666200000000 ] - [ 0.0039536600000000, 0.0000330600000000, -0.0013946300000000 ] - [ 0.0039514600000000, -0.0000382400000000, -0.0013945700000000 ] - [ 0.0015514800000000, -0.0000003000000000, 0.0022824000000000 ] - [ 0.0014965800000000, 0.0000020000000000, 0.0022375100000000 ] - [ 0.0002125900000000, 0.0002223500000000, 0.0005563600000000 ] - [ 0.0002112100000000, -0.0001767000000000, 0.0005839000000000 ] - [ 0.0014869300000000, -0.0000008600000000, 0.0003192700000000 ] - [ 0.0014902600000000, -0.0000007800000000, 0.0003266600000000 ] - [ 0.0002476500000000, 0.0003551800000000, 0.0000845500000000 ] - [ 0.0002459800000000, -0.0002756800000000, 0.0000822400000000 ] - [ -0.0009101700000000, 0.0071414100000000, -0.0001739100000000 ] - [ -0.0003793400000000, -0.0129317000000000, -0.0001241000000000 ] - [ 0.0000879200000000, 0.0000392400000000, -0.0023484900000000 ] - [ 0.0000875400000000, -0.0000421800000000, -0.0023496100000000 ] - [ -0.0003127200000000, -0.0000013400000000, -0.0012694600000000 ] - [ -0.0002845700000000, -0.0000006800000000, -0.0011578400000000 ] - [ -0.0056998100000000, -0.0000271700000000, -0.0007380300000000 ] - [ -0.0043800400000000, 0.0000615700000000, -0.0007088400000000 ] - [ -0.0002019900000000, -0.0000005000000000, 0.0001821800000000 ] - [ -0.0002074900000000, 0.0000004300000000, 0.0001835600000000 ]- atom: 3 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0072191900000000, 0.0000000000000000, 0.0095817300000000 ] - [ -0.0018057900000000, 0.0000000000000000, 0.0023505100000000 ] - [ 0.0904680800000000, 0.0000000000000000, -0.0963157400000000 ] - [ 0.0029333800000000, 0.0000000000000000, -0.0091436100000000 ] - [ -0.0027173500000000, -0.0013103300000000, 0.0073451800000000 ] - [ -0.0027173500000000, 0.0013103300000000, 0.0073451800000000 ] - [ 0.0033233800000000, -0.0001876600000000, -0.0022902400000000 ] - [ 0.0033233800000000, 0.0001876600000000, -0.0022902400000000 ] - [ -0.0050460500000000, 0.0000013500000000, 0.0009254100000000 ] - [ -0.0050460500000000, -0.0000013500000000, 0.0009254100000000 ] - [ 0.0151365700000000, 0.0000000000000000, -0.0105045300000000 ] - [ 0.0041625900000000, 0.0000000000000000, -0.0034674200000000 ] - [ 0.0096522600000000, 0.0000000000000000, 0.0624660800000000 ] - [ 0.0000924500000000, 0.0000000000000000, -0.0006903500000000 ] - [ -0.0447873900000000, 0.0000000000000000, -0.0042798600000000 ] - [ -0.0035599500000000, 0.0000000000000000, -0.0038527500000000 ] - [ -0.0040097200000000, 0.0014754600000000, 0.0067427300000000 ] - [ -0.0040097200000000, -0.0014754600000000, 0.0067427300000000 ] - [ -0.0161140500000000, 0.0000000000000000, 0.0181933200000000 ] - [ -0.0094235000000000, 0.0000000000000000, 0.0077889500000000 ] - [ -0.0003617200000000, 0.0017292400000000, 0.0011799000000000 ] - [ -0.0003617200000000, -0.0017292400000000, 0.0011799000000000 ] - [ 0.0132826300000000, 0.0000000000000000, 0.0643064100000000 ] - [ -0.0002749400000000, 0.0000000000000000, 0.0039345100000000 ] - [ 0.0013377100000000, 0.0002689000000000, -0.0010392700000000 ] - [ 0.0013377100000000, -0.0002689000000000, -0.0010392700000000 ] - [ -0.0071732700000000, -0.0015462800000000, 0.0006411000000000 ] - [ -0.0071732700000000, 0.0015462800000000, 0.0006411000000000 ] - [ 0.0136360300000000, 0.0000000000000000, -0.0126385600000000 ] - [ 0.0041467100000000, 0.0000000000000000, -0.0056567800000000 ] - [ -0.0023508800000000, 0.0000948000000000, 0.0006694200000000 ] - [ -0.0023508800000000, -0.0000948000000000, 0.0006694200000000 ] - [ -0.0370599900000000, 0.0000000000000000, -0.0071745200000000 ] - [ 0.0037555400000000, 0.0000000000000000, -0.0039112600000000 ] - [ 0.0008742700000000, -0.0002333500000000, 0.0034807900000000 ] - [ 0.0008742700000000, 0.0002333500000000, 0.0034807900000000 ] - [ -0.0114176700000000, 0.0000000000000000, -0.0062454300000000 ] - [ -0.0008956400000000, 0.0000000000000000, 0.0032907600000000 ] - [ 0.0095742600000000, 0.0000000000000000, 0.0016679200000000 ] - [ 0.0059474300000000, 0.0000000000000000, 0.0013072100000000 ] - [ 0.0037543700000000, 0.0000000000000000, -0.0095295100000000 ] - [ 0.0012392000000000, 0.0000000000000000, -0.0010574600000000 ] - [ -0.0004475600000000, 0.0123344700000000, -0.0042440600000000 ] - [ -0.0004475600000000, -0.0123344700000000, -0.0042440600000000 ] - [ 0.0037614600000000, 0.0001029400000000, -0.0002505800000000 ] - [ 0.0037614600000000, -0.0001029400000000, -0.0002505800000000 ] - [ -0.0007235700000000, 0.0001760800000000, -0.0008824900000000 ] - [ -0.0007235700000000, -0.0001760800000000, -0.0008824900000000 ] - [ 0.0122790400000000, 0.0000000000000000, -0.0081105500000000 ] - [ 0.0036958800000000, 0.0000000000000000, -0.0025737000000000 ] - [ 0.0007197900000000, 0.0000455000000000, -0.0045116900000000 ] - [ 0.0007197900000000, -0.0000455000000000, -0.0045116900000000 ] - [ 0.0036020700000000, 0.0000000000000000, -0.0003642700000000 ] - [ 0.0035872200000000, 0.0000000000000000, -0.0003703000000000 ] - [ 0.0028071100000000, 0.0000000000000000, -0.0081116800000000 ] - [ 0.0013762200000000, 0.0000000000000000, -0.0022214600000000 ] - [ 0.0002442300000000, 0.0014315200000000, -0.0013145600000000 ] - [ 0.0002442300000000, -0.0014315200000000, -0.0013145600000000 ] - [ 0.0064281400000000, -0.0011420900000000, -0.0034554400000000 ] - [ 0.0064281400000000, 0.0011420900000000, -0.0034554400000000 ] - [ 0.0040982200000000, 0.0000000000000000, -0.0048565400000000 ] - [ 0.0030653900000000, 0.0000000000000000, 0.0000122800000000 ] - [ 0.0010230100000000, -0.0000086400000000, -0.0039824500000000 ] - [ 0.0010230100000000, 0.0000086400000000, -0.0039824500000000 ] - [ 0.0129887900000000, 0.0000000000000000, -0.0050301000000000 ] - [ 0.0058807300000000, 0.0000000000000000, -0.0014191700000000 ] - [ -0.0000972100000000, -0.0002296000000000, -0.0009773900000000 ] - [ -0.0000972100000000, 0.0002296000000000, -0.0009773900000000 ] - [ 0.0012097700000000, -0.0001040400000000, -0.0003946100000000 ] - [ 0.0012097700000000, 0.0001040400000000, -0.0003946100000000 ] - [ 0.0001547500000000, -0.0118843900000000, -0.0081227400000000 ] - [ 0.0001547500000000, 0.0118843900000000, -0.0081227400000000 ] - [ 0.0028902000000000, 0.0000000000000000, -0.0148035200000000 ] - [ 0.0003618500000000, 0.0000000000000000, -0.0043491500000000 ] - [ 0.0001974400000000, 0.0000000000000000, -0.0005156200000000 ] - [ -0.0038736000000000, 0.0000000000000000, -0.0008511300000000 ] - [ -0.0125565800000000, 0.0000000000000000, -0.0068530900000000 ] - [ -0.0006561700000000, 0.0000000000000000, 0.0026565300000000 ] - [ -0.0001960200000000, 0.0000031500000000, -0.0003908300000000 ] - [ -0.0001960200000000, -0.0000031500000000, -0.0003908300000000 ] - [ 0.0077724900000000, -0.0070379700000000, 0.0024422900000000 ] - [ 0.0077724900000000, 0.0070379700000000, 0.0024422900000000 ] - [ 0.0008648200000000, -0.0001149400000000, 0.0022618800000000 ] - [ 0.0008648200000000, 0.0001149400000000, 0.0022618800000000 ] - [ -0.0001558200000000, 0.0000000000000000, 0.0007474500000000 ] - [ 0.0001953100000000, 0.0000000000000000, 0.0008653400000000 ] - [ -0.0047173800000000, 0.0000000000000000, -0.0003786300000000 ] - [ 0.0004006700000000, 0.0000000000000000, 0.0014624100000000 ] - [ -0.0265728400000000, 0.0000000000000000, -0.0016963800000000 ] - [ -0.0067649200000000, 0.0000000000000000, -0.0000041100000000 ] - [ -0.0016875000000000, 0.0000062700000000, 0.0001618600000000 ] - [ -0.0016875000000000, -0.0000062700000000, 0.0001618600000000 ] - [ 0.0013500000000000, 0.0000000000000000, 0.0164014600000000 ] - [ -0.0002895200000000, 0.0000000000000000, 0.0050746900000000 ] - [ -0.0033210600000000, -0.0003844200000000, 0.0102886700000000 ] - [ -0.0033210600000000, 0.0003844200000000, 0.0102886700000000 ] - [ -0.0018073900000000, -0.0004331700000000, 0.0002465900000000 ] - [ -0.0018073900000000, 0.0004331700000000, 0.0002465900000000 ] - [ -0.0048481700000000, 0.0000000000000000, 0.0011064300000000 ] - [ -0.0040587700000000, 0.0000000000000000, 0.0008076900000000 ] - [ 0.0025374000000000, 0.0000000000000000, -0.0009709300000000 ] - [ 0.0031590100000000, 0.0000000000000000, -0.0011803600000000 ] - [ 0.0004637500000000, 0.0004313000000000, 0.0022819700000000 ] - [ 0.0004637500000000, -0.0004313000000000, 0.0022819700000000 ] - [ 0.0010628100000000, 0.0000000000000000, 0.0188255400000000 ] - [ -0.0002504900000000, 0.0000000000000000, 0.0060697300000000 ] - [ 0.0004365700000000, 0.0000029700000000, 0.0003243400000000 ] - [ 0.0004365700000000, -0.0000029700000000, 0.0003243400000000 ] - [ -0.0223644600000000, 0.0000000000000000, -0.0003508100000000 ] - [ -0.0061540800000000, 0.0000000000000000, 0.0003170100000000 ] - [ -0.0061074500000000, 0.0000000000000000, 0.0004651300000000 ] - [ -0.0027603100000000, 0.0000000000000000, 0.0010776500000000 ] - [ -0.0005238600000000, 0.0000000000000000, -0.0024411200000000 ] - [ -0.0002609800000000, 0.0000000000000000, -0.0023363200000000 ] - [ -0.0001149500000000, 0.0001178400000000, 0.0001171800000000 ] - [ -0.0001149500000000, -0.0001178400000000, 0.0001171800000000 ] - [ -0.0022112500000000, 0.0067934200000000, 0.0001011500000000 ] - [ -0.0022112500000000, -0.0067934200000000, 0.0001011500000000 ] - [ -0.0002703300000000, -0.0000046300000000, -0.0006141400000000 ] - [ -0.0002703300000000, 0.0000046300000000, -0.0006141400000000 ]- atom: 3 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0116910500000000, 0.0000000000000000, -0.0118359400000000 ] - [ 0.0061934500000000, 0.0000000000000000, -0.0046731400000000 ] - [ -0.0974511700000000, 0.0000000000000000, 0.0964971600000000 ] - [ -0.0099736300000000, 0.0000000000000000, 0.0090367600000000 ] - [ 0.0000263500000000, 0.0013250300000000, -0.0074459400000000 ] - [ 0.0000263500000000, -0.0013250300000000, -0.0074459400000000 ] - [ 0.0010562700000000, 0.0001938100000000, -0.0000681800000000 ] - [ 0.0010562700000000, -0.0001938100000000, -0.0000681800000000 ] - [ -0.0019908100000000, -0.0000012300000000, -0.0010422900000000 ] - [ -0.0019908100000000, 0.0000012300000000, -0.0010422900000000 ] - [ -0.0176703200000000, 0.0000000000000000, 0.0103863900000000 ] - [ -0.0068387100000000, 0.0000000000000000, 0.0033490500000000 ] - [ -0.0108339700000000, 0.0000000000000000, -0.0669984700000000 ] - [ -0.0011169600000000, 0.0000000000000000, -0.0028266200000000 ] - [ 0.0381852700000000, 0.0000000000000000, 0.0026445000000000 ] - [ -0.0028817500000000, 0.0000000000000000, 0.0022369300000000 ] - [ 0.0016325300000000, -0.0014603700000000, -0.0110980200000000 ] - [ 0.0016325300000000, 0.0014603700000000, -0.0110980200000000 ] - [ 0.0082046100000000, 0.0000000000000000, -0.0145376700000000 ] - [ 0.0016035700000000, 0.0000000000000000, -0.0040847600000000 ] - [ 0.0075829700000000, -0.0017178800000000, -0.0017559000000000 ] - [ 0.0075829700000000, 0.0017178800000000, -0.0017559000000000 ] - [ -0.0148903700000000, 0.0000000000000000, -0.0579878600000000 ] - [ -0.0015214800000000, 0.0000000000000000, 0.0013230500000000 ] - [ -0.0023735600000000, -0.0002658000000000, -0.0026238300000000 ] - [ -0.0023735600000000, 0.0002658000000000, -0.0026238300000000 ] - [ 0.0005646700000000, 0.0015495500000000, -0.0022274400000000 ] - [ 0.0005646700000000, -0.0015495500000000, -0.0022274400000000 ] - [ -0.0161459100000000, 0.0000000000000000, 0.0082530400000000 ] - [ -0.0065215200000000, 0.0000000000000000, 0.0012813400000000 ] - [ -0.0054749600000000, -0.0000935700000000, 0.0030467200000000 ] - [ -0.0054749600000000, 0.0000935700000000, 0.0030467200000000 ] - [ 0.0440916100000000, 0.0000000000000000, 0.0066699100000000 ] - [ 0.0033106400000000, 0.0000000000000000, 0.0033490200000000 ] - [ -0.0026694500000000, 0.0002393800000000, 0.0019077500000000 ] - [ -0.0026694500000000, -0.0002393800000000, 0.0019077500000000 ] - [ 0.0114014400000000, 0.0000000000000000, 0.0045336900000000 ] - [ 0.0006440200000000, 0.0000000000000000, -0.0027442100000000 ] - [ 0.0004013800000000, 0.0000000000000000, 0.0012367800000000 ] - [ 0.0040352200000000, 0.0000000000000000, 0.0015979000000000 ] - [ -0.0025030600000000, 0.0000000000000000, 0.0110206400000000 ] - [ 0.0000201400000000, 0.0000000000000000, 0.0026956100000000 ] - [ 0.0016910600000000, -0.0124715600000000, 0.0060905500000000 ] - [ 0.0016910600000000, 0.0124715600000000, 0.0060905500000000 ] - [ 0.0003861000000000, -0.0001030800000000, 0.0005062500000000 ] - [ 0.0003861000000000, 0.0001030800000000, 0.0005062500000000 ] - [ 0.0009932600000000, -0.0001800500000000, 0.0008572100000000 ] - [ 0.0009932600000000, 0.0001800500000000, 0.0008572100000000 ] - [ -0.0137177000000000, 0.0000000000000000, 0.0082814900000000 ] - [ -0.0050653100000000, 0.0000000000000000, 0.0026628800000000 ] - [ -0.0008527300000000, -0.0000457700000000, 0.0043419100000000 ] - [ -0.0008527300000000, 0.0000457700000000, 0.0043419100000000 ] - [ 0.0028970900000000, 0.0000000000000000, 0.0000648900000000 ] - [ 0.0029120300000000, 0.0000000000000000, 0.0000707400000000 ] - [ -0.0035342900000000, 0.0000000000000000, 0.0083770800000000 ] - [ -0.0021174600000000, 0.0000000000000000, 0.0024851300000000 ] - [ -0.0063578900000000, -0.0014635300000000, 0.0024362100000000 ] - [ -0.0063578900000000, 0.0014635300000000, 0.0024362100000000 ] - [ 0.0014759200000000, 0.0011238300000000, 0.0006722400000000 ] - [ 0.0014759200000000, -0.0011238300000000, 0.0006722400000000 ] - [ -0.0010622300000000, 0.0000000000000000, 0.0093571800000000 ] - [ -0.0000119000000000, 0.0000000000000000, 0.0045070400000000 ] - [ -0.0006052700000000, 0.0000073200000000, 0.0051161100000000 ] - [ -0.0006052700000000, -0.0000073200000000, 0.0051161100000000 ] - [ -0.0099118600000000, 0.0000000000000000, 0.0056314600000000 ] - [ -0.0029039300000000, 0.0000000000000000, 0.0020650500000000 ] - [ 0.0005921600000000, 0.0002258600000000, 0.0011297000000000 ] - [ 0.0005921600000000, -0.0002258600000000, 0.0011297000000000 ] - [ -0.0021983300000000, 0.0001035700000000, 0.0001352800000000 ] - [ -0.0021983300000000, -0.0001035700000000, 0.0001352800000000 ] - [ 0.0000187400000000, 0.0117372500000000, 0.0034007600000000 ] - [ 0.0000187400000000, -0.0117372500000000, 0.0034007600000000 ] - [ -0.0034792600000000, 0.0000000000000000, 0.0124810300000000 ] - [ -0.0009663000000000, 0.0000000000000000, 0.0019739600000000 ] - [ -0.0102544700000000, 0.0000000000000000, -0.0009355700000000 ] - [ -0.0062067900000000, 0.0000000000000000, -0.0005984700000000 ] - [ 0.0118351900000000, 0.0000000000000000, 0.0094259700000000 ] - [ 0.0002564600000000, 0.0000000000000000, -0.0020990500000000 ] - [ -0.0000467400000000, -0.0000028500000000, 0.0011425400000000 ] - [ -0.0000467400000000, 0.0000028500000000, 0.0011425400000000 ] - [ 0.0021716400000000, 0.0070068700000000, 0.0004636700000000 ] - [ 0.0021716400000000, -0.0070068700000000, 0.0004636700000000 ] - [ 0.0003878800000000, 0.0001136200000000, -0.0005794600000000 ] - [ 0.0003878800000000, -0.0001136200000000, -0.0005794600000000 ] - [ 0.0013907900000000, 0.0000000000000000, 0.0010859800000000 ] - [ 0.0010444500000000, 0.0000000000000000, 0.0009639500000000 ] - [ 0.0082698600000000, 0.0000000000000000, 0.0003334500000000 ] - [ 0.0035650300000000, 0.0000000000000000, -0.0012055200000000 ] - [ 0.0266187100000000, 0.0000000000000000, 0.0016016900000000 ] - [ 0.0070324100000000, 0.0000000000000000, -0.0000186400000000 ] - [ 0.0003386800000000, -0.0000069400000000, -0.0000573500000000 ] - [ 0.0003386800000000, 0.0000069400000000, -0.0000573500000000 ] - [ -0.0014627600000000, 0.0000000000000000, -0.0165959500000000 ] - [ 0.0001467300000000, 0.0000000000000000, -0.0052516500000000 ] - [ 0.0098427700000000, -0.0001147500000000, -0.0105956800000000 ] - [ 0.0098427700000000, 0.0001147500000000, -0.0105956800000000 ] - [ 0.0010612500000000, 0.0004421800000000, 0.0000258400000000 ] - [ 0.0010612500000000, -0.0004421800000000, 0.0000258400000000 ] - [ -0.0012538000000000, 0.0000000000000000, 0.0000303900000000 ] - [ -0.0020582200000000, 0.0000000000000000, 0.0003256300000000 ] - [ 0.0053608500000000, 0.0000000000000000, -0.0018178400000000 ] - [ 0.0047384300000000, 0.0000000000000000, -0.0016070200000000 ] - [ 0.0025890500000000, -0.0004455000000000, 0.0022373600000000 ] - [ 0.0025890500000000, 0.0004455000000000, 0.0022373600000000 ] - [ -0.0006559500000000, 0.0000000000000000, -0.0176067300000000 ] - [ 0.0006738100000000, 0.0000000000000000, -0.0048693700000000 ] - [ 0.0025437400000000, -0.0000041800000000, 0.0003247700000000 ] - [ 0.0025437400000000, 0.0000041800000000, 0.0003247700000000 ] - [ 0.0230413300000000, 0.0000000000000000, 0.0005595300000000 ] - [ 0.0066582100000000, 0.0000000000000000, -0.0001645700000000 ] - [ 0.0058018500000000, 0.0000000000000000, -0.0004886600000000 ] - [ 0.0019433300000000, 0.0000000000000000, -0.0013268100000000 ] - [ 0.0007060100000000, 0.0000000000000000, -0.0022505700000000 ] - [ 0.0004374900000000, 0.0000000000000000, -0.0023643200000000 ] - [ -0.0004823100000000, -0.0001184200000000, -0.0025327800000000 ] - [ -0.0004823100000000, 0.0001184200000000, -0.0025327800000000 ] - [ -0.0078190500000000, -0.0067982600000000, -0.0015500900000000 ] - [ -0.0078190500000000, 0.0067982600000000, -0.0015500900000000 ] - [ -0.0001346300000000, 0.0000048700000000, 0.0009886400000000 ] - [ -0.0001346300000000, -0.0000048700000000, 0.0009886400000000 ]- atom: 5 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0064964700000000, -0.0004793000000000, 0.0051861200000000 ] - [ 0.0064964700000000, 0.0004793000000000, 0.0051861200000000 ] - [ -0.0015189400000000, 0.0000033900000000, -0.0004907300000000 ] - [ -0.0015189400000000, -0.0000033900000000, -0.0004907300000000 ] - [ -0.2398928000000000, 0.0000000000000000, 0.0044641700000000 ] - [ -0.0222444600000000, 0.0000000000000000, -0.0048895300000000 ] - [ 0.0047357600000000, 0.0000000000000000, -0.0077312300000000 ] - [ 0.0037578000000000, 0.0000000000000000, -0.0058719200000000 ] - [ -0.0076896600000000, 0.0000000000000000, 0.0164593400000000 ] - [ -0.0051396500000000, 0.0000000000000000, 0.0053439000000000 ] - [ 0.0043133000000000, 0.0003589600000000, 0.0013855000000000 ] - [ 0.0043133000000000, -0.0003589600000000, 0.0013855000000000 ] - [ -0.0152445800000000, -0.0001786900000000, 0.0053032800000000 ] - [ -0.0152445800000000, 0.0001786900000000, 0.0053032800000000 ] - [ -0.0053080400000000, -0.0008162200000000, -0.0185661100000000 ] - [ -0.0053080400000000, 0.0008162200000000, -0.0185661100000000 ] - [ 0.0043736000000000, 0.0000000000000000, 0.0018576700000000 ] - [ 0.0040017000000000, 0.0000000000000000, 0.0014484500000000 ] - [ 0.0160873200000000, -0.0420313100000000, 0.0022157600000000 ] - [ 0.0160873200000000, 0.0420313100000000, 0.0022157600000000 ] - [ -0.0078639600000000, 0.0000000000000000, -0.0181581400000000 ] - [ -0.0040314900000000, 0.0000000000000000, -0.0071927000000000 ] - [ 0.0088465200000000, -0.0001461200000000, 0.0030646000000000 ] - [ 0.0088465200000000, 0.0001461200000000, 0.0030646000000000 ] - [ 0.0041659300000000, 0.0000000000000000, -0.0002829000000000 ] - [ 0.0036693400000000, 0.0000000000000000, -0.0002714500000000 ] - [ 0.0029696400000000, 0.0000000000000000, 0.0051778700000000 ] - [ 0.0011923700000000, 0.0000000000000000, 0.0039740000000000 ] - [ -0.0023636100000000, 0.0040866200000000, -0.0189640100000000 ] - [ -0.0023636100000000, -0.0040866200000000, -0.0189640100000000 ] - [ 0.0076982100000000, 0.0000000000000000, 0.0044781200000000 ] - [ 0.0027370400000000, 0.0000000000000000, 0.0035676100000000 ] - [ 0.0072993900000000, 0.0001549800000000, 0.0037581300000000 ] - [ 0.0072993900000000, -0.0001549800000000, 0.0037581300000000 ] - [ 0.0942408500000000, 0.0000000000000000, 0.0071340100000000 ] - [ -0.0060575800000000, 0.0000000000000000, 0.0062143100000000 ] - [ 0.0004245600000000, -0.0001042200000000, -0.0008340900000000 ] - [ 0.0004245600000000, 0.0001042200000000, -0.0008340900000000 ] - [ 0.0032546300000000, -0.0004461100000000, 0.0005335500000000 ] - [ 0.0032546300000000, 0.0004461100000000, 0.0005335500000000 ] - [ 0.0000769900000000, -0.0000121800000000, -0.0036997400000000 ] - [ 0.0000769900000000, 0.0000121800000000, -0.0036997400000000 ] - [ 0.0108060500000000, 0.0000000000000000, 0.0052707300000000 ] - [ 0.0032789100000000, 0.0000000000000000, -0.0014220100000000 ] - [ -0.0024275500000000, 0.0000000000000000, -0.0014079100000000 ] - [ -0.0008587800000000, 0.0000000000000000, -0.0005363800000000 ] - [ 0.0881777600000000, 0.0000000000000000, -0.0129669800000000 ] - [ 0.0218268000000000, 0.0000000000000000, 0.0002566400000000 ] - [ -0.0002210000000000, 0.0019685300000000, -0.0059512400000000 ] - [ -0.0002210000000000, -0.0019685300000000, -0.0059512400000000 ] - [ -0.0009690000000000, 0.0000000000000000, -0.0045002700000000 ] - [ -0.0008102600000000, 0.0000000000000000, -0.0038442900000000 ] - [ 0.0036079900000000, -0.0016443200000000, -0.0025286300000000 ] - [ 0.0036079900000000, 0.0016443200000000, -0.0025286300000000 ] - [ 0.0221830100000000, -0.0060352200000000, 0.0016451400000000 ] - [ 0.0221830100000000, 0.0060352200000000, 0.0016451400000000 ] - [ -0.0057838800000000, 0.0000000000000000, -0.0008847800000000 ] - [ -0.0054363600000000, 0.0000000000000000, -0.0006166700000000 ] - [ -0.0034601400000000, 0.0000000000000000, -0.0015330200000000 ] - [ 0.0102668700000000, 0.0000000000000000, -0.0023543700000000 ] - [ -0.0003503600000000, -0.0000009600000000, 0.0011756800000000 ] - [ -0.0003503600000000, 0.0000009600000000, 0.0011756800000000 ] - [ 0.0202361800000000, 0.0000000000000000, -0.0023997000000000 ] - [ 0.0030759700000000, 0.0000000000000000, 0.0068475700000000 ] - [ -0.0081957300000000, 0.0016024600000000, -0.0019412300000000 ] - [ -0.0081957300000000, -0.0016024600000000, -0.0019412300000000 ] - [ -0.0040682100000000, 0.0000000000000000, -0.0001864300000000 ] - [ -0.0038755800000000, 0.0000000000000000, -0.0001698100000000 ] - [ 0.0114009200000000, 0.0000000000000000, 0.0005288500000000 ] - [ 0.0051265600000000, 0.0000000000000000, -0.0002897600000000 ] - [ -0.0019627300000000, 0.0000000000000000, -0.0034974100000000 ] - [ -0.0019044900000000, 0.0000000000000000, -0.0034288400000000 ] - [ -0.0016642300000000, 0.0028255000000000, 0.0132847200000000 ] - [ -0.0016642300000000, -0.0028255000000000, 0.0132847200000000 ] - [ -0.0031498600000000, 0.0010150200000000, 0.0014078500000000 ] - [ -0.0031498600000000, -0.0010150200000000, 0.0014078500000000 ] - [ -0.0011022100000000, 0.0000313200000000, 0.0002945100000000 ] - [ -0.0011022100000000, -0.0000313200000000, 0.0002945100000000 ] - [ -0.0000641600000000, 0.0000000000000000, -0.0029017800000000 ] - [ -0.0003361200000000, 0.0000000000000000, -0.0020675900000000 ] - [ 0.0066717400000000, 0.0000000000000000, 0.0047936400000000 ] - [ 0.0071043000000000, 0.0000000000000000, 0.0041073700000000 ] - [ 0.0011549200000000, 0.0000000000000000, 0.0080003000000000 ] - [ 0.0009025800000000, 0.0000000000000000, 0.0062619100000000 ] - [ -0.0003990000000000, -0.0001858100000000, 0.0003829700000000 ] - [ -0.0003990000000000, 0.0001858100000000, 0.0003829700000000 ] - [ 0.0013093200000000, -0.0000035200000000, 0.0016455400000000 ] - [ 0.0013093200000000, 0.0000035200000000, 0.0016455400000000 ] - [ -0.0059943400000000, -0.0000203000000000, -0.0004165000000000 ] - [ -0.0059943400000000, 0.0000203000000000, -0.0004165000000000 ] - [ -0.0033169500000000, 0.0000000000000000, 0.0011744300000000 ] - [ -0.0024266900000000, 0.0000000000000000, 0.0007354900000000 ] - [ 0.0002066100000000, -0.0000775400000000, 0.0107581100000000 ] - [ 0.0002066100000000, 0.0000775400000000, 0.0107581100000000 ] - [ 0.0028566500000000, 0.0000000000000000, -0.0000133000000000 ] - [ 0.0028700200000000, 0.0000000000000000, -0.0000420500000000 ] - [ -0.0034273800000000, 0.0000000000000000, -0.0001570400000000 ] - [ -0.0026042400000000, 0.0000000000000000, -0.0002521000000000 ] - [ -0.0040287200000000, -0.0007565500000000, 0.0025889100000000 ] - [ -0.0040287200000000, 0.0007565500000000, 0.0025889100000000 ] - [ 0.0015815800000000, -0.0009876400000000, -0.0013884000000000 ] - [ 0.0015815800000000, 0.0009876400000000, -0.0013884000000000 ] - [ -0.0013901700000000, 0.0000000000000000, 0.0091916900000000 ] - [ 0.0012111400000000, 0.0000000000000000, 0.0052299300000000 ] - [ -0.0006912900000000, -0.0000516900000000, -0.0013596800000000 ] - [ -0.0006912900000000, 0.0000516900000000, -0.0013596800000000 ] - [ -0.0162459000000000, 0.0000000000000000, 0.0041176300000000 ] - [ -0.0054467200000000, 0.0000000000000000, 0.0009691200000000 ] - [ 0.0085386700000000, -0.0017133900000000, 0.0030695000000000 ] - [ 0.0085386700000000, 0.0017133900000000, 0.0030695000000000 ] - [ -0.0027310700000000, -0.0000066600000000, -0.0004151100000000 ] - [ -0.0027310700000000, 0.0000066600000000, -0.0004151100000000 ] - [ -0.0052623900000000, -0.0208212800000000, 0.0052078400000000 ] - [ -0.0052623900000000, 0.0208212800000000, 0.0052078400000000 ] - [ -0.0013054900000000, 0.0000000000000000, -0.0054890100000000 ] - [ -0.0009573900000000, 0.0000000000000000, -0.0042164800000000 ] - [ -0.0069593500000000, 0.0000000000000000, -0.0014932400000000 ] - [ -0.0066818800000000, 0.0000000000000000, -0.0014306500000000 ] - [ -0.0065496700000000, 0.0000000000000000, -0.0238052400000000 ] - [ -0.0003228700000000, 0.0000000000000000, -0.0040042400000000 ]- atom: 5 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ -0.0020795500000000, 0.0004768700000000, -0.0075165900000000 ] - [ -0.0020795500000000, -0.0004768700000000, -0.0075165900000000 ] - [ -0.0055114200000000, -0.0000065500000000, 0.0003675900000000 ] - [ -0.0055114200000000, 0.0000065500000000, 0.0003675900000000 ] - [ 0.2467606200000000, 0.0000000000000000, -0.0062234900000000 ] - [ 0.0196504700000000, 0.0000000000000000, 0.0048516200000000 ] - [ -0.0003756300000000, 0.0000000000000000, 0.0054673500000000 ] - [ 0.0006185900000000, 0.0000000000000000, 0.0035571900000000 ] - [ 0.0007633000000000, 0.0000000000000000, -0.0165633700000000 ] - [ -0.0018494500000000, 0.0000000000000000, -0.0054636700000000 ] - [ -0.0069862500000000, -0.0003584000000000, -0.0014505700000000 ] - [ -0.0069862500000000, 0.0003584000000000, -0.0014505700000000 ] - [ 0.0141572200000000, 0.0001471500000000, -0.0090411400000000 ] - [ 0.0141572200000000, -0.0001471500000000, -0.0090411400000000 ] - [ -0.0013439600000000, 0.0008308500000000, 0.0168934800000000 ] - [ -0.0013439600000000, -0.0008308500000000, 0.0168934800000000 ] - [ -0.0067016500000000, 0.0000000000000000, -0.0062394700000000 ] - [ -0.0063312600000000, 0.0000000000000000, -0.0058324200000000 ] - [ -0.0238152900000000, 0.0415265100000000, 0.0014799500000000 ] - [ -0.0238152900000000, -0.0415265100000000, 0.0014799500000000 ] - [ 0.0150486700000000, 0.0000000000000000, 0.0182068500000000 ] - [ 0.0112520800000000, 0.0000000000000000, 0.0067001000000000 ] - [ -0.0106021600000000, 0.0001460300000000, 0.0023188800000000 ] - [ -0.0106021600000000, -0.0001460300000000, 0.0023188800000000 ] - [ -0.0051889700000000, 0.0000000000000000, -0.0033408300000000 ] - [ -0.0046991400000000, 0.0000000000000000, -0.0033645700000000 ] - [ -0.0095051900000000, 0.0000000000000000, -0.0067657700000000 ] - [ -0.0077361800000000, 0.0000000000000000, -0.0055604300000000 ] - [ -0.0000789400000000, -0.0041116000000000, 0.0146110300000000 ] - [ -0.0000789400000000, 0.0041116000000000, 0.0146110300000000 ] - [ -0.0155300400000000, 0.0000000000000000, -0.0007462600000000 ] - [ -0.0105600900000000, 0.0000000000000000, 0.0001612700000000 ] - [ -0.0000894600000000, -0.0001543400000000, -0.0043035700000000 ] - [ -0.0000894600000000, 0.0001543400000000, -0.0043035700000000 ] - [ -0.0968525500000000, 0.0000000000000000, -0.0016907000000000 ] - [ 0.0042413500000000, 0.0000000000000000, -0.0008427500000000 ] - [ -0.0006598400000000, 0.0001069000000000, 0.0016178700000000 ] - [ -0.0006598400000000, -0.0001069000000000, 0.0016178700000000 ] - [ 0.0066912300000000, 0.0004435400000000, 0.0023694800000000 ] - [ 0.0066912300000000, -0.0004435400000000, 0.0023694800000000 ] - [ 0.0011722500000000, 0.0000120100000000, 0.0053428700000000 ] - [ 0.0011722500000000, -0.0000120100000000, 0.0053428700000000 ] - [ -0.0097143700000000, 0.0000000000000000, -0.0036010300000000 ] - [ -0.0020352000000000, 0.0000000000000000, 0.0033087000000000 ] - [ 0.0065235800000000, 0.0000000000000000, 0.0016677800000000 ] - [ 0.0049685200000000, 0.0000000000000000, 0.0007958400000000 ] - [ -0.0976262700000000, 0.0000000000000000, 0.0138374900000000 ] - [ -0.0216263000000000, 0.0000000000000000, -0.0002734200000000 ] - [ -0.0011065600000000, -0.0019300300000000, 0.0060102200000000 ] - [ -0.0011065600000000, 0.0019300300000000, 0.0060102200000000 ] - [ 0.0008280400000000, 0.0000000000000000, 0.0043385200000000 ] - [ 0.0006694200000000, 0.0000000000000000, 0.0036878600000000 ] - [ 0.0028809000000000, 0.0016399600000000, 0.0022326800000000 ] - [ 0.0028809000000000, -0.0016399600000000, 0.0022326800000000 ] - [ -0.0231514500000000, 0.0058695700000000, -0.0013205400000000 ] - [ -0.0231514500000000, -0.0058695700000000, -0.0013205400000000 ] - [ -0.0003565100000000, 0.0000000000000000, 0.0020164900000000 ] - [ -0.0007008000000000, 0.0000000000000000, 0.0017501200000000 ] - [ 0.0129980700000000, 0.0000000000000000, -0.0011416300000000 ] - [ -0.0022896100000000, 0.0000000000000000, -0.0004318600000000 ] - [ 0.0033794700000000, 0.0000002000000000, 0.0033407600000000 ] - [ 0.0033794700000000, -0.0000002000000000, 0.0033407600000000 ] - [ -0.0202986300000000, 0.0000000000000000, 0.0040276900000000 ] - [ -0.0026517700000000, 0.0000000000000000, -0.0057891600000000 ] - [ 0.0111659800000000, -0.0015978400000000, 0.0025967300000000 ] - [ 0.0111659800000000, 0.0015978400000000, 0.0025967300000000 ] - [ 0.0045358100000000, 0.0000000000000000, 0.0003427300000000 ] - [ 0.0043473600000000, 0.0000000000000000, 0.0003264900000000 ] - [ -0.0125722400000000, 0.0000000000000000, -0.0008520100000000 ] - [ -0.0061474600000000, 0.0000000000000000, 0.0000208000000000 ] - [ 0.0021315400000000, 0.0000000000000000, -0.0012014200000000 ] - [ 0.0020741800000000, 0.0000000000000000, -0.0012683200000000 ] - [ 0.0010659500000000, -0.0027844400000000, -0.0155768500000000 ] - [ 0.0010659500000000, 0.0027844400000000, -0.0155768500000000 ] - [ -0.0068615800000000, -0.0010997100000000, -0.0029021500000000 ] - [ -0.0068615800000000, 0.0010997100000000, -0.0029021500000000 ] - [ 0.0006983900000000, -0.0000300800000000, 0.0000812000000000 ] - [ 0.0006983900000000, 0.0000300800000000, 0.0000812000000000 ] - [ -0.0001850500000000, 0.0000000000000000, 0.0036303000000000 ] - [ 0.0000893000000000, 0.0000000000000000, 0.0028063200000000 ] - [ 0.0033449900000000, 0.0000000000000000, -0.0018921100000000 ] - [ 0.0028826100000000, 0.0000000000000000, -0.0011918400000000 ] - [ 0.0000978800000000, 0.0000000000000000, -0.0065167800000000 ] - [ 0.0003505700000000, 0.0000000000000000, -0.0046447300000000 ] - [ 0.0016335500000000, 0.0001816300000000, 0.0014316300000000 ] - [ 0.0016335500000000, -0.0001816300000000, 0.0014316300000000 ] - [ 0.0028444800000000, 0.0000033800000000, -0.0013835500000000 ] - [ 0.0028444800000000, -0.0000033800000000, -0.0013835500000000 ] - [ 0.0062471900000000, 0.0000205200000000, 0.0003838700000000 ] - [ 0.0062471900000000, -0.0000205200000000, 0.0003838700000000 ] - [ 0.0019567400000000, 0.0000000000000000, -0.0010818600000000 ] - [ 0.0010680100000000, 0.0000000000000000, -0.0006396900000000 ] - [ -0.0003307700000000, 0.0000759600000000, -0.0109130000000000 ] - [ -0.0003307700000000, -0.0000759600000000, -0.0109130000000000 ] - [ 0.0036478700000000, 0.0000000000000000, -0.0002850800000000 ] - [ 0.0036335100000000, 0.0000000000000000, -0.0002566200000000 ] - [ 0.0026783500000000, 0.0000000000000000, 0.0004140400000000 ] - [ 0.0018547200000000, 0.0000000000000000, 0.0005117200000000 ] - [ -0.0020629500000000, 0.0007521200000000, -0.0014632700000000 ] - [ -0.0020629500000000, -0.0007521200000000, -0.0014632700000000 ] - [ 0.0063099400000000, 0.0009865400000000, -0.0014023100000000 ] - [ 0.0063099400000000, -0.0009865400000000, -0.0014023100000000 ] - [ 0.0044728600000000, 0.0000000000000000, -0.0047027600000000 ] - [ 0.0018423900000000, 0.0000000000000000, -0.0007138100000000 ] - [ 0.0011047300000000, 0.0000514700000000, 0.0024810100000000 ] - [ 0.0011047300000000, -0.0000514700000000, 0.0024810100000000 ] - [ 0.0192587400000000, 0.0000000000000000, -0.0034811300000000 ] - [ 0.0084336300000000, 0.0000000000000000, -0.0003232100000000 ] - [ -0.0080274500000000, 0.0017385000000000, -0.0029498700000000 ] - [ -0.0080274500000000, -0.0017385000000000, -0.0029498700000000 ] - [ 0.0017470300000000, 0.0000077400000000, 0.0001500400000000 ] - [ 0.0017470300000000, -0.0000077400000000, 0.0001500400000000 ] - [ 0.0055114200000000, 0.0208529500000000, -0.0099062100000000 ] - [ 0.0055114200000000, -0.0208529500000000, -0.0099062100000000 ] - [ 0.0007052100000000, 0.0000000000000000, 0.0030585200000000 ] - [ 0.0003556400000000, 0.0000000000000000, 0.0017856000000000 ] - [ -0.0031133300000000, 0.0000000000000000, 0.0000376400000000 ] - [ -0.0033876000000000, 0.0000000000000000, -0.0000251400000000 ] - [ 0.0062246700000000, 0.0000000000000000, 0.0240947200000000 ] - [ -0.0000781500000000, 0.0000000000000000, 0.0043842700000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007113300000000, -0.0000032100000000, -0.0032422700000000 ] - [ 0.0051730900000000, -0.0000058400000000, 0.0009372700000000 ] - [ -0.0040750500000000, -0.0000201200000000, -0.0018769600000000 ] - [ -0.0029670400000000, -0.0000173600000000, 0.0018145000000000 ] - [ -0.0026249700000000, -0.1582256000000000, -0.0012013200000000 ] - [ -0.0013761800000000, 0.0745576300000000, -0.0000360600000000 ] - [ 0.0021989400000000, -0.0005893300000000, -0.0011551600000000 ] - [ 0.0021965700000000, 0.0005890200000000, -0.0011677600000000 ] - [ -0.0034508700000000, -0.0002497300000000, -0.0000005700000000 ] - [ -0.0034961500000000, 0.0002266400000000, -0.0000399400000000 ] - [ -0.0016703600000000, 0.0000012500000000, -0.0001148300000000 ] - [ -0.0009561500000000, -0.0000019700000000, 0.0000730800000000 ] - [ -0.0025338900000000, 0.0010012200000000, -0.0313551300000000 ] - [ 0.0014086800000000, 0.0010521700000000, 0.0280897000000000 ] - [ -0.0029602400000000, 0.0000418600000000, 0.0027623200000000 ] - [ -0.0037636200000000, 0.0000108100000000, -0.0044694600000000 ] - [ -0.0011453000000000, -0.0010555500000000, -0.0021830800000000 ] - [ -0.0011452000000000, 0.0010459900000000, -0.0021849800000000 ] - [ -0.0420550600000000, 0.0015426400000000, 0.0008056400000000 ] - [ 0.0347659500000000, 0.0016036200000000, 0.0028291100000000 ] - [ 0.0035962200000000, -0.0027258000000000, 0.0001163100000000 ] - [ 0.0036050800000000, 0.0017639700000000, -0.0003460000000000 ] - [ -0.0037781900000000, -0.0000103600000000, 0.0027359500000000 ] - [ 0.0020966200000000, -0.0000126200000000, 0.0026589500000000 ] - [ -0.0004845900000000, -0.0000829700000000, -0.0018086500000000 ] - [ -0.0004889500000000, 0.0000719300000000, -0.0018155000000000 ] - [ -0.0032437800000000, -0.0001526300000000, -0.0007698300000000 ] - [ -0.0032537000000000, 0.0001519300000000, -0.0007721400000000 ] - [ 0.0030051300000000, 0.0000846500000000, -0.0028567300000000 ] - [ -0.0055337800000000, 0.0000576400000000, -0.0016408000000000 ] - [ -0.0038665900000000, -0.0000982800000000, 0.0018832800000000 ] - [ -0.0038763700000000, 0.0000950000000000, 0.0018820400000000 ] - [ 0.0030459400000000, 0.0000002400000000, -0.0009352300000000 ] - [ 0.0042119800000000, -0.0000007700000000, 0.0004269500000000 ] - [ -0.0004972500000000, -0.0028189700000000, 0.0026993700000000 ] - [ -0.0009652700000000, 0.0012483100000000, 0.0027099400000000 ] - [ 0.0004980500000000, 0.0001984600000000, 0.0070408400000000 ] - [ -0.0007304400000000, 0.0001889900000000, -0.0063904300000000 ] - [ 0.0050824300000000, -0.0000025200000000, 0.0014753500000000 ] - [ 0.0048444400000000, 0.0000017600000000, 0.0014193000000000 ] - [ 0.0008820200000000, -0.0000003400000000, 0.0019834200000000 ] - [ 0.0003594300000000, -0.0000000200000000, -0.0003515000000000 ] - [ 0.0006148500000000, 0.0138666800000000, 0.0007060700000000 ] - [ 0.0006306300000000, -0.0110336100000000, 0.0008852500000000 ] - [ 0.0020275100000000, 0.0000122200000000, 0.0001234200000000 ] - [ 0.0020379800000000, -0.0000137900000000, 0.0001261900000000 ] - [ 0.0001878300000000, 0.0131862200000000, -0.0000323600000000 ] - [ 0.0002470600000000, -0.0045567900000000, -0.0000063600000000 ] - [ 0.0044982200000000, 0.0000526100000000, 0.0042669400000000 ] - [ -0.0059461600000000, 0.0000553800000000, -0.0042243100000000 ] - [ -0.0000757500000000, 0.0000865900000000, -0.0000965600000000 ] - [ -0.0000753400000000, -0.0000867300000000, -0.0000929500000000 ] - [ 0.0031837100000000, -0.0000102100000000, -0.0002234200000000 ] - [ 0.0032968000000000, 0.0000053600000000, -0.0000924500000000 ] - [ 0.0009137200000000, 0.0236906700000000, -0.0016648600000000 ] - [ -0.0008865600000000, 0.0274916700000000, 0.0025697700000000 ] - [ -0.0030781600000000, 0.0017112400000000, 0.0005648400000000 ] - [ -0.0030773300000000, -0.0017188900000000, 0.0005643400000000 ] - [ 0.0037213600000000, 0.0186237600000000, -0.0013814500000000 ] - [ 0.0039311000000000, -0.0136228300000000, -0.0013920100000000 ] - [ 0.0024497800000000, 0.0000012000000000, 0.0026880300000000 ] - [ 0.0005617100000000, 0.0000031300000000, 0.0018204000000000 ] - [ 0.0002038700000000, 0.0170961900000000, 0.0008309600000000 ] - [ 0.0002244200000000, -0.0059780400000000, 0.0006402200000000 ] - [ 0.0090318600000000, 0.0001513400000000, 0.0035426300000000 ] - [ -0.0061753000000000, 0.0001417900000000, -0.0029248200000000 ] - [ 0.0002165500000000, 0.0001045600000000, 0.0000748800000000 ] - [ 0.0002181100000000, -0.0000971500000000, 0.0000752100000000 ] - [ -0.0005474700000000, 0.0003440800000000, -0.0001654000000000 ] - [ -0.0004878000000000, -0.0001707500000000, -0.0001292700000000 ] - [ 0.0000812000000000, 0.0011728200000000, -0.0023538900000000 ] - [ 0.0000808200000000, -0.0011885800000000, -0.0023528600000000 ] - [ 0.0013864400000000, 0.0000108400000000, -0.0057561200000000 ] - [ -0.0019942900000000, 0.0000225800000000, 0.0034928600000000 ] - [ -0.0054883900000000, 0.0000583100000000, -0.0008858000000000 ] - [ -0.0044982000000000, 0.0002513900000000, -0.0006396800000000 ] - [ 0.0000297300000000, 0.0000067100000000, 0.0002265000000000 ] - [ -0.0004363000000000, 0.0000053700000000, 0.0001385400000000 ] - [ -0.0001246900000000, 0.0000102800000000, 0.0003471500000000 ] - [ -0.0001215500000000, -0.0000117700000000, 0.0003548100000000 ] - [ 0.0050184000000000, 0.0017221300000000, 0.0014487400000000 ] - [ 0.0049957300000000, -0.0017219400000000, 0.0014637800000000 ] - [ 0.0006286600000000, 0.0000824800000000, 0.0007856800000000 ] - [ 0.0006240600000000, -0.0001735900000000, 0.0008240400000000 ] - [ 0.0006396800000000, -0.0000012700000000, 0.0009566100000000 ] - [ 0.0005912800000000, 0.0000040400000000, 0.0008528700000000 ] - [ 0.0027736600000000, 0.0000059900000000, -0.0001844200000000 ] - [ 0.0014188700000000, 0.0000049700000000, 0.0004440400000000 ] - [ 0.0008386700000000, -0.0000005900000000, 0.0001514800000000 ] - [ -0.0006442900000000, -0.0000003100000000, -0.0001884400000000 ] - [ -0.0006961500000000, 0.0000536500000000, 0.0000486200000000 ] - [ -0.0006929500000000, -0.0000448800000000, 0.0000497600000000 ] - [ -0.0004600700000000, 0.0000022100000000, 0.0004092200000000 ] - [ 0.0003424700000000, 0.0000063700000000, -0.0005272600000000 ] - [ 0.0032468500000000, 0.0013640500000000, -0.0001551400000000 ] - [ 0.0032474000000000, -0.0013498900000000, -0.0001567300000000 ] - [ -0.0003857700000000, 0.0001534900000000, 0.0001270300000000 ] - [ -0.0003833500000000, -0.0001555900000000, 0.0001280100000000 ] - [ -0.0037487600000000, -0.0000129000000000, 0.0005692500000000 ] - [ -0.0023458100000000, -0.0000037600000000, 0.0005775300000000 ] - [ 0.0039943800000000, -0.0000046900000000, -0.0013854600000000 ] - [ 0.0038789300000000, 0.0000004800000000, -0.0014046700000000 ] - [ 0.0015241300000000, 0.0012450500000000, 0.0022846400000000 ] - [ 0.0015320200000000, -0.0012523000000000, 0.0022720100000000 ] - [ 0.0002936600000000, -0.0000004600000000, 0.0006796300000000 ] - [ 0.0001122100000000, -0.0000000400000000, 0.0004035500000000 ] - [ 0.0014341000000000, 0.0000834400000000, 0.0003297600000000 ] - [ 0.0014554400000000, -0.0000704200000000, 0.0003239900000000 ] - [ -0.0031824600000000, -0.0001409900000000, 0.0024633700000000 ] - [ 0.0038735900000000, -0.0001319500000000, -0.0023329400000000 ] - [ -0.0000231100000000, -0.0000004900000000, 0.0000378400000000 ] - [ -0.0009847000000000, -0.0000026400000000, -0.0003080500000000 ] - [ 0.0000096800000000, 0.0003496100000000, -0.0025889300000000 ] - [ 0.0001148000000000, 0.0005688000000000, -0.0020369900000000 ] - [ -0.0003064800000000, 0.0000199700000000, -0.0012313600000000 ] - [ -0.0003051100000000, -0.0000222900000000, -0.0012306400000000 ] - [ -0.0050448500000000, 0.0004389600000000, -0.0007306000000000 ] - [ -0.0050431100000000, -0.0004389200000000, -0.0007306700000000 ] - [ -0.0002247900000000, 0.0004583100000000, 0.0001249400000000 ] - [ -0.0001991400000000, -0.0001696900000000, 0.0001824900000000 ]- atom: 5 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0051241700000000, 0.0002157300000000, -0.0027009000000000 ] - [ 0.0051241700000000, -0.0002157300000000, -0.0027009000000000 ] - [ -0.0074661500000000, -0.0002454500000000, 0.0058505000000000 ] - [ -0.0074661500000000, 0.0002454500000000, 0.0058505000000000 ] - [ 0.1266295000000000, 0.0000000000000000, -0.2644342600000000 ] - [ 0.0049915300000000, 0.0000000000000000, -0.0117251200000000 ] - [ -0.0006916600000000, 0.0000000000000000, 0.0134929400000000 ] - [ 0.0003102200000000, 0.0000000000000000, 0.0071036200000000 ] - [ 0.0151688500000000, 0.0000000000000000, -0.0092027900000000 ] - [ 0.0023248000000000, 0.0000000000000000, -0.0032688500000000 ] - [ -0.0029506200000000, -0.0000962400000000, 0.0007899100000000 ] - [ -0.0029506200000000, 0.0000962400000000, 0.0007899100000000 ] - [ 0.0092883400000000, -0.0312665700000000, 0.0074989500000000 ] - [ 0.0092883400000000, 0.0312665700000000, 0.0074989500000000 ] - [ -0.0147149600000000, 0.0047707200000000, 0.0110532200000000 ] - [ -0.0147149600000000, -0.0047707200000000, 0.0110532200000000 ] - [ -0.0002501200000000, 0.0000000000000000, -0.0033691500000000 ] - [ -0.0004341000000000, 0.0000000000000000, -0.0031738600000000 ] - [ -0.0097426900000000, 0.0231235100000000, -0.0113150600000000 ] - [ -0.0097426900000000, -0.0231235100000000, -0.0113150600000000 ] - [ 0.0131922600000000, 0.0000000000000000, 0.0930927500000000 ] - [ 0.0098821900000000, 0.0000000000000000, 0.0013046000000000 ] - [ -0.0043610800000000, 0.0000990700000000, 0.0028799500000000 ] - [ -0.0043610800000000, -0.0000990700000000, 0.0028799500000000 ] - [ 0.0005386100000000, 0.0000000000000000, 0.0010453400000000 ] - [ -0.0001800900000000, 0.0000000000000000, -0.0003801800000000 ] - [ -0.0027804900000000, 0.0000000000000000, -0.0029694300000000 ] - [ -0.0023885500000000, 0.0000000000000000, -0.0023030100000000 ] - [ -0.0142011100000000, -0.0025596200000000, 0.0110592000000000 ] - [ -0.0142011100000000, 0.0025596200000000, 0.0110592000000000 ] - [ -0.0097552100000000, 0.0000000000000000, 0.0019924400000000 ] - [ -0.0070783900000000, 0.0000000000000000, 0.0020943900000000 ] - [ 0.0042385700000000, -0.0000499500000000, 0.0002954100000000 ] - [ 0.0042385700000000, 0.0000499500000000, 0.0002954100000000 ] - [ -0.0625052000000000, 0.0000000000000000, -0.0044042200000000 ] - [ -0.0013426600000000, 0.0000000000000000, -0.0028115500000000 ] - [ -0.0003766100000000, 0.0014085100000000, -0.0063104700000000 ] - [ -0.0003766100000000, -0.0014085100000000, -0.0063104700000000 ] - [ 0.0048613200000000, 0.0001468700000000, 0.0016350600000000 ] - [ 0.0048613200000000, -0.0001468700000000, 0.0016350600000000 ] - [ 0.0003708000000000, 0.0000287600000000, 0.0009523700000000 ] - [ 0.0003708000000000, -0.0000287600000000, 0.0009523700000000 ] - [ -0.0089100900000000, 0.0000000000000000, -0.0155436700000000 ] - [ 0.0000152900000000, 0.0000000000000000, 0.0073402800000000 ] - [ -0.0002215300000000, 0.0000000000000000, 0.0010223100000000 ] - [ 0.0002758000000000, 0.0000000000000000, 0.0005563800000000 ] - [ -0.0431430400000000, 0.0000000000000000, 0.0229720000000000 ] - [ -0.0071667900000000, 0.0000000000000000, 0.0015001900000000 ] - [ -0.0084431100000000, 0.0006717400000000, 0.0048441700000000 ] - [ -0.0084431100000000, -0.0006717400000000, 0.0048441700000000 ] - [ -0.0001150900000000, 0.0000000000000000, 0.0008555000000000 ] - [ -0.0001652400000000, 0.0000000000000000, 0.0005654200000000 ] - [ 0.0011091300000000, -0.0009164100000000, 0.0011457500000000 ] - [ 0.0011091300000000, 0.0009164100000000, 0.0011457500000000 ] - [ -0.0107554200000000, -0.0009809400000000, 0.0185845700000000 ] - [ -0.0107554200000000, 0.0009809400000000, 0.0185845700000000 ] - [ -0.0037950800000000, 0.0000000000000000, 0.0012740500000000 ] - [ -0.0037462300000000, 0.0000000000000000, 0.0011316700000000 ] - [ 0.0138160600000000, 0.0000000000000000, 0.0092136800000000 ] - [ -0.0010801100000000, 0.0000000000000000, 0.0008015500000000 ] - [ 0.0013301200000000, -0.0000512100000000, 0.0026757300000000 ] - [ 0.0013301200000000, 0.0000512100000000, 0.0026757300000000 ] - [ -0.0276809600000000, 0.0000000000000000, 0.1523205200000000 ] - [ -0.0006464600000000, 0.0000000000000000, 0.0122816400000000 ] - [ 0.0049674900000000, -0.0009614600000000, 0.0018283300000000 ] - [ 0.0049674900000000, 0.0009614600000000, 0.0018283300000000 ] - [ -0.0008440400000000, 0.0000000000000000, 0.0001083900000000 ] - [ -0.0003718400000000, 0.0000000000000000, 0.0001335100000000 ] - [ -0.0264199300000000, 0.0000000000000000, -0.0076804500000000 ] - [ -0.0063197900000000, 0.0000000000000000, -0.0000491800000000 ] - [ 0.0007787000000000, 0.0000000000000000, -0.0019882200000000 ] - [ 0.0007535300000000, 0.0000000000000000, -0.0019860900000000 ] - [ 0.0022597000000000, -0.0024427800000000, -0.0017510700000000 ] - [ 0.0022597000000000, 0.0024427800000000, -0.0017510700000000 ] - [ -0.0004201600000000, -0.0155921000000000, -0.0075965700000000 ] - [ -0.0004201600000000, 0.0155921000000000, -0.0075965700000000 ] - [ 0.0004353500000000, -0.0000027700000000, -0.0009015800000000 ] - [ 0.0004353500000000, 0.0000027700000000, -0.0009015800000000 ] - [ -0.0017293800000000, 0.0000000000000000, -0.0016876500000000 ] - [ -0.0005793600000000, 0.0000000000000000, -0.0003745800000000 ] - [ 0.0126847000000000, 0.0000000000000000, -0.0038457300000000 ] - [ 0.0064748800000000, 0.0000000000000000, 0.0000129500000000 ] - [ 0.0013569000000000, 0.0000000000000000, -0.0237018200000000 ] - [ 0.0004366800000000, 0.0000000000000000, -0.0092908500000000 ] - [ 0.0005854700000000, -0.0002892500000000, 0.0003987400000000 ] - [ 0.0005854700000000, 0.0002892500000000, 0.0003987400000000 ] - [ 0.0086024000000000, -0.0001222600000000, -0.0017023000000000 ] - [ 0.0086024000000000, 0.0001222600000000, -0.0017023000000000 ] - [ 0.0018579500000000, -0.0000012300000000, 0.0000015700000000 ] - [ 0.0018579500000000, 0.0000012300000000, 0.0000015700000000 ] - [ -0.0013078300000000, 0.0000000000000000, -0.0021814800000000 ] - [ -0.0008275800000000, 0.0000000000000000, -0.0012205800000000 ] - [ 0.0015806400000000, -0.0003257000000000, -0.0113108800000000 ] - [ 0.0015806400000000, 0.0003257000000000, -0.0113108800000000 ] - [ 0.0041086100000000, 0.0000000000000000, -0.0017745100000000 ] - [ 0.0040936400000000, 0.0000000000000000, -0.0016239300000000 ] - [ 0.0006803800000000, 0.0000000000000000, -0.0006057600000000 ] - [ 0.0003166600000000, 0.0000000000000000, -0.0003247300000000 ] - [ 0.0009221300000000, -0.0006845500000000, -0.0016407900000000 ] - [ 0.0009221300000000, 0.0006845500000000, -0.0016407900000000 ] - [ 0.0048085600000000, 0.0004108800000000, -0.0017160400000000 ] - [ 0.0048085600000000, -0.0004108800000000, -0.0017160400000000 ] - [ 0.0060429100000000, 0.0000000000000000, -0.0014569000000000 ] - [ 0.0039311800000000, 0.0000000000000000, 0.0009125100000000 ] - [ 0.0003503200000000, 0.0000131500000000, -0.0000573400000000 ] - [ 0.0003503200000000, -0.0000131500000000, -0.0000573400000000 ] - [ 0.0129758300000000, 0.0000000000000000, -0.0033208200000000 ] - [ 0.0059826700000000, 0.0000000000000000, -0.0007318700000000 ] - [ 0.0085354500000000, 0.0031908400000000, -0.0030981900000000 ] - [ 0.0085354500000000, -0.0031908400000000, -0.0030981900000000 ] - [ -0.0006436900000000, 0.0000136400000000, -0.0005289100000000 ] - [ -0.0006436900000000, -0.0000136400000000, -0.0005289100000000 ] - [ 0.0042227800000000, 0.0118973300000000, -0.0060396200000000 ] - [ 0.0042227800000000, -0.0118973300000000, -0.0060396200000000 ] - [ -0.0000993600000000, 0.0000000000000000, 0.0007730200000000 ] - [ -0.0001810500000000, 0.0000000000000000, -0.0000027300000000 ] - [ -0.0052482900000000, 0.0000000000000000, -0.0007352600000000 ] - [ -0.0052569600000000, 0.0000000000000000, -0.0007580400000000 ] - [ 0.0029724000000000, 0.0000000000000000, 0.0197006000000000 ] - [ -0.0002224500000000, 0.0000000000000000, 0.0056775700000000 ]- atom: 5 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ -0.0007017200000000, -0.0002136200000000, 0.0003433400000000 ] - [ -0.0007017200000000, 0.0002136200000000, 0.0003433400000000 ] - [ 0.0004482500000000, 0.0002424500000000, -0.0059375800000000 ] - [ 0.0004482500000000, -0.0002424500000000, -0.0059375800000000 ] - [ -0.1269504200000000, 0.0000000000000000, 0.2769774700000000 ] - [ -0.0076253600000000, 0.0000000000000000, 0.0117014500000000 ] - [ 0.0050466400000000, 0.0000000000000000, -0.0158256200000000 ] - [ 0.0040573000000000, 0.0000000000000000, -0.0094607700000000 ] - [ -0.0221130000000000, 0.0000000000000000, 0.0090888000000000 ] - [ -0.0093447200000000, 0.0000000000000000, 0.0031580900000000 ] - [ 0.0002702500000000, 0.0000983500000000, -0.0008531000000000 ] - [ 0.0002702500000000, -0.0000983500000000, -0.0008531000000000 ] - [ -0.0102243300000000, 0.0310273000000000, -0.0111575500000000 ] - [ -0.0102243300000000, -0.0310273000000000, -0.0111575500000000 ] - [ 0.0081292200000000, -0.0048096100000000, -0.0126655100000000 ] - [ 0.0081292200000000, 0.0048096100000000, -0.0126655100000000 ] - [ -0.0020906300000000, 0.0000000000000000, -0.0010241900000000 ] - [ -0.0019073400000000, 0.0000000000000000, -0.0012218800000000 ] - [ 0.0018549500000000, -0.0231782400000000, 0.0151362700000000 ] - [ 0.0018549500000000, 0.0231782400000000, 0.0151362700000000 ] - [ -0.0059359200000000, 0.0000000000000000, -0.0938563100000000 ] - [ -0.0026763900000000, 0.0000000000000000, -0.0018555200000000 ] - [ 0.0025714600000000, -0.0000977300000000, 0.0025240500000000 ] - [ 0.0025714600000000, 0.0000977300000000, 0.0025240500000000 ] - [ -0.0015784500000000, 0.0000000000000000, -0.0046821400000000 ] - [ -0.0008637600000000, 0.0000000000000000, -0.0032656900000000 ] - [ -0.0037570400000000, 0.0000000000000000, 0.0013815100000000 ] - [ -0.0041616400000000, 0.0000000000000000, 0.0007142500000000 ] - [ 0.0117059100000000, 0.0025315700000000, -0.0154578800000000 ] - [ 0.0117059100000000, -0.0025315700000000, -0.0154578800000000 ] - [ 0.0019408300000000, 0.0000000000000000, 0.0017384700000000 ] - [ -0.0007385700000000, 0.0000000000000000, 0.0016325800000000 ] - [ 0.0029859400000000, 0.0000505200000000, -0.0008459700000000 ] - [ 0.0029859400000000, -0.0000505200000000, -0.0008459700000000 ] - [ 0.0605411000000000, 0.0000000000000000, 0.0097299200000000 ] - [ -0.0004245000000000, 0.0000000000000000, 0.0081910100000000 ] - [ 0.0001323800000000, -0.0014111500000000, 0.0070749900000000 ] - [ 0.0001323800000000, 0.0014111500000000, 0.0070749900000000 ] - [ 0.0050842100000000, -0.0001499800000000, 0.0012698600000000 ] - [ 0.0050842100000000, 0.0001499800000000, 0.0012698600000000 ] - [ 0.0008772200000000, -0.0000288800000000, 0.0007077500000000 ] - [ 0.0008772200000000, 0.0000288800000000, 0.0007077500000000 ] - [ 0.0101094000000000, 0.0000000000000000, 0.0179644100000000 ] - [ 0.0012237100000000, 0.0000000000000000, -0.0054649400000000 ] - [ 0.0043188100000000, 0.0000000000000000, -0.0007625300000000 ] - [ 0.0038397800000000, 0.0000000000000000, -0.0002961500000000 ] - [ 0.0409251700000000, 0.0000000000000000, -0.0234823600000000 ] - [ 0.0073582100000000, 0.0000000000000000, -0.0015180600000000 ] - [ 0.0070472900000000, -0.0006480400000000, -0.0047211800000000 ] - [ 0.0070472900000000, 0.0006480400000000, -0.0047211800000000 ] - [ -0.0000212500000000, 0.0000000000000000, -0.0010137700000000 ] - [ 0.0000288300000000, 0.0000000000000000, -0.0007180700000000 ] - [ 0.0053855400000000, 0.0009073800000000, -0.0014434700000000 ] - [ 0.0053855400000000, -0.0009073800000000, -0.0014434700000000 ] - [ 0.0099194300000000, 0.0011582900000000, -0.0185340400000000 ] - [ 0.0099194300000000, -0.0011582900000000, -0.0185340400000000 ] - [ -0.0023386000000000, 0.0000000000000000, -0.0001343200000000 ] - [ -0.0023845800000000, 0.0000000000000000, 0.0000077600000000 ] - [ -0.0057290500000000, 0.0000000000000000, -0.0122313300000000 ] - [ 0.0090265200000000, 0.0000000000000000, -0.0035901700000000 ] - [ 0.0017041200000000, 0.0000498600000000, 0.0018443200000000 ] - [ 0.0017041200000000, -0.0000498600000000, 0.0018443200000000 ] - [ 0.0283384300000000, 0.0000000000000000, -0.1632517000000000 ] - [ 0.0010755900000000, 0.0000000000000000, -0.0112282700000000 ] - [ -0.0019645300000000, 0.0009598200000000, -0.0011591700000000 ] - [ -0.0019645300000000, -0.0009598200000000, -0.0011591700000000 ] - [ 0.0013194100000000, 0.0000000000000000, 0.0000520700000000 ] - [ 0.0008517900000000, 0.0000000000000000, 0.0000267600000000 ] - [ 0.0252438400000000, 0.0000000000000000, 0.0074388400000000 ] - [ 0.0053348400000000, 0.0000000000000000, -0.0002155600000000 ] - [ -0.0006002600000000, 0.0000000000000000, -0.0027092900000000 ] - [ -0.0005744700000000, 0.0000000000000000, -0.0027093300000000 ] - [ -0.0028855800000000, 0.0024660700000000, -0.0007152200000000 ] - [ -0.0028855800000000, -0.0024660700000000, -0.0007152200000000 ] - [ -0.0096069700000000, 0.0155367000000000, 0.0061752700000000 ] - [ -0.0096069700000000, -0.0155367000000000, 0.0061752700000000 ] - [ -0.0008365200000000, 0.0000022100000000, 0.0012568500000000 ] - [ -0.0008365200000000, -0.0000022100000000, 0.0012568500000000 ] - [ 0.0014842100000000, 0.0000000000000000, 0.0024134100000000 ] - [ 0.0003354600000000, 0.0000000000000000, 0.0011122500000000 ] - [ -0.0027334800000000, 0.0000000000000000, 0.0067817100000000 ] - [ 0.0034970700000000, 0.0000000000000000, 0.0028919900000000 ] - [ -0.0001222400000000, 0.0000000000000000, 0.0252982000000000 ] - [ 0.0008202900000000, 0.0000000000000000, 0.0109569900000000 ] - [ 0.0006505200000000, 0.0002843200000000, 0.0014157100000000 ] - [ 0.0006505200000000, -0.0002843200000000, 0.0014157100000000 ] - [ -0.0044565300000000, 0.0001221200000000, 0.0019577800000000 ] - [ -0.0044565300000000, -0.0001221200000000, 0.0019577800000000 ] - [ -0.0015905500000000, 0.0000008900000000, -0.0000325100000000 ] - [ -0.0015905500000000, -0.0000008900000000, -0.0000325100000000 ] - [ -0.0000354500000000, 0.0000000000000000, 0.0022902800000000 ] - [ -0.0005246300000000, 0.0000000000000000, 0.0013233200000000 ] - [ -0.0017055800000000, 0.0003284100000000, 0.0111556400000000 ] - [ -0.0017055800000000, -0.0003284100000000, 0.0111556400000000 ] - [ 0.0023868000000000, 0.0000000000000000, 0.0014658400000000 ] - [ 0.0024010500000000, 0.0000000000000000, 0.0013156300000000 ] - [ -0.0014303500000000, 0.0000000000000000, 0.0008665200000000 ] - [ -0.0010644300000000, 0.0000000000000000, 0.0005861400000000 ] - [ -0.0070065800000000, 0.0006892800000000, 0.0027802900000000 ] - [ -0.0070065800000000, -0.0006892800000000, 0.0027802900000000 ] - [ 0.0030822700000000, -0.0004154000000000, -0.0010758000000000 ] - [ 0.0030822700000000, 0.0004154000000000, -0.0010758000000000 ] - [ -0.0029637000000000, 0.0000000000000000, 0.0059723800000000 ] - [ -0.0008714200000000, 0.0000000000000000, 0.0036197700000000 ] - [ 0.0000622600000000, -0.0000137200000000, 0.0011789400000000 ] - [ 0.0000622600000000, 0.0000137200000000, 0.0011789400000000 ] - [ -0.0100300500000000, 0.0000000000000000, 0.0039781600000000 ] - [ -0.0030108100000000, 0.0000000000000000, 0.0013864600000000 ] - [ -0.0079665400000000, -0.0031424900000000, 0.0032247500000000 ] - [ -0.0079665400000000, 0.0031424900000000, 0.0032247500000000 ] - [ -0.0003514400000000, -0.0000141600000000, 0.0002607200000000 ] - [ -0.0003514400000000, 0.0000141600000000, 0.0002607200000000 ] - [ -0.0040227200000000, -0.0119044000000000, 0.0013737300000000 ] - [ -0.0040227200000000, 0.0119044000000000, 0.0013737300000000 ] - [ -0.0004997900000000, 0.0000000000000000, -0.0032042800000000 ] - [ -0.0004183700000000, 0.0000000000000000, -0.0024269500000000 ] - [ -0.0048255500000000, 0.0000000000000000, -0.0007196000000000 ] - [ -0.0048131500000000, 0.0000000000000000, -0.0006969200000000 ] - [ -0.0033503700000000, 0.0000000000000000, -0.0193535000000000 ] - [ -0.0001786000000000, 0.0000000000000000, -0.0053057500000000 ]- atom: 13 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0626368800000000, 0.0000000000000000, 0.0185566600000000 ] - [ -0.0014361500000000, 0.0000000000000000, -0.0014465700000000 ] - [ -0.0165110500000000, 0.0000000000000000, 0.0039866200000000 ] - [ -0.0101500900000000, 0.0000000000000000, -0.0032332500000000 ] - [ -0.0160101900000000, -0.0019440800000000, 0.0027884400000000 ] - [ -0.0160101900000000, 0.0019440800000000, 0.0027884400000000 ] - [ 0.0130503700000000, -0.0045515300000000, -0.0006183800000000 ] - [ 0.0130503700000000, 0.0045515300000000, -0.0006183800000000 ] - [ 0.0011272100000000, -0.0000399400000000, 0.0047786600000000 ] - [ 0.0011272100000000, 0.0000399400000000, 0.0047786600000000 ] - [ 0.0033274400000000, 0.0000000000000000, 0.0038885800000000 ] - [ 0.0028260700000000, 0.0000000000000000, 0.0027716200000000 ] - [ -0.2017840900000000, 0.0000000000000000, -0.0248678000000000 ] - [ -0.0239805200000000, 0.0000000000000000, -0.0031590000000000 ] - [ -0.0093041900000000, 0.0000000000000000, -0.0353570700000000 ] - [ -0.0084040500000000, 0.0000000000000000, -0.0156821300000000 ] - [ 0.0108925300000000, 0.0024435400000000, -0.0011772000000000 ] - [ 0.0108925300000000, -0.0024435400000000, -0.0011772000000000 ] - [ -0.0106090900000000, 0.0000000000000000, -0.0597053900000000 ] - [ -0.0080673900000000, 0.0000000000000000, -0.0074499500000000 ] - [ 0.0046600000000000, -0.0008887200000000, -0.0060167300000000 ] - [ 0.0046600000000000, 0.0008887200000000, -0.0060167300000000 ] - [ 0.0052277900000000, 0.0000000000000000, -0.0003821500000000 ] - [ 0.0014423900000000, 0.0000000000000000, 0.0002209800000000 ] - [ 0.0095311900000000, 0.0000900200000000, -0.0000213900000000 ] - [ 0.0095311900000000, -0.0000900200000000, -0.0000213900000000 ] - [ 0.0032580800000000, 0.0006830600000000, 0.0061459000000000 ] - [ 0.0032580800000000, -0.0006830600000000, 0.0061459000000000 ] - [ 0.0955822800000000, 0.0000000000000000, -0.0161914900000000 ] - [ -0.0034810000000000, 0.0000000000000000, -0.0058561800000000 ] - [ 0.0039052300000000, -0.0000441800000000, 0.0081606600000000 ] - [ 0.0039052300000000, 0.0000441800000000, 0.0081606600000000 ] - [ 0.0071255600000000, 0.0000000000000000, 0.0185445200000000 ] - [ 0.0039434900000000, 0.0000000000000000, 0.0067419600000000 ] - [ 0.0029496700000000, -0.0044409700000000, 0.0115333300000000 ] - [ 0.0029496700000000, 0.0044409700000000, 0.0115333300000000 ] - [ 0.0202721400000000, 0.0000000000000000, 0.0223520700000000 ] - [ 0.0030674300000000, 0.0000000000000000, 0.0037859900000000 ] - [ 0.0024089100000000, 0.0000000000000000, -0.0002126000000000 ] - [ 0.0034194200000000, 0.0000000000000000, 0.0002488500000000 ] - [ -0.0028569500000000, 0.0000000000000000, -0.0209512000000000 ] - [ 0.0005327100000000, 0.0000000000000000, -0.0045354400000000 ] - [ 0.0113727000000000, -0.0109986500000000, 0.0066081300000000 ] - [ 0.0113727000000000, 0.0109986500000000, 0.0066081300000000 ] - [ -0.0029731800000000, -0.0000186500000000, -0.0006450900000000 ] - [ -0.0029731800000000, 0.0000186500000000, -0.0006450900000000 ] - [ 0.0053965500000000, 0.0018364900000000, -0.0033094300000000 ] - [ 0.0053965500000000, -0.0018364900000000, -0.0033094300000000 ] - [ 0.0268410100000000, 0.0000000000000000, 0.0008106100000000 ] - [ 0.0100878600000000, 0.0000000000000000, 0.0009610300000000 ] - [ -0.0016498500000000, -0.0002942500000000, -0.0044632100000000 ] - [ -0.0016498500000000, 0.0002942500000000, -0.0044632100000000 ] - [ 0.0023003500000000, 0.0000000000000000, -0.0012500300000000 ] - [ 0.0023036400000000, 0.0000000000000000, -0.0012323500000000 ] - [ 0.0152767400000000, 0.0000000000000000, -0.0004735800000000 ] - [ 0.0042118600000000, 0.0000000000000000, 0.0008121100000000 ] - [ -0.0112375400000000, -0.0119072300000000, 0.0007788400000000 ] - [ -0.0112375400000000, 0.0119072300000000, 0.0007788400000000 ] - [ 0.0089363000000000, -0.0072441600000000, 0.0034131700000000 ] - [ 0.0089363000000000, 0.0072441600000000, 0.0034131700000000 ] - [ -0.0056914300000000, 0.0000000000000000, 0.0036622200000000 ] - [ -0.0005320400000000, 0.0000000000000000, 0.0030454800000000 ] - [ 0.0015577000000000, 0.0000443100000000, 0.0027751900000000 ] - [ 0.0015577000000000, -0.0000443100000000, 0.0027751900000000 ] - [ -0.0027235100000000, 0.0000000000000000, 0.0089354000000000 ] - [ 0.0029659500000000, 0.0000000000000000, 0.0029777000000000 ] - [ -0.0084281900000000, -0.0001965900000000, 0.0002977900000000 ] - [ -0.0084281900000000, 0.0001965900000000, 0.0002977900000000 ] - [ -0.0028687400000000, 0.0000284700000000, -0.0001430600000000 ] - [ -0.0028687400000000, -0.0000284700000000, -0.0001430600000000 ] - [ -0.0010744800000000, -0.0009997100000000, -0.0014263500000000 ] - [ -0.0010744800000000, 0.0009997100000000, -0.0014263500000000 ] - [ 0.0008896900000000, 0.0000000000000000, 0.0240939700000000 ] - [ -0.0000711700000000, 0.0000000000000000, 0.0102695300000000 ] - [ -0.0054163400000000, 0.0000000000000000, 0.0014593800000000 ] - [ -0.0042045900000000, 0.0000000000000000, 0.0004873000000000 ] - [ 0.0001193500000000, 0.0000000000000000, 0.0024502700000000 ] - [ 0.0001987100000000, 0.0000000000000000, 0.0020067400000000 ] - [ -0.0012154700000000, 0.0000016400000000, -0.0021836500000000 ] - [ -0.0012154700000000, -0.0000016400000000, -0.0021836500000000 ] - [ 0.0055524200000000, 0.0017341900000000, 0.0050539100000000 ] - [ 0.0055524200000000, -0.0017341900000000, 0.0050539100000000 ] - [ -0.0004870000000000, 0.0006446900000000, 0.0054343200000000 ] - [ -0.0004870000000000, -0.0006446900000000, 0.0054343200000000 ] - [ -0.0013273800000000, 0.0000000000000000, -0.0001328000000000 ] - [ -0.0012375400000000, 0.0000000000000000, 0.0000975700000000 ] - [ 0.0113944700000000, 0.0000000000000000, 0.0030801700000000 ] - [ 0.0073015300000000, 0.0000000000000000, 0.0017393400000000 ] - [ -0.0038394300000000, 0.0000000000000000, -0.0001743000000000 ] - [ -0.0030880500000000, 0.0000000000000000, -0.0000158800000000 ] - [ -0.0087167800000000, 0.0002583200000000, -0.0020959400000000 ] - [ -0.0087167800000000, -0.0002583200000000, -0.0020959400000000 ] - [ -0.0044567000000000, 0.0000000000000000, 0.0346680100000000 ] - [ 0.0002916700000000, 0.0000000000000000, 0.0089098000000000 ] - [ 0.0053771300000000, -0.0013953800000000, -0.0001821000000000 ] - [ 0.0053771300000000, 0.0013953800000000, -0.0001821000000000 ] - [ -0.0031768600000000, -0.0002371800000000, -0.0008310800000000 ] - [ -0.0031768600000000, 0.0002371800000000, -0.0008310800000000 ] - [ -0.0178313300000000, 0.0000000000000000, 0.0000449800000000 ] - [ -0.0059496800000000, 0.0000000000000000, 0.0005755000000000 ] - [ 0.0014737600000000, 0.0000000000000000, -0.0022036800000000 ] - [ 0.0017302700000000, 0.0000000000000000, -0.0020998300000000 ] - [ -0.0050922400000000, 0.0151560200000000, -0.0015409700000000 ] - [ -0.0050922400000000, -0.0151560200000000, -0.0015409700000000 ] - [ -0.0008606100000000, 0.0000000000000000, -0.0056535800000000 ] - [ -0.0003781600000000, 0.0000000000000000, -0.0032435600000000 ] - [ -0.0053903400000000, 0.0005864300000000, -0.0024495600000000 ] - [ -0.0053903400000000, -0.0005864300000000, -0.0024495600000000 ] - [ 0.0253047300000000, 0.0000000000000000, 0.0088519000000000 ] - [ 0.0093354800000000, 0.0000000000000000, -0.0001260200000000 ] - [ 0.0029798300000000, 0.0000000000000000, -0.0025418400000000 ] - [ 0.0022293000000000, 0.0000000000000000, -0.0004556600000000 ] - [ -0.0036939300000000, 0.0000000000000000, -0.0108124600000000 ] - [ -0.0004254900000000, 0.0000000000000000, -0.0043253500000000 ] - [ -0.0011137900000000, -0.0000693000000000, -0.0067201600000000 ] - [ -0.0011137900000000, 0.0000693000000000, -0.0067201600000000 ] - [ -0.0073290300000000, -0.0022141000000000, -0.0025760800000000 ] - [ -0.0073290300000000, 0.0022141000000000, -0.0025760800000000 ] - [ -0.0011717800000000, 0.0001204400000000, -0.0050008300000000 ] - [ -0.0011717800000000, -0.0001204400000000, -0.0050008300000000 ]- atom: 13 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ -0.0576386300000000, 0.0000000000000000, -0.0209026100000000 ] - [ 0.0057290700000000, 0.0000000000000000, -0.0009403000000000 ] - [ 0.0094687500000000, 0.0000000000000000, -0.0046224300000000 ] - [ 0.0031310800000000, 0.0000000000000000, 0.0030845000000000 ] - [ 0.0133963000000000, 0.0019983200000000, -0.0026925400000000 ] - [ 0.0133963000000000, -0.0019983200000000, -0.0026925400000000 ] - [ -0.0087113400000000, 0.0045781000000000, -0.0017349100000000 ] - [ -0.0087113400000000, -0.0045781000000000, -0.0017349100000000 ] - [ -0.0081597000000000, 0.0000444400000000, -0.0049072700000000 ] - [ -0.0081597000000000, -0.0000444400000000, -0.0049072700000000 ] - [ -0.0060216200000000, 0.0000000000000000, -0.0039873400000000 ] - [ -0.0055357500000000, 0.0000000000000000, -0.0028697500000000 ] - [ 0.2018439400000000, 0.0000000000000000, 0.0235100200000000 ] - [ 0.0229545500000000, 0.0000000000000000, -0.0004983100000000 ] - [ 0.0028188200000000, 0.0000000000000000, 0.0338038200000000 ] - [ 0.0018834600000000, 0.0000000000000000, 0.0141186500000000 ] - [ -0.0132539700000000, -0.0024304400000000, -0.0032405500000000 ] - [ -0.0132539700000000, 0.0024304400000000, -0.0032405500000000 ] - [ 0.0028670100000000, 0.0000000000000000, 0.0630811900000000 ] - [ 0.0002400400000000, 0.0000000000000000, 0.0112605200000000 ] - [ 0.0025643700000000, 0.0008917600000000, 0.0054783200000000 ] - [ 0.0025643700000000, -0.0008917600000000, 0.0054783200000000 ] - [ -0.0069964500000000, 0.0000000000000000, 0.0057260600000000 ] - [ -0.0032405700000000, 0.0000000000000000, 0.0051333700000000 ] - [ -0.0105951000000000, -0.0000914000000000, -0.0036484800000000 ] - [ -0.0105951000000000, 0.0000914000000000, -0.0036484800000000 ] - [ -0.0098649500000000, -0.0006839400000000, -0.0077471800000000 ] - [ -0.0098649500000000, 0.0006839400000000, -0.0077471800000000 ] - [ -0.0992003400000000, 0.0000000000000000, 0.0118094500000000 ] - [ 0.0012853600000000, 0.0000000000000000, 0.0014775500000000 ] - [ -0.0117629200000000, 0.0000407300000000, -0.0044560800000000 ] - [ -0.0117629200000000, -0.0000407300000000, -0.0044560800000000 ] - [ -0.0000441400000000, 0.0000000000000000, -0.0190699400000000 ] - [ 0.0032045700000000, 0.0000000000000000, -0.0073229000000000 ] - [ -0.0047394900000000, 0.0044885800000000, -0.0061806000000000 ] - [ -0.0047394900000000, -0.0044885800000000, -0.0061806000000000 ] - [ -0.0208751400000000, 0.0000000000000000, -0.0227299800000000 ] - [ -0.0032865400000000, 0.0000000000000000, -0.0030134700000000 ] - [ 0.0075588200000000, 0.0000000000000000, 0.0031188700000000 ] - [ 0.0065438700000000, 0.0000000000000000, 0.0026583700000000 ] - [ 0.0040597400000000, 0.0000000000000000, 0.0225910300000000 ] - [ 0.0007257900000000, 0.0000000000000000, 0.0062303900000000 ] - [ -0.0098708100000000, 0.0103803100000000, -0.0046244900000000 ] - [ -0.0098708100000000, -0.0103803100000000, -0.0046244900000000 ] - [ 0.0071280100000000, 0.0000183900000000, 0.0009055200000000 ] - [ 0.0071280100000000, -0.0000183900000000, 0.0009055200000000 ] - [ -0.0051946400000000, -0.0018638100000000, 0.0032920200000000 ] - [ -0.0051946400000000, 0.0018638100000000, 0.0032920200000000 ] - [ -0.0232494700000000, 0.0000000000000000, -0.0018532400000000 ] - [ -0.0112442400000000, 0.0000000000000000, -0.0008884200000000 ] - [ 0.0015079400000000, 0.0002932300000000, 0.0043189900000000 ] - [ 0.0015079400000000, -0.0002932300000000, 0.0043189900000000 ] - [ 0.0042118500000000, 0.0000000000000000, 0.0009528700000000 ] - [ 0.0042092900000000, 0.0000000000000000, 0.0009340100000000 ] - [ -0.0160508400000000, 0.0000000000000000, 0.0010668600000000 ] - [ -0.0049745200000000, 0.0000000000000000, -0.0005793100000000 ] - [ 0.0050653400000000, 0.0118282200000000, 0.0003568100000000 ] - [ 0.0050653400000000, -0.0118282200000000, 0.0003568100000000 ] - [ -0.0010163600000000, 0.0072087800000000, -0.0062029500000000 ] - [ -0.0010163600000000, -0.0072087800000000, -0.0062029500000000 ] - [ 0.0087018200000000, 0.0000000000000000, 0.0008663600000000 ] - [ 0.0035830900000000, 0.0000000000000000, 0.0014818600000000 ] - [ -0.0011391200000000, -0.0000559300000000, -0.0016854400000000 ] - [ -0.0011391200000000, 0.0000559300000000, -0.0016854400000000 ] - [ 0.0056953700000000, 0.0000000000000000, -0.0082363100000000 ] - [ 0.0000119200000000, 0.0000000000000000, -0.0023232600000000 ] - [ 0.0089279900000000, 0.0001953300000000, -0.0001423200000000 ] - [ 0.0089279900000000, -0.0001953300000000, -0.0001423200000000 ] - [ 0.0018829000000000, -0.0000285900000000, -0.0001226900000000 ] - [ 0.0018829000000000, 0.0000285900000000, -0.0001226900000000 ] - [ 0.0012523200000000, 0.0009931200000000, -0.0032536700000000 ] - [ 0.0012523200000000, -0.0009931200000000, -0.0032536700000000 ] - [ -0.0014998500000000, 0.0000000000000000, -0.0264530600000000 ] - [ -0.0005402300000000, 0.0000000000000000, -0.0127264600000000 ] - [ -0.0046713200000000, 0.0000000000000000, -0.0029157800000000 ] - [ -0.0058779200000000, 0.0000000000000000, -0.0019435200000000 ] - [ -0.0005211700000000, 0.0000000000000000, -0.0020022900000000 ] - [ -0.0005946000000000, 0.0000000000000000, -0.0016023400000000 ] - [ 0.0009818300000000, -0.0000021500000000, 0.0029463200000000 ] - [ 0.0009818300000000, 0.0000021500000000, 0.0029463200000000 ] - [ 0.0043830600000000, -0.0017366300000000, -0.0021602900000000 ] - [ 0.0043830600000000, 0.0017366300000000, -0.0021602900000000 ] - [ 0.0017423800000000, -0.0006508300000000, -0.0037784000000000 ] - [ 0.0017423800000000, 0.0006508300000000, -0.0037784000000000 ] - [ 0.0025732400000000, 0.0000000000000000, 0.0019579700000000 ] - [ 0.0024833200000000, 0.0000000000000000, 0.0017202400000000 ] - [ -0.0074278700000000, 0.0000000000000000, -0.0027652900000000 ] - [ -0.0032084200000000, 0.0000000000000000, -0.0014759100000000 ] - [ 0.0040946800000000, 0.0000000000000000, 0.0001480000000000 ] - [ 0.0033894000000000, 0.0000000000000000, -0.0000109100000000 ] - [ 0.0073889100000000, -0.0002594500000000, 0.0022081400000000 ] - [ 0.0073889100000000, 0.0002594500000000, 0.0022081400000000 ] - [ 0.0044060900000000, 0.0000000000000000, -0.0348549100000000 ] - [ -0.0004449900000000, 0.0000000000000000, -0.0090691600000000 ] - [ 0.0011305800000000, 0.0014972000000000, -0.0000855800000000 ] - [ 0.0011305800000000, -0.0014972000000000, -0.0000855800000000 ] - [ 0.0024442000000000, 0.0002526600000000, 0.0011032600000000 ] - [ 0.0024442000000000, -0.0002526600000000, 0.0011032600000000 ] - [ 0.0117425000000000, 0.0000000000000000, 0.0010921800000000 ] - [ -0.0001818000000000, 0.0000000000000000, 0.0005620000000000 ] - [ 0.0064358000000000, 0.0000000000000000, -0.0005781600000000 ] - [ 0.0061685800000000, 0.0000000000000000, -0.0006828300000000 ] - [ 0.0081958000000000, -0.0153032300000000, 0.0060729400000000 ] - [ 0.0081958000000000, 0.0153032300000000, 0.0060729400000000 ] - [ 0.0012820000000000, 0.0000000000000000, 0.0067952700000000 ] - [ 0.0007951900000000, 0.0000000000000000, 0.0044169900000000 ] - [ 0.0083956600000000, -0.0005934600000000, 0.0031196500000000 ] - [ 0.0083956600000000, 0.0005934600000000, 0.0031196500000000 ] - [ -0.0305190300000000, 0.0000000000000000, -0.0091942000000000 ] - [ -0.0091259600000000, 0.0000000000000000, 0.0002832400000000 ] - [ -0.0037896500000000, 0.0000000000000000, 0.0023146500000000 ] - [ -0.0031645100000000, 0.0000000000000000, 0.0001967400000000 ] - [ 0.0039214400000000, 0.0000000000000000, 0.0061819400000000 ] - [ 0.0006026700000000, 0.0000000000000000, -0.0003718600000000 ] - [ 0.0005125100000000, 0.0000695200000000, 0.0043072100000000 ] - [ 0.0005125100000000, -0.0000695200000000, 0.0043072100000000 ] - [ -0.0027166500000000, 0.0022200200000000, 0.0011229300000000 ] - [ -0.0027166500000000, -0.0022200200000000, 0.0011229300000000 ] - [ 0.0007761900000000, -0.0001218500000000, 0.0053859900000000 ] - [ 0.0007761900000000, 0.0001218500000000, 0.0053859900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021179400000000, -0.0021641800000000, -0.0011481300000000 ] - [ 0.0022144900000000, 0.0011659700000000, -0.0011718800000000 ] - [ -0.0034886800000000, -0.0035404700000000, -0.0003350100000000 ] - [ -0.0035012800000000, 0.0016919400000000, -0.0000508200000000 ] - [ -0.0015398500000000, 0.0010829600000000, -0.0363825000000000 ] - [ -0.0012192500000000, 0.0009711400000000, 0.0358403000000000 ] - [ 0.0020944700000000, -0.0000174700000000, -0.0014384200000000 ] - [ 0.0022881200000000, -0.0000319900000000, -0.0009448500000000 ] - [ -0.0041180800000000, -0.0000003200000000, -0.0007226800000000 ] - [ -0.0029495700000000, -0.0000048800000000, 0.0005759800000000 ] - [ -0.0013512300000000, -0.0000812000000000, -0.0000485500000000 ] - [ -0.0013560500000000, 0.0000716500000000, -0.0000485400000000 ] - [ -0.0000206300000000, -0.2661773700000000, 0.0005576900000000 ] - [ -0.0005143500000000, 0.1686431000000000, -0.0018587500000000 ] - [ -0.0032126800000000, -0.0008193100000000, -0.0008383800000000 ] - [ -0.0032417500000000, 0.0007501200000000, -0.0008141000000000 ] - [ -0.0009727700000000, 0.0000081300000000, -0.0022404400000000 ] - [ -0.0014209200000000, 0.0000067800000000, -0.0021721900000000 ] - [ -0.0038108300000000, -0.0089371900000000, 0.0019070100000000 ] - [ -0.0038293100000000, 0.0081123100000000, 0.0018716200000000 ] - [ 0.0036980300000000, -0.0000226800000000, -0.0039232400000000 ] - [ 0.0035216100000000, -0.0000197300000000, 0.0032461100000000 ] - [ -0.0008737900000000, -0.0000982000000000, 0.0026719100000000 ] - [ -0.0008803200000000, 0.0000858300000000, 0.0026709500000000 ] - [ -0.0006267100000000, 0.0000190000000000, -0.0019370900000000 ] - [ -0.0004465500000000, 0.0000208100000000, -0.0017428500000000 ] - [ -0.0034361100000000, -0.0000006200000000, -0.0008570000000000 ] - [ -0.0031767900000000, 0.0000014800000000, -0.0007547100000000 ] - [ -0.0011123400000000, -0.0034145500000000, -0.0021972900000000 ] - [ -0.0012039900000000, 0.0022762900000000, -0.0021809000000000 ] - [ -0.0042657900000000, 0.0000015700000000, 0.0017264200000000 ] - [ -0.0035901900000000, 0.0000051700000000, 0.0019827300000000 ] - [ 0.0035444600000000, -0.0003777900000000, -0.0002819600000000 ] - [ 0.0035758100000000, 0.0003134900000000, -0.0002882500000000 ] - [ -0.0055987900000000, -0.0000303300000000, 0.0025303200000000 ] - [ 0.0037100600000000, -0.0000271500000000, 0.0028699500000000 ] - [ -0.0001811000000000, 0.0278110200000000, -0.0000121300000000 ] - [ -0.0001125700000000, -0.0063684400000000, 0.0004277000000000 ] - [ 0.0049852700000000, 0.0000987300000000, 0.0014546200000000 ] - [ 0.0049836600000000, -0.0001009900000000, 0.0014543900000000 ] - [ 0.0006357300000000, 0.0005459100000000, 0.0008106100000000 ] - [ 0.0006250900000000, -0.0004039100000000, 0.0008445400000000 ] - [ -0.0076894600000000, 0.0457454700000000, -0.0230790400000000 ] - [ 0.0084676600000000, 0.0388317800000000, 0.0230546000000000 ] - [ 0.0022673900000000, -0.0000001200000000, 0.0001870600000000 ] - [ 0.0018979400000000, -0.0000003700000000, 0.0000728500000000 ] - [ 0.0062182500000000, -0.0001894600000000, 0.0026417700000000 ] - [ -0.0058317600000000, -0.0001907100000000, -0.0026384000000000 ] - [ -0.0009930600000000, 0.0094617600000000, 0.0000595100000000 ] - [ -0.0006586300000000, -0.0112786400000000, 0.0000189700000000 ] - [ -0.0000742500000000, 0.0000016100000000, -0.0000684700000000 ] - [ -0.0000610500000000, 0.0000011300000000, -0.0000649500000000 ] - [ 0.0032503500000000, 0.0004436000000000, -0.0001463100000000 ] - [ 0.0032501800000000, -0.0004420700000000, -0.0001462700000000 ] - [ -0.0004311500000000, 0.0165921500000000, 0.0003822200000000 ] - [ -0.0003952200000000, -0.0138559800000000, 0.0001527600000000 ] - [ -0.0033439300000000, -0.0000848200000000, 0.0006642100000000 ] - [ -0.0027696300000000, -0.0000857200000000, 0.0004661300000000 ] - [ 0.0001320700000000, -0.0003089300000000, 0.0013287000000000 ] - [ 0.0076748000000000, -0.0003272500000000, -0.0040843200000000 ] - [ 0.0015213300000000, 0.0001390900000000, 0.0022612400000000 ] - [ 0.0015237800000000, -0.0001551200000000, 0.0022620000000000 ] - [ -0.0013575400000000, 0.0002311600000000, 0.0095830200000000 ] - [ 0.0017684300000000, 0.0002441600000000, -0.0083147300000000 ] - [ 0.0014442000000000, 0.0003147500000000, 0.0003167600000000 ] - [ 0.0014511700000000, -0.0001421800000000, 0.0003150300000000 ] - [ 0.0002303200000000, -0.0000061900000000, 0.0001016700000000 ] - [ 0.0002923000000000, -0.0000060100000000, 0.0000523200000000 ] - [ 0.0003085100000000, -0.0000022300000000, 0.0002282800000000 ] - [ -0.0012658300000000, -0.0000023400000000, -0.0004786500000000 ] - [ 0.0000751500000000, 0.0000061200000000, -0.0023140000000000 ] - [ 0.0001002700000000, 0.0000115100000000, -0.0023737000000000 ] - [ -0.0003157900000000, 0.0007356800000000, -0.0011729100000000 ] - [ -0.0003093400000000, -0.0007983800000000, -0.0011935000000000 ] - [ -0.0050471300000000, 0.0013582000000000, -0.0007166200000000 ] - [ -0.0050442300000000, -0.0013622100000000, -0.0007166300000000 ] - [ -0.0002050700000000, 0.0002287000000000, 0.0002290800000000 ] - [ -0.0002027500000000, -0.0000331500000000, 0.0002109800000000 ] - [ -0.0000678400000000, -0.0000015600000000, 0.0005515000000000 ] - [ -0.0001645600000000, -0.0000014100000000, 0.0002187200000000 ] - [ 0.0047038300000000, 0.0000046600000000, 0.0016007700000000 ] - [ 0.0052214900000000, 0.0000004200000000, 0.0013142200000000 ] - [ 0.0004643600000000, 0.0000106000000000, 0.0017998400000000 ] - [ 0.0007828300000000, 0.0000105300000000, -0.0000768300000000 ] - [ 0.0006251700000000, 0.0000901100000000, 0.0009154800000000 ] - [ 0.0006251400000000, -0.0001083600000000, 0.0009123400000000 ] - [ 0.0019828700000000, 0.0003096300000000, 0.0001511000000000 ] - [ 0.0020283400000000, -0.0002652300000000, 0.0001306200000000 ] - [ 0.0001280500000000, 0.0000271200000000, -0.0000141500000000 ] - [ 0.0001470200000000, -0.0000066000000000, -0.0000144900000000 ] - [ -0.0004965500000000, -0.0000139400000000, 0.0000992900000000 ] - [ -0.0008320200000000, -0.0000123200000000, 0.0000105500000000 ] - [ -0.0000780700000000, 0.0006565300000000, -0.0000694000000000 ] - [ -0.0000692800000000, -0.0001705000000000, -0.0000750800000000 ] - [ 0.0032722800000000, 0.0002461500000000, -0.0007320500000000 ] - [ 0.0032022700000000, 0.0000728900000000, 0.0005218900000000 ] - [ -0.0002979000000000, 0.0000088400000000, 0.0001490200000000 ] - [ -0.0004330100000000, -0.0000058200000000, 0.0001241000000000 ] - [ -0.0030475600000000, 0.0004723300000000, 0.0005723600000000 ] - [ -0.0030648200000000, -0.0005986000000000, 0.0005691600000000 ] - [ 0.0039562400000000, 0.0001689200000000, -0.0013917900000000 ] - [ 0.0039518400000000, -0.0001716400000000, -0.0013920300000000 ] - [ 0.0018001700000000, 0.0000624800000000, 0.0020493400000000 ] - [ 0.0012561000000000, 0.0000680400000000, 0.0024502800000000 ] - [ 0.0002128800000000, 0.0000167600000000, 0.0005677800000000 ] - [ 0.0002101900000000, -0.0000149500000000, 0.0005838700000000 ] - [ 0.0021952700000000, 0.0000065100000000, 0.0002013600000000 ] - [ 0.0008156800000000, 0.0000063200000000, 0.0004542100000000 ] - [ 0.0006619300000000, 0.0079717600000000, 0.0000604900000000 ] - [ 0.0002192800000000, -0.0148691800000000, 0.0000566200000000 ] - [ -0.0004225400000000, 0.0002425000000000, -0.0001166600000000 ] - [ -0.0004679500000000, -0.0002024500000000, -0.0001313500000000 ] - [ 0.0000934500000000, 0.0017235900000000, -0.0023608500000000 ] - [ 0.0000958600000000, -0.0018824600000000, -0.0023571900000000 ] - [ -0.0002769700000000, -0.0000008700000000, -0.0011168900000000 ] - [ -0.0003216600000000, -0.0000009400000000, -0.0012939400000000 ] - [ -0.0050365300000000, 0.0000109800000000, -0.0007439400000000 ] - [ -0.0050047100000000, 0.0000051500000000, -0.0007035100000000 ] - [ 0.0002395500000000, 0.0000072500000000, 0.0011672000000000 ] - [ -0.0006308800000000, 0.0000071200000000, -0.0007748500000000 ]- atom: 13 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0320755400000000, 0.0000000000000000, -0.0200859700000000 ] - [ 0.0008235000000000, 0.0000000000000000, -0.0065662600000000 ] - [ -0.0028328500000000, 0.0000000000000000, 0.0590689200000000 ] - [ -0.0020445800000000, 0.0000000000000000, 0.0015018800000000 ] - [ 0.0121611800000000, -0.0245844800000000, 0.0115347600000000 ] - [ 0.0121611800000000, 0.0245844800000000, 0.0115347600000000 ] - [ -0.0024891900000000, 0.0026434100000000, -0.0001901200000000 ] - [ -0.0024891900000000, -0.0026434100000000, -0.0001901200000000 ] - [ -0.0030532500000000, 0.0000160900000000, -0.0000714300000000 ] - [ -0.0030532500000000, -0.0000160900000000, -0.0000714300000000 ] - [ -0.0023566800000000, 0.0000000000000000, 0.0016186000000000 ] - [ -0.0021019600000000, 0.0000000000000000, 0.0007612000000000 ] - [ 0.0781243800000000, 0.0000000000000000, -0.4063827600000000 ] - [ 0.0100886300000000, 0.0000000000000000, -0.0153394400000000 ] - [ -0.0170483700000000, 0.0000000000000000, 0.0239328900000000 ] - [ -0.0087216600000000, 0.0000000000000000, 0.0098644200000000 ] - [ -0.0072108100000000, -0.0013286700000000, -0.0022650400000000 ] - [ -0.0072108100000000, 0.0013286700000000, -0.0022650400000000 ] - [ -0.0332788200000000, 0.0000000000000000, 0.0421094700000000 ] - [ -0.0088775900000000, 0.0000000000000000, 0.0084895300000000 ] - [ 0.0019780100000000, 0.0005867300000000, 0.0106795900000000 ] - [ 0.0019780100000000, -0.0005867300000000, 0.0106795900000000 ] - [ -0.0075886800000000, 0.0000000000000000, 0.0106056300000000 ] - [ -0.0045037700000000, 0.0000000000000000, 0.0084909300000000 ] - [ -0.0039958500000000, 0.0000383800000000, -0.0012309300000000 ] - [ -0.0039958500000000, -0.0000383800000000, -0.0012309300000000 ] - [ -0.0027352200000000, 0.0000402100000000, -0.0036330100000000 ] - [ -0.0027352200000000, -0.0000402100000000, -0.0036330100000000 ] - [ -0.0519016700000000, 0.0000000000000000, -0.0010663400000000 ] - [ 0.0020273200000000, 0.0000000000000000, -0.0042587000000000 ] - [ -0.0048106300000000, 0.0001626600000000, 0.0004802900000000 ] - [ -0.0048106300000000, -0.0001626600000000, 0.0004802900000000 ] - [ 0.0159723700000000, 0.0000000000000000, -0.0095086400000000 ] - [ 0.0088097500000000, 0.0000000000000000, -0.0045552200000000 ] - [ 0.0051681100000000, 0.0023035000000000, -0.0016070700000000 ] - [ 0.0051681100000000, -0.0023035000000000, -0.0016070700000000 ] - [ 0.0141478400000000, 0.0000000000000000, 0.2636935800000000 ] - [ -0.0006948200000000, 0.0000000000000000, 0.0116137000000000 ] - [ 0.0041036700000000, 0.0000000000000000, 0.0021318800000000 ] - [ 0.0043817500000000, 0.0000000000000000, 0.0019657400000000 ] - [ 0.0003580700000000, 0.0000000000000000, 0.0193708700000000 ] - [ 0.0001148400000000, 0.0000000000000000, 0.0080812100000000 ] - [ 0.0001263800000000, -0.0228512200000000, 0.0287866800000000 ] - [ 0.0001263800000000, 0.0228512200000000, 0.0287866800000000 ] - [ 0.0019155000000000, -0.0000146300000000, 0.0004366600000000 ] - [ 0.0019155000000000, 0.0000146300000000, 0.0004366600000000 ] - [ -0.0112662800000000, 0.0004956100000000, 0.0011608000000000 ] - [ -0.0112662800000000, -0.0004956100000000, 0.0011608000000000 ] - [ -0.0248322600000000, 0.0000000000000000, 0.0212903600000000 ] - [ 0.0000450400000000, 0.0000000000000000, 0.0017919300000000 ] - [ 0.0004603600000000, 0.0000928700000000, 0.0022197500000000 ] - [ 0.0004603600000000, -0.0000928700000000, 0.0022197500000000 ] - [ 0.0031681300000000, 0.0000000000000000, -0.0001269700000000 ] - [ 0.0031750100000000, 0.0000000000000000, -0.0001279600000000 ] - [ -0.0020110700000000, 0.0000000000000000, -0.0123281900000000 ] - [ -0.0002169000000000, 0.0000000000000000, 0.0033002500000000 ] - [ 0.0016512500000000, 0.0062171100000000, 0.0012370000000000 ] - [ 0.0016512500000000, -0.0062171100000000, 0.0012370000000000 ] - [ 0.0054635800000000, 0.0075555300000000, -0.0043940700000000 ] - [ 0.0054635800000000, -0.0075555300000000, -0.0043940700000000 ] - [ 0.0063642300000000, 0.0000000000000000, 0.0008757600000000 ] - [ 0.0030707100000000, 0.0000000000000000, 0.0014356200000000 ] - [ -0.0005695200000000, 0.0017459700000000, -0.0101304100000000 ] - [ -0.0005695200000000, -0.0017459700000000, -0.0101304100000000 ] - [ 0.0121099500000000, 0.0000000000000000, -0.0012258700000000 ] - [ 0.0057592000000000, 0.0000000000000000, -0.0003495800000000 ] - [ 0.0038178900000000, 0.0000975500000000, -0.0002359800000000 ] - [ 0.0038178900000000, -0.0000975500000000, -0.0002359800000000 ] - [ -0.0006937000000000, -0.0000373400000000, -0.0010593700000000 ] - [ -0.0006937000000000, 0.0000373400000000, -0.0010593700000000 ] - [ 0.0013157400000000, 0.0003990200000000, -0.0037573300000000 ] - [ 0.0013157400000000, -0.0003990200000000, -0.0037573300000000 ] - [ 0.0015384700000000, 0.0000000000000000, -0.0243018900000000 ] - [ 0.0006484200000000, 0.0000000000000000, -0.0123140500000000 ] - [ -0.0021290900000000, 0.0000000000000000, -0.0033003500000000 ] - [ -0.0034718500000000, 0.0000000000000000, -0.0026048700000000 ] - [ 0.0004986700000000, 0.0000000000000000, -0.0114096100000000 ] - [ -0.0001209500000000, 0.0000000000000000, -0.0058007800000000 ] - [ 0.0000970800000000, -0.0000085800000000, 0.0002490700000000 ] - [ 0.0000970800000000, 0.0000085800000000, 0.0002490700000000 ] - [ 0.0068902300000000, -0.0019542600000000, -0.0010306500000000 ] - [ 0.0068902300000000, 0.0019542600000000, -0.0010306500000000 ] - [ 0.0013856600000000, -0.0003787900000000, -0.0038852900000000 ] - [ 0.0013856600000000, 0.0003787900000000, -0.0038852900000000 ] - [ 0.0012074800000000, 0.0000000000000000, 0.0006317800000000 ] - [ 0.0012006900000000, 0.0000000000000000, 0.0006715900000000 ] - [ 0.0158672200000000, 0.0000000000000000, -0.0076236500000000 ] - [ 0.0072256600000000, 0.0000000000000000, -0.0013601400000000 ] - [ 0.0016205400000000, 0.0000000000000000, -0.0002448400000000 ] - [ 0.0011231200000000, 0.0000000000000000, -0.0002927400000000 ] - [ 0.0019906700000000, -0.0001607800000000, 0.0006188400000000 ] - [ 0.0019906700000000, 0.0001607800000000, 0.0006188400000000 ] - [ 0.0029498100000000, 0.0000000000000000, -0.0136851600000000 ] - [ 0.0002709300000000, 0.0000000000000000, -0.0020224300000000 ] - [ 0.0029957900000000, -0.0100172800000000, -0.0062247300000000 ] - [ 0.0029957900000000, 0.0100172800000000, -0.0062247300000000 ] - [ 0.0000351300000000, -0.0000973600000000, -0.0000748200000000 ] - [ 0.0000351300000000, 0.0000973600000000, -0.0000748200000000 ] - [ 0.0047270600000000, 0.0000000000000000, 0.0012698800000000 ] - [ -0.0018947000000000, 0.0000000000000000, 0.0006225700000000 ] - [ 0.0041571300000000, 0.0000000000000000, -0.0013027900000000 ] - [ 0.0042016400000000, 0.0000000000000000, -0.0012812800000000 ] - [ 0.0047787400000000, -0.0088757200000000, 0.0050322500000000 ] - [ 0.0047787400000000, 0.0088757200000000, 0.0050322500000000 ] - [ -0.0002088600000000, 0.0000000000000000, -0.0008591700000000 ] - [ 0.0000719600000000, 0.0000000000000000, 0.0002285700000000 ] - [ 0.0018288600000000, -0.0003204900000000, 0.0016708700000000 ] - [ 0.0018288600000000, 0.0003204900000000, 0.0016708700000000 ] - [ 0.0003862600000000, 0.0000000000000000, 0.0123460700000000 ] - [ -0.0088668800000000, 0.0000000000000000, 0.0015975500000000 ] - [ -0.0170314200000000, 0.0000000000000000, -0.0032369500000000 ] - [ -0.0068834200000000, 0.0000000000000000, 0.0000054800000000 ] - [ 0.0009714200000000, 0.0000000000000000, 0.0035838900000000 ] - [ -0.0007678400000000, 0.0000000000000000, -0.0001625300000000 ] - [ -0.0003293500000000, -0.0000095100000000, 0.0001586800000000 ] - [ -0.0003293500000000, 0.0000095100000000, 0.0001586800000000 ] - [ -0.0058747600000000, -0.0002370000000000, 0.0000903200000000 ] - [ -0.0058747600000000, 0.0002370000000000, 0.0000903200000000 ] - [ -0.0004559100000000, -0.0000760600000000, 0.0008214100000000 ] - [ -0.0004559100000000, 0.0000760600000000, 0.0008214100000000 ]- atom: 13 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0368698900000000, 0.0000000000000000, 0.0178612600000000 ] - [ 0.0034956900000000, 0.0000000000000000, 0.0041921800000000 ] - [ -0.0041405800000000, 0.0000000000000000, -0.0592527400000000 ] - [ -0.0049804700000000, 0.0000000000000000, -0.0016389900000000 ] - [ -0.0150104400000000, 0.0248416100000000, -0.0115722800000000 ] - [ -0.0150104400000000, -0.0248416100000000, -0.0115722800000000 ] - [ 0.0069156600000000, -0.0026749000000000, -0.0021795200000000 ] - [ 0.0069156600000000, 0.0026749000000000, -0.0021795200000000 ] - [ -0.0039780600000000, -0.0000140200000000, -0.0000393500000000 ] - [ -0.0039780600000000, 0.0000140200000000, -0.0000393500000000 ] - [ -0.0003021200000000, 0.0000000000000000, -0.0016899100000000 ] - [ -0.0005764400000000, 0.0000000000000000, -0.0008415400000000 ] - [ -0.0826282900000000, 0.0000000000000000, 0.3889423700000000 ] - [ -0.0111793400000000, 0.0000000000000000, 0.0116085800000000 ] - [ 0.0104205800000000, 0.0000000000000000, -0.0257157300000000 ] - [ 0.0021506000000000, 0.0000000000000000, -0.0115427000000000 ] - [ 0.0048777000000000, 0.0013433900000000, -0.0021307000000000 ] - [ 0.0048777000000000, -0.0013433900000000, -0.0021307000000000 ] - [ 0.0258317900000000, 0.0000000000000000, -0.0388836200000000 ] - [ 0.0010861600000000, 0.0000000000000000, -0.0047133200000000 ] - [ 0.0052270100000000, -0.0005855300000000, -0.0113199800000000 ] - [ 0.0052270100000000, 0.0005855300000000, -0.0113199800000000 ] - [ 0.0058860300000000, 0.0000000000000000, -0.0052427000000000 ] - [ 0.0027409200000000, 0.0000000000000000, -0.0031192400000000 ] - [ 0.0029790100000000, -0.0000394400000000, -0.0024341000000000 ] - [ 0.0029790100000000, 0.0000394400000000, -0.0024341000000000 ] - [ -0.0038329300000000, -0.0000396600000000, 0.0020601000000000 ] - [ -0.0038329300000000, 0.0000396600000000, 0.0020601000000000 ] - [ 0.0496592500000000, 0.0000000000000000, -0.0034291900000000 ] - [ -0.0043131600000000, 0.0000000000000000, -0.0001685400000000 ] - [ -0.0029953900000000, -0.0001662000000000, 0.0032641300000000 ] - [ -0.0029953900000000, 0.0001662000000000, 0.0032641300000000 ] - [ -0.0088071100000000, 0.0000000000000000, 0.0090360300000000 ] - [ -0.0016197800000000, 0.0000000000000000, 0.0039927200000000 ] - [ -0.0069911300000000, -0.0023113800000000, 0.0070374200000000 ] - [ -0.0069911300000000, 0.0023113800000000, 0.0070374200000000 ] - [ -0.0117761200000000, 0.0000000000000000, -0.2487420100000000 ] - [ 0.0004482500000000, 0.0000000000000000, -0.0107572000000000 ] - [ 0.0058504200000000, 0.0000000000000000, 0.0007686800000000 ] - [ 0.0055729700000000, 0.0000000000000000, 0.0009375500000000 ] - [ 0.0008514100000000, 0.0000000000000000, -0.0178222300000000 ] - [ 0.0011406200000000, 0.0000000000000000, -0.0063960500000000 ] - [ 0.0009741400000000, 0.0229979000000000, -0.0266183500000000 ] - [ 0.0009741400000000, -0.0229979000000000, -0.0266183500000000 ] - [ 0.0022222300000000, 0.0000128500000000, -0.0001794900000000 ] - [ 0.0022222300000000, -0.0000128500000000, -0.0001794900000000 ] - [ 0.0116086300000000, -0.0005111400000000, -0.0012120300000000 ] - [ 0.0116086300000000, 0.0005111400000000, -0.0012120300000000 ] - [ 0.0254465700000000, 0.0000000000000000, -0.0213072100000000 ] - [ -0.0012393100000000, 0.0000000000000000, -0.0017454000000000 ] - [ -0.0006068900000000, -0.0000940300000000, -0.0023759200000000 ] - [ -0.0006068900000000, 0.0000940300000000, -0.0023759200000000 ] - [ 0.0033346700000000, 0.0000000000000000, -0.0001743200000000 ] - [ 0.0033276700000000, 0.0000000000000000, -0.0001740000000000 ] - [ 0.0013459200000000, 0.0000000000000000, 0.0119467100000000 ] - [ -0.0005154500000000, 0.0000000000000000, -0.0030773400000000 ] - [ -0.0078064000000000, -0.0062882200000000, -0.0001105200000000 ] - [ -0.0078064000000000, 0.0062882200000000, -0.0001105200000000 ] - [ 0.0024375100000000, -0.0076502500000000, 0.0016078000000000 ] - [ 0.0024375100000000, 0.0076502500000000, 0.0016078000000000 ] - [ -0.0033569100000000, 0.0000000000000000, 0.0036402700000000 ] - [ -0.0000282900000000, 0.0000000000000000, 0.0030851700000000 ] - [ 0.0009999000000000, -0.0017563400000000, 0.0112755100000000 ] - [ 0.0009999000000000, 0.0017563400000000, 0.0112755100000000 ] - [ -0.0092396700000000, 0.0000000000000000, 0.0019070500000000 ] - [ -0.0028086800000000, 0.0000000000000000, 0.0009967700000000 ] - [ -0.0033463300000000, -0.0000985300000000, 0.0003859600000000 ] - [ -0.0033463300000000, 0.0000985300000000, 0.0003859600000000 ] - [ -0.0002925500000000, 0.0000355600000000, 0.0008023900000000 ] - [ -0.0002925500000000, -0.0000355600000000, 0.0008023900000000 ] - [ -0.0011479800000000, -0.0004119500000000, -0.0009322400000000 ] - [ -0.0011479800000000, 0.0004119500000000, -0.0009322400000000 ] - [ -0.0021435600000000, 0.0000000000000000, 0.0220408100000000 ] - [ -0.0012611000000000, 0.0000000000000000, 0.0099304100000000 ] - [ -0.0079383400000000, 0.0000000000000000, 0.0018703500000000 ] - [ -0.0065935200000000, 0.0000000000000000, 0.0011693600000000 ] - [ -0.0009083400000000, 0.0000000000000000, 0.0118370700000000 ] - [ -0.0002819700000000, 0.0000000000000000, 0.0061815800000000 ] - [ -0.0003364800000000, 0.0000071500000000, 0.0005134200000000 ] - [ -0.0003364800000000, -0.0000071500000000, 0.0005134200000000 ] - [ 0.0030617100000000, 0.0019481900000000, 0.0039587000000000 ] - [ 0.0030617100000000, -0.0019481900000000, 0.0039587000000000 ] - [ -0.0001382200000000, 0.0003810900000000, 0.0056138900000000 ] - [ -0.0001382200000000, -0.0003810900000000, 0.0056138900000000 ] - [ 0.0000274000000000, 0.0000000000000000, 0.0011888600000000 ] - [ 0.0000346800000000, 0.0000000000000000, 0.0011393100000000 ] - [ -0.0117563200000000, 0.0000000000000000, 0.0078617000000000 ] - [ -0.0030943300000000, 0.0000000000000000, 0.0016281300000000 ] - [ -0.0014003100000000, 0.0000000000000000, 0.0002150400000000 ] - [ -0.0008466400000000, 0.0000000000000000, 0.0002640900000000 ] - [ -0.0033685700000000, 0.0001639400000000, -0.0005262500000000 ] - [ -0.0033685700000000, -0.0001639400000000, -0.0005262500000000 ] - [ -0.0030808400000000, 0.0000000000000000, 0.0137656700000000 ] - [ -0.0004156700000000, 0.0000000000000000, 0.0019500500000000 ] - [ 0.0034991300000000, 0.0100811800000000, 0.0059015000000000 ] - [ 0.0034991300000000, -0.0100811800000000, 0.0059015000000000 ] - [ -0.0007884300000000, 0.0001151600000000, 0.0003389400000000 ] - [ -0.0007884300000000, -0.0001151600000000, 0.0003389400000000 ] - [ -0.0109486000000000, 0.0000000000000000, -0.0001418300000000 ] - [ -0.0042443700000000, 0.0000000000000000, 0.0005107400000000 ] - [ 0.0037378300000000, 0.0000000000000000, -0.0014866700000000 ] - [ 0.0036823400000000, 0.0000000000000000, -0.0015071500000000 ] - [ -0.0017500400000000, 0.0089067700000000, -0.0005360300000000 ] - [ -0.0017500400000000, -0.0089067700000000, -0.0005360300000000 ] - [ 0.0006248000000000, 0.0000000000000000, 0.0019624000000000 ] - [ 0.0003415600000000, 0.0000000000000000, 0.0009302000000000 ] - [ 0.0011378200000000, 0.0003219500000000, -0.0010284300000000 ] - [ 0.0011378200000000, -0.0003219500000000, -0.0010284300000000 ] - [ -0.0012173500000000, 0.0000000000000000, -0.0121074800000000 ] - [ 0.0092223600000000, 0.0000000000000000, -0.0014336800000000 ] - [ 0.0161470700000000, 0.0000000000000000, 0.0029750400000000 ] - [ 0.0059100300000000, 0.0000000000000000, -0.0002636400000000 ] - [ -0.0007874700000000, 0.0000000000000000, -0.0083101600000000 ] - [ 0.0009527900000000, 0.0000000000000000, -0.0045521300000000 ] - [ -0.0002791600000000, 0.0000095500000000, -0.0026012000000000 ] - [ -0.0002791600000000, -0.0000095500000000, -0.0026012000000000 ] - [ -0.0041837000000000, 0.0002320400000000, -0.0015454300000000 ] - [ -0.0041837000000000, -0.0002320400000000, -0.0015454300000000 ] - [ 0.0000573600000000, 0.0000748600000000, -0.0004676500000000 ] - [ 0.0000573600000000, -0.0000748600000000, -0.0004676500000000 ]- atom: 15 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0028298500000000, 0.0000000000000000, -0.0027906000000000 ] - [ 0.0015655900000000, 0.0000000000000000, -0.0033334600000000 ] - [ 0.0814421900000000, 0.0000000000000000, 0.0012578100000000 ] - [ -0.0060443100000000, 0.0000000000000000, -0.0019171400000000 ] - [ -0.0033033100000000, 0.0003995000000000, -0.0143286300000000 ] - [ -0.0033033100000000, -0.0003995000000000, -0.0143286300000000 ] - [ 0.0039273500000000, 0.0000305900000000, 0.0109160000000000 ] - [ 0.0039273500000000, -0.0000305900000000, 0.0109160000000000 ] - [ 0.0082064400000000, -0.0003728400000000, 0.0022925700000000 ] - [ 0.0082064400000000, 0.0003728400000000, 0.0022925700000000 ] - [ 0.0048871300000000, 0.0000000000000000, 0.0041478300000000 ] - [ 0.0031105600000000, 0.0000000000000000, 0.0035706900000000 ] - [ -0.0065604000000000, 0.0000000000000000, -0.0212526500000000 ] - [ -0.0056536400000000, 0.0000000000000000, -0.0111048500000000 ] - [ -0.4770342800000000, 0.0000000000000000, 0.0173062800000000 ] - [ -0.0276981100000000, 0.0000000000000000, -0.0043121000000000 ] - [ 0.0027684000000000, 0.0006087200000000, 0.0011781900000000 ] - [ 0.0027684000000000, -0.0006087200000000, 0.0011781900000000 ] - [ -0.0146983800000000, 0.0000000000000000, 0.0037107100000000 ] - [ -0.0097204100000000, 0.0000000000000000, -0.0066337200000000 ] - [ 0.0253397300000000, -0.0464937900000000, -0.0009357800000000 ] - [ 0.0253397300000000, 0.0464937900000000, -0.0009357800000000 ] - [ 0.0033872700000000, 0.0000000000000000, 0.0184375500000000 ] - [ -0.0002695000000000, 0.0000000000000000, 0.0082933700000000 ] - [ 0.0060213500000000, 0.0001289000000000, 0.0025976000000000 ] - [ 0.0060213500000000, -0.0001289000000000, 0.0025976000000000 ] - [ 0.0040557600000000, 0.0003955100000000, 0.0018158500000000 ] - [ 0.0040557600000000, -0.0003955100000000, 0.0018158500000000 ] - [ -0.0135063700000000, 0.0000000000000000, -0.0004637200000000 ] - [ -0.0094958300000000, 0.0000000000000000, 0.0000355000000000 ] - [ 0.0009027600000000, 0.0001803100000000, 0.0061167500000000 ] - [ 0.0009027600000000, -0.0001803100000000, 0.0061167500000000 ] - [ 0.0166214600000000, 0.0000000000000000, 0.0002623400000000 ] - [ 0.0120059800000000, 0.0000000000000000, 0.0003147900000000 ] - [ 0.0010248900000000, 0.0002096600000000, 0.0012590100000000 ] - [ 0.0010248900000000, -0.0002096600000000, 0.0012590100000000 ] - [ -0.0044132100000000, 0.0000000000000000, 0.0205784600000000 ] - [ 0.0004946700000000, 0.0000000000000000, 0.0085262900000000 ] - [ 0.0016008600000000, 0.0000000000000000, 0.0009045300000000 ] - [ 0.0025402600000000, 0.0000000000000000, 0.0009503900000000 ] - [ -0.0003266400000000, 0.0000000000000000, 0.0038102700000000 ] - [ 0.0001197800000000, 0.0000000000000000, 0.0030194300000000 ] - [ 0.0020285300000000, -0.0018931900000000, 0.0047766700000000 ] - [ 0.0020285300000000, 0.0018931900000000, 0.0047766700000000 ] - [ -0.0046247100000000, -0.0000139700000000, 0.0000146200000000 ] - [ -0.0046247100000000, 0.0000139700000000, 0.0000146200000000 ] - [ -0.0011304800000000, -0.0000828300000000, 0.0010006700000000 ] - [ -0.0011304800000000, 0.0000828300000000, 0.0010006700000000 ] - [ -0.0003312800000000, 0.0000000000000000, 0.0013346600000000 ] - [ 0.0005660700000000, 0.0000000000000000, 0.0019886000000000 ] - [ -0.0007911600000000, -0.0000789200000000, -0.0024482400000000 ] - [ -0.0007911600000000, 0.0000789200000000, -0.0024482400000000 ] - [ 0.0005168100000000, 0.0000000000000000, -0.0006917400000000 ] - [ 0.0006620000000000, 0.0000000000000000, -0.0006658400000000 ] - [ 0.0031963000000000, 0.0000000000000000, 0.0044201500000000 ] - [ 0.0022632000000000, 0.0000000000000000, 0.0034952700000000 ] - [ -0.0039597800000000, -0.0007267400000000, 0.0005356900000000 ] - [ -0.0039597800000000, 0.0007267400000000, 0.0005356900000000 ] - [ 0.0069610800000000, -0.0036038800000000, -0.0006274400000000 ] - [ 0.0069610800000000, 0.0036038800000000, -0.0006274400000000 ] - [ 0.0008128800000000, 0.0000000000000000, 0.0002909300000000 ] - [ 0.0011557800000000, 0.0000000000000000, 0.0012081500000000 ] - [ -0.0003066900000000, 0.0029911800000000, 0.0165682100000000 ] - [ -0.0003066900000000, -0.0029911800000000, 0.0165682100000000 ] - [ 0.0057931900000000, 0.0000000000000000, -0.0006483200000000 ] - [ 0.0059440800000000, 0.0000000000000000, 0.0010251300000000 ] - [ -0.0044523600000000, -0.0000767000000000, -0.0004620600000000 ] - [ -0.0044523600000000, 0.0000767000000000, -0.0004620600000000 ] - [ -0.0118888600000000, 0.0015904600000000, -0.0001680200000000 ] - [ -0.0118888600000000, -0.0015904600000000, -0.0001680200000000 ] - [ -0.0001613100000000, -0.0020767300000000, -0.0046236400000000 ] - [ -0.0001613100000000, 0.0020767300000000, -0.0046236400000000 ] - [ 0.0157186000000000, 0.0000000000000000, -0.0069584600000000 ] - [ 0.0022412300000000, 0.0000000000000000, 0.0097944800000000 ] - [ -0.0137003600000000, 0.0000000000000000, -0.0012461900000000 ] - [ 0.0039327700000000, 0.0000000000000000, -0.0003863600000000 ] - [ -0.0068940200000000, 0.0000000000000000, -0.0168384600000000 ] - [ -0.0003000500000000, 0.0000000000000000, -0.0047180000000000 ] - [ -0.0014695400000000, 0.0000216900000000, -0.0036169100000000 ] - [ -0.0014695400000000, -0.0000216900000000, -0.0036169100000000 ] - [ 0.0405757700000000, -0.0321068500000000, 0.0030795000000000 ] - [ 0.0405757700000000, 0.0321068500000000, 0.0030795000000000 ] - [ -0.0003175200000000, 0.0028595800000000, -0.0134060200000000 ] - [ -0.0003175200000000, -0.0028595800000000, -0.0134060200000000 ] - [ -0.0007850100000000, 0.0000000000000000, -0.0008889400000000 ] - [ -0.0006652800000000, 0.0000000000000000, -0.0006399900000000 ] - [ 0.3078885900000000, 0.0000000000000000, -0.0344900000000000 ] - [ 0.0221919500000000, 0.0000000000000000, -0.0002924800000000 ] - [ -0.0071024100000000, 0.0000000000000000, -0.0010089600000000 ] - [ -0.0039582700000000, 0.0000000000000000, -0.0005525300000000 ] - [ -0.0055494300000000, -0.0000310700000000, -0.0022791600000000 ] - [ -0.0055494300000000, 0.0000310700000000, -0.0022791600000000 ] - [ 0.0135572200000000, 0.0000000000000000, 0.0148109000000000 ] - [ 0.0021973900000000, 0.0000000000000000, -0.0051882600000000 ] - [ -0.0037366400000000, -0.0153146700000000, -0.0000187400000000 ] - [ -0.0037366400000000, 0.0153146700000000, -0.0000187400000000 ] - [ -0.0026108200000000, -0.0003570000000000, -0.0014628500000000 ] - [ -0.0026108200000000, 0.0003570000000000, -0.0014628500000000 ] - [ 0.0001500400000000, 0.0000000000000000, -0.0011332400000000 ] - [ -0.0007041300000000, 0.0000000000000000, -0.0010033200000000 ] - [ 0.0018654300000000, 0.0000000000000000, -0.0021452600000000 ] - [ 0.0021945500000000, 0.0000000000000000, -0.0020818100000000 ] - [ 0.0030252000000000, -0.0008367700000000, 0.0023091500000000 ] - [ 0.0030252000000000, 0.0008367700000000, 0.0023091500000000 ] - [ -0.0010714900000000, 0.0000000000000000, -0.0035333000000000 ] - [ -0.0007314000000000, 0.0000000000000000, -0.0027678800000000 ] - [ -0.0014917400000000, -0.0000226800000000, -0.0014551000000000 ] - [ -0.0014917400000000, 0.0000226800000000, -0.0014551000000000 ] - [ 0.0107761000000000, 0.0000000000000000, 0.0008149900000000 ] - [ 0.0079757100000000, 0.0000000000000000, 0.0005713400000000 ] - [ -0.0200336400000000, 0.0000000000000000, -0.0010343800000000 ] - [ -0.0088478900000000, 0.0000000000000000, -0.0000972700000000 ] - [ 0.0003929400000000, 0.0000000000000000, -0.0020483800000000 ] - [ 0.0000680500000000, 0.0000000000000000, -0.0022423400000000 ] - [ -0.0010496000000000, -0.0000456500000000, -0.0037135200000000 ] - [ -0.0010496000000000, 0.0000456500000000, -0.0037135200000000 ] - [ -0.0080268600000000, -0.0006584900000000, -0.0010385300000000 ] - [ -0.0080268600000000, 0.0006584900000000, -0.0010385300000000 ] - [ -0.0010265200000000, 0.0000165200000000, 0.0012386900000000 ] - [ -0.0010265200000000, -0.0000165200000000, 0.0012386900000000 ]- atom: 15 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0015424000000000, 0.0000000000000000, 0.0004047500000000 ] - [ 0.0028134000000000, 0.0000000000000000, 0.0009449900000000 ] - [ -0.0883258500000000, 0.0000000000000000, -0.0013823500000000 ] - [ -0.0009907600000000, 0.0000000000000000, 0.0018055100000000 ] - [ 0.0006581700000000, -0.0004049500000000, 0.0143887800000000 ] - [ 0.0006581700000000, 0.0004049500000000, 0.0143887800000000 ] - [ 0.0004692700000000, -0.0000277700000000, -0.0133937700000000 ] - [ 0.0004692700000000, 0.0000277700000000, -0.0133937700000000 ] - [ -0.0153065400000000, 0.0003771500000000, -0.0024129600000000 ] - [ -0.0153065400000000, -0.0003771500000000, -0.0024129600000000 ] - [ -0.0075908200000000, 0.0000000000000000, -0.0042288200000000 ] - [ -0.0058227600000000, 0.0000000000000000, -0.0036658500000000 ] - [ 0.0055632800000000, 0.0000000000000000, 0.0175554600000000 ] - [ 0.0046313300000000, 0.0000000000000000, 0.0074494900000000 ] - [ 0.4496150100000000, 0.0000000000000000, -0.0160922500000000 ] - [ 0.0210737000000000, 0.0000000000000000, 0.0027831200000000 ] - [ -0.0051742100000000, -0.0006094300000000, -0.0056004000000000 ] - [ -0.0051742100000000, 0.0006094300000000, -0.0056004000000000 ] - [ 0.0069231900000000, 0.0000000000000000, -0.0002882200000000 ] - [ 0.0019214200000000, 0.0000000000000000, 0.0103220900000000 ] - [ -0.0182792500000000, 0.0470693100000000, 0.0003738000000000 ] - [ -0.0182792500000000, -0.0470693100000000, 0.0003738000000000 ] - [ -0.0052209000000000, 0.0000000000000000, -0.0130002600000000 ] - [ -0.0015430600000000, 0.0000000000000000, -0.0029036300000000 ] - [ -0.0071092000000000, -0.0001309400000000, -0.0062896500000000 ] - [ -0.0071092000000000, 0.0001309400000000, -0.0062896500000000 ] - [ -0.0106691700000000, -0.0003970900000000, -0.0034248900000000 ] - [ -0.0106691700000000, 0.0003970900000000, -0.0034248900000000 ] - [ 0.0111751500000000, 0.0000000000000000, -0.0038778200000000 ] - [ 0.0071634200000000, 0.0000000000000000, -0.0043710400000000 ] - [ -0.0087436700000000, -0.0001850600000000, -0.0024099300000000 ] - [ -0.0087436700000000, 0.0001850600000000, -0.0024099300000000 ] - [ -0.0094709300000000, 0.0000000000000000, -0.0008288000000000 ] - [ -0.0048229600000000, 0.0000000000000000, -0.0009004800000000 ] - [ -0.0028112900000000, -0.0002087800000000, 0.0041602200000000 ] - [ -0.0028112900000000, 0.0002087800000000, 0.0041602200000000 ] - [ 0.0041293700000000, 0.0000000000000000, -0.0198396700000000 ] - [ -0.0007341400000000, 0.0000000000000000, -0.0077783100000000 ] - [ 0.0083675500000000, 0.0000000000000000, 0.0020043500000000 ] - [ 0.0074256400000000, 0.0000000000000000, 0.0019593100000000 ] - [ 0.0015813100000000, 0.0000000000000000, -0.0021572800000000 ] - [ 0.0011346900000000, 0.0000000000000000, -0.0013056100000000 ] - [ -0.0007962900000000, 0.0018951100000000, -0.0029674500000000 ] - [ -0.0007962900000000, -0.0018951100000000, -0.0029674500000000 ] - [ 0.0088019600000000, 0.0000138100000000, 0.0002442800000000 ] - [ 0.0088019600000000, -0.0000138100000000, 0.0002442800000000 ] - [ 0.0013953100000000, 0.0000823400000000, -0.0010373300000000 ] - [ 0.0013953100000000, -0.0000823400000000, -0.0010373300000000 ] - [ -0.0009986700000000, 0.0000000000000000, -0.0012032000000000 ] - [ -0.0019295600000000, 0.0000000000000000, -0.0018729700000000 ] - [ 0.0006559100000000, 0.0000795400000000, 0.0023243100000000 ] - [ 0.0006559100000000, -0.0000795400000000, 0.0023243100000000 ] - [ 0.0059993100000000, 0.0000000000000000, 0.0003932200000000 ] - [ 0.0058530500000000, 0.0000000000000000, 0.0003677500000000 ] - [ -0.0039967600000000, 0.0000000000000000, -0.0041768900000000 ] - [ -0.0030376700000000, 0.0000000000000000, -0.0032478900000000 ] - [ -0.0021481800000000, 0.0007115100000000, 0.0006031500000000 ] - [ -0.0021481800000000, -0.0007115100000000, 0.0006031500000000 ] - [ 0.0008919200000000, 0.0036560700000000, -0.0021501500000000 ] - [ 0.0008919200000000, -0.0036560700000000, -0.0021501500000000 ] - [ 0.0022375500000000, 0.0000000000000000, 0.0042359900000000 ] - [ 0.0018957500000000, 0.0000000000000000, 0.0033181700000000 ] - [ 0.0007124600000000, -0.0030467500000000, -0.0156226800000000 ] - [ 0.0007124600000000, 0.0030467500000000, -0.0156226800000000 ] - [ -0.0027258600000000, 0.0000000000000000, 0.0013359700000000 ] - [ -0.0029554900000000, 0.0000000000000000, -0.0003633900000000 ] - [ 0.0049820700000000, 0.0000768900000000, 0.0006169200000000 ] - [ 0.0049820700000000, -0.0000768900000000, 0.0006169200000000 ] - [ 0.0109330800000000, -0.0015835500000000, -0.0000919300000000 ] - [ 0.0109330800000000, 0.0015835500000000, -0.0000919300000000 ] - [ 0.0003477800000000, 0.0020785700000000, -0.0000647900000000 ] - [ 0.0003477800000000, -0.0020785700000000, -0.0000647900000000 ] - [ -0.0159932700000000, 0.0000000000000000, 0.0039059100000000 ] - [ -0.0028481200000000, 0.0000000000000000, -0.0121432100000000 ] - [ 0.0018386800000000, 0.0000000000000000, -0.0002144100000000 ] - [ -0.0140911800000000, 0.0000000000000000, -0.0010656000000000 ] - [ 0.0064459300000000, 0.0000000000000000, 0.0171977000000000 ] - [ -0.0001010000000000, 0.0000000000000000, 0.0050933600000000 ] - [ 0.0012413700000000, -0.0000221300000000, 0.0044025300000000 ] - [ 0.0012413700000000, 0.0000221300000000, 0.0044025300000000 ] - [ -0.0302100400000000, 0.0327898600000000, -0.0002502400000000 ] - [ -0.0302100400000000, -0.0327898600000000, -0.0002502400000000 ] - [ 0.0015679600000000, -0.0029100300000000, 0.0152353000000000 ] - [ 0.0015679600000000, 0.0029100300000000, 0.0152353000000000 ] - [ 0.0020350700000000, 0.0000000000000000, 0.0027178900000000 ] - [ 0.0019154000000000, 0.0000000000000000, 0.0024629200000000 ] - [ -0.2824291000000000, 0.0000000000000000, 0.0322062600000000 ] - [ -0.0179547900000000, 0.0000000000000000, 0.0005276300000000 ] - [ 0.0073886300000000, 0.0000000000000000, 0.0009783900000000 ] - [ 0.0042660300000000, 0.0000000000000000, 0.0005245600000000 ] - [ 0.0042299400000000, 0.0000311800000000, 0.0023954300000000 ] - [ 0.0042299400000000, -0.0000311800000000, 0.0023954300000000 ] - [ -0.0132321900000000, 0.0000000000000000, -0.0142257100000000 ] - [ -0.0023454800000000, 0.0000000000000000, 0.0049268800000000 ] - [ 0.0101763400000000, 0.0153760300000000, -0.0002785400000000 ] - [ 0.0101763400000000, -0.0153760300000000, -0.0002785400000000 ] - [ 0.0018765400000000, 0.0003722200000000, 0.0017380300000000 ] - [ 0.0018765400000000, -0.0003722200000000, 0.0017380300000000 ] - [ -0.0062999600000000, 0.0000000000000000, 0.0022837500000000 ] - [ -0.0054493900000000, 0.0000000000000000, 0.0021509000000000 ] - [ 0.0060424600000000, 0.0000000000000000, -0.0006368800000000 ] - [ 0.0057046800000000, 0.0000000000000000, -0.0007005000000000 ] - [ -0.0000068300000000, 0.0008407700000000, 0.0022031200000000 ] - [ -0.0000068300000000, -0.0008407700000000, 0.0022031200000000 ] - [ 0.0014916300000000, 0.0000000000000000, 0.0046482900000000 ] - [ 0.0011497700000000, 0.0000000000000000, 0.0039326800000000 ] - [ 0.0044728200000000, 0.0000227100000000, 0.0021222500000000 ] - [ 0.0044728200000000, -0.0000227100000000, 0.0021222500000000 ] - [ -0.0102738600000000, 0.0000000000000000, -0.0006558700000000 ] - [ -0.0074791500000000, 0.0000000000000000, -0.0004205500000000 ] - [ 0.0191291500000000, 0.0000000000000000, 0.0007771300000000 ] - [ 0.0078796400000000, 0.0000000000000000, -0.0001615900000000 ] - [ -0.0002135900000000, 0.0000000000000000, -0.0026599400000000 ] - [ 0.0001066300000000, 0.0000000000000000, -0.0024670600000000 ] - [ 0.0004483000000000, 0.0000459700000000, 0.0012938200000000 ] - [ 0.0004483000000000, -0.0000459700000000, 0.0012938200000000 ] - [ -0.0020168800000000, 0.0006600600000000, -0.0004068100000000 ] - [ -0.0020168800000000, -0.0006600600000000, -0.0004068100000000 ] - [ 0.0006289100000000, -0.0000166400000000, -0.0008896100000000 ] - [ 0.0006289100000000, 0.0000166400000000, -0.0008896100000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021938000000000, -0.0000690200000000, -0.0011854700000000 ] - [ 0.0021848100000000, 0.0000657200000000, -0.0011845700000000 ] - [ -0.0038440800000000, -0.0043640400000000, -0.0000587700000000 ] - [ -0.0035019000000000, 0.0018183500000000, -0.0000504400000000 ] - [ -0.0021396200000000, 0.0000216900000000, 0.0051138500000000 ] - [ -0.0004923900000000, 0.0000308100000000, -0.0050094100000000 ] - [ 0.0018095100000000, 0.0000676100000000, -0.0055518700000000 ] - [ 0.0025711700000000, 0.0000709700000000, 0.0030500100000000 ] - [ -0.0072341600000000, -0.0000467000000000, -0.0004018100000000 ] - [ 0.0000754600000000, -0.0000438200000000, 0.0002640000000000 ] - [ -0.0013722100000000, -0.0001511900000000, -0.0000500200000000 ] - [ -0.0013689900000000, 0.0001524000000000, -0.0000555400000000 ] - [ -0.0005066700000000, -0.0008183500000000, -0.0017705300000000 ] - [ -0.0004894900000000, 0.0007484700000000, -0.0017947500000000 ] - [ -0.0006835200000000, -0.2701312400000000, -0.0005722900000000 ] - [ -0.0032866700000000, 0.1698797000000000, -0.0007972100000000 ] - [ -0.0013469400000000, -0.0000015700000000, -0.0022326300000000 ] - [ -0.0010648600000000, 0.0000005100000000, -0.0022072500000000 ] - [ -0.0038641100000000, -0.0030867800000000, 0.0016883900000000 ] - [ -0.0038894000000000, 0.0013945800000000, 0.0019049200000000 ] - [ -0.0411453700000000, 0.0012566200000000, 0.0006388700000000 ] - [ 0.0477813300000000, 0.0010718000000000, -0.0011792300000000 ] - [ -0.0009221800000000, -0.0004054400000000, 0.0026427300000000 ] - [ -0.0009054100000000, 0.0003422800000000, 0.0026738100000000 ] - [ -0.0012400100000000, -0.0000007000000000, -0.0022986200000000 ] - [ 0.0001266900000000, 0.0000015700000000, -0.0014117300000000 ] - [ -0.0037191600000000, 0.0000232700000000, -0.0008749300000000 ] - [ -0.0029279400000000, 0.0000235800000000, -0.0007466100000000 ] - [ -0.0011407800000000, -0.0033746400000000, -0.0021407500000000 ] - [ -0.0011386400000000, 0.0021664300000000, -0.0022314400000000 ] - [ -0.0042470200000000, 0.0000002600000000, 0.0013872700000000 ] - [ -0.0036132300000000, 0.0000041700000000, 0.0023040400000000 ] - [ 0.0035575700000000, -0.0001759900000000, -0.0002851500000000 ] - [ 0.0035533100000000, 0.0000715900000000, -0.0002932000000000 ] - [ -0.0019571100000000, -0.0000150000000000, 0.0028253900000000 ] - [ 0.0001627400000000, -0.0000324400000000, 0.0025956000000000 ] - [ -0.0001108000000000, 0.0003052600000000, 0.0003076500000000 ] - [ -0.0001264000000000, -0.0002295600000000, 0.0003418700000000 ] - [ 0.0049913700000000, 0.0001777800000000, 0.0014556500000000 ] - [ 0.0049921700000000, -0.0001831500000000, 0.0014557200000000 ] - [ 0.0006300500000000, 0.0000207000000000, 0.0008319300000000 ] - [ 0.0006303000000000, -0.0000126100000000, 0.0008491800000000 ] - [ 0.0004647000000000, 0.0000265700000000, 0.0004211900000000 ] - [ 0.0007601700000000, 0.0000189100000000, 0.0013795900000000 ] - [ 0.0030385600000000, -0.0000105400000000, 0.0001239200000000 ] - [ 0.0011664400000000, -0.0000102400000000, 0.0001339800000000 ] - [ 0.0020349900000000, -0.0000042300000000, -0.0003097800000000 ] - [ -0.0017744500000000, -0.0000039200000000, 0.0002654600000000 ] - [ -0.0006712700000000, 0.0000223900000000, 0.0000360300000000 ] - [ -0.0006852300000000, -0.0001598900000000, 0.0000551900000000 ] - [ -0.0000371300000000, 0.0000000400000000, 0.0000048100000000 ] - [ -0.0000908000000000, -0.0000003300000000, -0.0001202300000000 ] - [ 0.0032571300000000, 0.0016209400000000, -0.0001471500000000 ] - [ 0.0032584100000000, -0.0016130300000000, -0.0001465700000000 ] - [ -0.0003976600000000, 0.0014804500000000, 0.0001179700000000 ] - [ -0.0003884200000000, -0.0015496500000000, 0.0001161100000000 ] - [ -0.0030140900000000, -0.0000074600000000, 0.0005711700000000 ] - [ -0.0030873600000000, 0.0000072500000000, 0.0005691300000000 ] - [ 0.0033199800000000, 0.0006356800000000, -0.0013565400000000 ] - [ 0.0045303800000000, 0.0005656100000000, -0.0014210800000000 ] - [ 0.0015255500000000, 0.0000783300000000, 0.0022687900000000 ] - [ 0.0015286700000000, -0.0000787700000000, 0.0022663000000000 ] - [ 0.0038056800000000, 0.0000341100000000, -0.0053160800000000 ] - [ -0.0033429000000000, 0.0000366600000000, 0.0062239600000000 ] - [ 0.0014968600000000, 0.0004225600000000, 0.0003368500000000 ] - [ 0.0014790900000000, -0.0000597000000000, 0.0003173800000000 ] - [ 0.0005126300000000, -0.0000002700000000, 0.0001084500000000 ] - [ 0.0000353800000000, -0.0000007400000000, 0.0000564300000000 ] - [ 0.0104115800000000, 0.0002807600000000, -0.0008358500000000 ] - [ -0.0112447700000000, 0.0002958800000000, 0.0005718700000000 ] - [ 0.0000475500000000, 0.0000106600000000, -0.0023714300000000 ] - [ 0.0001358700000000, -0.0000012600000000, -0.0023060000000000 ] - [ -0.0003883800000000, 0.0048717000000000, -0.0016222000000000 ] - [ -0.0003161400000000, -0.0118245800000000, -0.0012036900000000 ] - [ -0.0046450000000000, 0.0182269300000000, -0.0007223100000000 ] - [ -0.0050156000000000, -0.0165558000000000, -0.0007291800000000 ] - [ -0.0001836500000000, 0.0003653900000000, 0.0002469900000000 ] - [ -0.0002071000000000, -0.0003187600000000, 0.0002068900000000 ] - [ 0.0001495400000000, -0.0000008100000000, 0.0009178600000000 ] - [ -0.0003785200000000, -0.0000003500000000, -0.0001187900000000 ] - [ -0.0195731200000000, 0.0518191800000000, -0.0040882700000000 ] - [ 0.0276417800000000, 0.0446306600000000, 0.0067532200000000 ] - [ 0.0033910000000000, -0.0000452600000000, 0.0059358400000000 ] - [ -0.0021019100000000, -0.0000406500000000, -0.0040928600000000 ] - [ 0.0006279400000000, 0.0003952400000000, 0.0009246100000000 ] - [ 0.0006274900000000, -0.0003975700000000, 0.0009213100000000 ] - [ 0.0015791100000000, 0.0242421300000000, 0.0001669700000000 ] - [ 0.0020838900000000, -0.0062713700000000, 0.0001249100000000 ] - [ 0.0001581500000000, 0.0000248800000000, -0.0000106000000000 ] - [ 0.0001600300000000, -0.0000219200000000, -0.0000124900000000 ] - [ 0.0003868400000000, -0.0000057400000000, 0.0005914400000000 ] - [ -0.0016944200000000, -0.0000060900000000, -0.0004660000000000 ] - [ -0.0000756600000000, 0.0046301900000000, 0.0003985300000000 ] - [ -0.0000900200000000, -0.0127262900000000, -0.0000852500000000 ] - [ 0.0026534300000000, 0.0000296200000000, -0.0001744700000000 ] - [ 0.0039412900000000, -0.0001569700000000, -0.0001234800000000 ] - [ -0.0002461300000000, 0.0000070600000000, 0.0002390100000000 ] - [ -0.0004725500000000, -0.0000072800000000, 0.0000444200000000 ] - [ -0.0030775400000000, 0.0016019500000000, 0.0005731800000000 ] - [ -0.0030719300000000, -0.0018768000000000, 0.0005749400000000 ] - [ 0.0039622300000000, 0.0003011000000000, -0.0013907100000000 ] - [ 0.0039572600000000, -0.0003007700000000, -0.0013908100000000 ] - [ 0.0013202000000000, 0.0000674000000000, 0.0025024300000000 ] - [ 0.0016996900000000, 0.0000710100000000, 0.0020369500000000 ] - [ 0.0002162200000000, 0.0000238200000000, 0.0005617600000000 ] - [ 0.0002140900000000, -0.0000232900000000, 0.0005846500000000 ] - [ 0.0017637200000000, 0.0000038600000000, 0.0005755300000000 ] - [ 0.0012353200000000, 0.0000039800000000, 0.0000838700000000 ] - [ 0.0002182800000000, 0.0005609300000000, 0.0000725900000000 ] - [ 0.0002156700000000, -0.0002656100000000, 0.0000815200000000 ] - [ -0.0004356500000000, 0.0003170800000000, -0.0001278100000000 ] - [ -0.0004428100000000, 0.0000108000000000, -0.0001293200000000 ] - [ 0.0000908700000000, 0.0008627500000000, -0.0023338800000000 ] - [ 0.0000864300000000, -0.0008805100000000, -0.0023555300000000 ] - [ -0.0002470500000000, -0.0000005100000000, -0.0010949600000000 ] - [ -0.0003422600000000, -0.0000004000000000, -0.0013103900000000 ] - [ -0.0049228900000000, 0.0000120600000000, -0.0007130700000000 ] - [ -0.0051054500000000, 0.0000191300000000, -0.0007329100000000 ] - [ 0.0000054200000000, 0.0000078700000000, -0.0000011900000000 ] - [ -0.0004088600000000, 0.0000099200000000, 0.0003502200000000 ]- atom: 15 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0045411100000000, 0.0000000000000000, 0.0095788800000000 ] - [ 0.0031013600000000, 0.0000000000000000, 0.0038156100000000 ] - [ -0.0543242100000000, 0.0000000000000000, -0.0088066100000000 ] - [ -0.0030448000000000, 0.0000000000000000, -0.0026146900000000 ] - [ -0.0156869200000000, 0.0029439900000000, 0.0101492700000000 ] - [ -0.0156869200000000, -0.0029439900000000, 0.0101492700000000 ] - [ 0.0104405500000000, -0.0053714500000000, -0.0067328400000000 ] - [ 0.0104405500000000, 0.0053714500000000, -0.0067328400000000 ] - [ -0.0088139900000000, 0.0001723000000000, 0.0005442200000000 ] - [ -0.0088139900000000, -0.0001723000000000, 0.0005442200000000 ] - [ 0.0006761800000000, 0.0000000000000000, -0.0013204400000000 ] - [ 0.0005238400000000, 0.0000000000000000, -0.0009781500000000 ] - [ -0.0273553000000000, 0.0000000000000000, 0.0153839500000000 ] - [ -0.0108168800000000, 0.0000000000000000, 0.0060639800000000 ] - [ 0.2402047300000000, 0.0000000000000000, -0.2100151900000000 ] - [ 0.0058618600000000, 0.0000000000000000, -0.0216890300000000 ] - [ 0.0011349800000000, 0.0004159400000000, -0.0008376700000000 ] - [ 0.0011349800000000, -0.0004159400000000, -0.0008376700000000 ] - [ -0.0068746300000000, 0.0000000000000000, 0.0993427600000000 ] - [ 0.0020470900000000, 0.0000000000000000, 0.0036401600000000 ] - [ -0.0075015000000000, 0.0251183200000000, -0.0161149600000000 ] - [ -0.0075015000000000, -0.0251183200000000, -0.0161149600000000 ] - [ 0.0126997100000000, 0.0000000000000000, -0.0050768400000000 ] - [ 0.0050041600000000, 0.0000000000000000, -0.0008789600000000 ] - [ 0.0021764100000000, -0.0000221800000000, -0.0034276200000000 ] - [ 0.0021764100000000, 0.0000221800000000, -0.0034276200000000 ] - [ -0.0047289000000000, -0.0001439800000000, 0.0014015000000000 ] - [ -0.0047289000000000, 0.0001439800000000, 0.0014015000000000 ] - [ 0.0008595100000000, 0.0000000000000000, 0.0827179000000000 ] - [ -0.0026596200000000, 0.0000000000000000, -0.0033650700000000 ] - [ -0.0017088500000000, -0.0001833000000000, 0.0035584200000000 ] - [ -0.0017088500000000, 0.0001833000000000, 0.0035584200000000 ] - [ -0.0025683300000000, 0.0000000000000000, 0.0025645100000000 ] - [ -0.0001751000000000, 0.0000000000000000, 0.0018606400000000 ] - [ -0.0056769400000000, -0.0032954200000000, 0.0104166300000000 ] - [ -0.0056769400000000, 0.0032954200000000, 0.0104166300000000 ] - [ 0.0049541800000000, 0.0000000000000000, -0.0093593500000000 ] - [ 0.0006409700000000, 0.0000000000000000, -0.0033197900000000 ] - [ 0.0059460700000000, 0.0000000000000000, 0.0011314400000000 ] - [ 0.0055504500000000, 0.0000000000000000, 0.0011338000000000 ] - [ 0.0007674400000000, 0.0000000000000000, -0.0062056800000000 ] - [ 0.0008234500000000, 0.0000000000000000, -0.0035255100000000 ] - [ 0.0039404200000000, 0.0025504000000000, -0.0040022300000000 ] - [ 0.0039404200000000, -0.0025504000000000, -0.0040022300000000 ] - [ 0.0038195300000000, 0.0000061700000000, -0.0001929600000000 ] - [ 0.0038195300000000, -0.0000061700000000, -0.0001929600000000 ] - [ 0.0105264500000000, 0.0003323100000000, -0.0019917000000000 ] - [ 0.0105264500000000, -0.0003323100000000, -0.0019917000000000 ] - [ 0.0065167700000000, 0.0000000000000000, -0.0136631400000000 ] - [ 0.0025002900000000, 0.0000000000000000, -0.0055006100000000 ] - [ -0.0001980400000000, -0.0000117300000000, -0.0015566300000000 ] - [ -0.0001980400000000, 0.0000117300000000, -0.0015566300000000 ] - [ 0.0045246800000000, 0.0000000000000000, -0.0003074800000000 ] - [ 0.0044306100000000, 0.0000000000000000, -0.0003038300000000 ] - [ 0.0094647800000000, 0.0000000000000000, -0.0064341300000000 ] - [ 0.0026181200000000, 0.0000000000000000, -0.0033508200000000 ] - [ -0.0041645600000000, -0.0009377800000000, -0.0008613200000000 ] - [ -0.0041645600000000, 0.0009377800000000, -0.0008613200000000 ] - [ 0.0096458500000000, -0.0186320500000000, -0.0068698400000000 ] - [ 0.0096458500000000, 0.0186320500000000, -0.0068698400000000 ] - [ -0.0001499900000000, 0.0000000000000000, 0.0016780600000000 ] - [ 0.0007347800000000, 0.0000000000000000, 0.0020822200000000 ] - [ 0.0036393300000000, -0.0028550300000000, -0.0029578600000000 ] - [ 0.0036393300000000, 0.0028550300000000, -0.0029578600000000 ] - [ -0.0210057400000000, 0.0000000000000000, -0.0083837700000000 ] - [ -0.0047902900000000, 0.0000000000000000, -0.0011893900000000 ] - [ -0.0013753200000000, -0.0000298400000000, 0.0000536600000000 ] - [ -0.0013753200000000, 0.0000298400000000, 0.0000536600000000 ] - [ 0.0056156300000000, -0.0009454900000000, 0.0007848600000000 ] - [ 0.0056156300000000, 0.0009454900000000, 0.0007848600000000 ] - [ -0.0017620100000000, -0.0006011000000000, -0.0022674400000000 ] - [ -0.0017620100000000, 0.0006011000000000, -0.0022674400000000 ] - [ -0.0009609200000000, 0.0000000000000000, 0.0417696500000000 ] - [ -0.0012126100000000, 0.0000000000000000, 0.0087448200000000 ] - [ 0.0043451200000000, 0.0000000000000000, 0.0063993900000000 ] - [ -0.0092093900000000, 0.0000000000000000, 0.0015778700000000 ] - [ 0.0018260600000000, 0.0000000000000000, 0.0125204900000000 ] - [ -0.0007891900000000, 0.0000000000000000, 0.0046464200000000 ] - [ 0.0000280000000000, -0.0000069300000000, 0.0017218200000000 ] - [ 0.0000280000000000, 0.0000069300000000, 0.0017218200000000 ] - [ -0.0114455200000000, 0.0133520200000000, 0.0078622500000000 ] - [ -0.0114455200000000, -0.0133520200000000, 0.0078622500000000 ] - [ -0.0010781400000000, -0.0004257400000000, 0.0150104300000000 ] - [ -0.0010781400000000, 0.0004257400000000, 0.0150104300000000 ] - [ 0.0001181800000000, 0.0000000000000000, 0.0011693000000000 ] - [ 0.0001233000000000, 0.0000000000000000, 0.0011437900000000 ] - [ -0.1693236400000000, 0.0000000000000000, 0.0292399600000000 ] - [ -0.0074943800000000, 0.0000000000000000, 0.0030809600000000 ] - [ -0.0032876500000000, 0.0000000000000000, -0.0001880400000000 ] - [ -0.0024123700000000, 0.0000000000000000, 0.0000592200000000 ] - [ -0.0037226100000000, 0.0002313100000000, -0.0003317900000000 ] - [ -0.0037226100000000, -0.0002313100000000, -0.0003317900000000 ] - [ 0.0019514200000000, 0.0000000000000000, 0.0032060700000000 ] - [ -0.0008818300000000, 0.0000000000000000, 0.0092045200000000 ] - [ 0.0073636400000000, 0.0087446400000000, 0.0012412400000000 ] - [ 0.0073636400000000, -0.0087446400000000, 0.0012412400000000 ] - [ -0.0011498700000000, 0.0000487700000000, 0.0003231800000000 ] - [ -0.0011498700000000, -0.0000487700000000, 0.0003231800000000 ] - [ -0.0159068000000000, 0.0000000000000000, -0.0019009900000000 ] - [ -0.0062191900000000, 0.0000000000000000, 0.0011291700000000 ] - [ 0.0032914200000000, 0.0000000000000000, -0.0015523000000000 ] - [ 0.0033299100000000, 0.0000000000000000, -0.0015095700000000 ] - [ -0.0030779100000000, 0.0148478700000000, -0.0026915000000000 ] - [ -0.0030779100000000, -0.0148478700000000, -0.0026915000000000 ] - [ 0.0002055200000000, 0.0000000000000000, 0.0020392900000000 ] - [ 0.0001935500000000, 0.0000000000000000, 0.0014925100000000 ] - [ -0.0002233400000000, 0.0005300800000000, -0.0013285600000000 ] - [ -0.0002233400000000, -0.0005300800000000, -0.0013285600000000 ] - [ 0.0273745800000000, 0.0000000000000000, -0.0058750700000000 ] - [ 0.0059238000000000, 0.0000000000000000, -0.0009104300000000 ] - [ 0.0107666200000000, 0.0000000000000000, 0.0005329400000000 ] - [ 0.0044386800000000, 0.0000000000000000, -0.0000636800000000 ] - [ -0.0011667300000000, 0.0000000000000000, -0.0131243800000000 ] - [ 0.0006446100000000, 0.0000000000000000, -0.0049272600000000 ] - [ -0.0003051600000000, 0.0000136000000000, -0.0028860500000000 ] - [ -0.0003051600000000, -0.0000136000000000, -0.0028860500000000 ] - [ -0.0042385200000000, 0.0001262900000000, -0.0010323800000000 ] - [ -0.0042385200000000, -0.0001262900000000, -0.0010323800000000 ] - [ 0.0000796600000000, 0.0001919400000000, -0.0032891700000000 ] - [ 0.0000796600000000, -0.0001919400000000, -0.0032891700000000 ]- atom: 15 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ -0.0001323400000000, 0.0000000000000000, -0.0118995800000000 ] - [ 0.0012958300000000, 0.0000000000000000, -0.0061799100000000 ] - [ 0.0469869900000000, 0.0000000000000000, 0.0087585200000000 ] - [ -0.0039947700000000, 0.0000000000000000, 0.0025211000000000 ] - [ 0.0129833100000000, -0.0029051100000000, -0.0101785100000000 ] - [ 0.0129833100000000, 0.0029051100000000, -0.0101785100000000 ] - [ -0.0060818700000000, 0.0054148200000000, 0.0043651100000000 ] - [ -0.0060818700000000, -0.0054148200000000, 0.0043651100000000 ] - [ 0.0017839600000000, -0.0001704400000000, -0.0006706200000000 ] - [ 0.0017839600000000, 0.0001704400000000, -0.0006706200000000 ] - [ -0.0033928600000000, 0.0000000000000000, 0.0012390500000000 ] - [ -0.0032343500000000, 0.0000000000000000, 0.0008935500000000 ] - [ 0.0263661200000000, 0.0000000000000000, -0.0190237200000000 ] - [ 0.0097893600000000, 0.0000000000000000, -0.0096996700000000 ] - [ -0.2538656800000000, 0.0000000000000000, 0.2057402000000000 ] - [ -0.0125134400000000, 0.0000000000000000, 0.0201115100000000 ] - [ -0.0035138400000000, -0.0004140200000000, -0.0035863000000000 ] - [ -0.0035138400000000, 0.0004140200000000, -0.0035863000000000 ] - [ -0.0009996400000000, 0.0000000000000000, -0.0946944000000000 ] - [ -0.0098149200000000, 0.0000000000000000, -0.0000296500000000 ] - [ 0.0148745900000000, -0.0250002700000000, 0.0154559100000000 ] - [ 0.0148745900000000, 0.0250002700000000, 0.0154559100000000 ] - [ -0.0144636500000000, 0.0000000000000000, 0.0103999700000000 ] - [ -0.0067887400000000, 0.0000000000000000, 0.0062523100000000 ] - [ -0.0032409100000000, 0.0000208700000000, -0.0002532100000000 ] - [ -0.0032409100000000, -0.0000208700000000, -0.0002532100000000 ] - [ -0.0018791100000000, 0.0001432400000000, -0.0030061700000000 ] - [ -0.0018791100000000, -0.0001432400000000, -0.0030061700000000 ] - [ -0.0032854900000000, 0.0000000000000000, -0.0879709700000000 ] - [ 0.0003045700000000, 0.0000000000000000, -0.0009211000000000 ] - [ -0.0061414700000000, 0.0001816900000000, 0.0001593000000000 ] - [ -0.0061414700000000, -0.0001816900000000, 0.0001593000000000 ] - [ 0.0097170100000000, 0.0000000000000000, -0.0031093200000000 ] - [ 0.0073526600000000, 0.0000000000000000, -0.0024221000000000 ] - [ 0.0038838500000000, 0.0033003300000000, -0.0050328600000000 ] - [ 0.0038838500000000, -0.0033003300000000, -0.0050328600000000 ] - [ -0.0052038900000000, 0.0000000000000000, 0.0100246600000000 ] - [ -0.0008776500000000, 0.0000000000000000, 0.0040421200000000 ] - [ 0.0040197600000000, 0.0000000000000000, 0.0017759500000000 ] - [ 0.0044153800000000, 0.0000000000000000, 0.0017734300000000 ] - [ 0.0004861200000000, 0.0000000000000000, 0.0078432100000000 ] - [ 0.0004298300000000, 0.0000000000000000, 0.0052217600000000 ] - [ -0.0026982900000000, -0.0025554200000000, 0.0058115400000000 ] - [ -0.0026982900000000, 0.0025554200000000, 0.0058115400000000 ] - [ 0.0003303600000000, -0.0000063800000000, 0.0004509400000000 ] - [ 0.0003303600000000, 0.0000063800000000, 0.0004509400000000 ] - [ -0.0102561500000000, -0.0003368400000000, 0.0019608400000000 ] - [ -0.0102561500000000, 0.0003368400000000, 0.0019608400000000 ] - [ -0.0078623500000000, 0.0000000000000000, 0.0137502000000000 ] - [ -0.0038729000000000, 0.0000000000000000, 0.0055973300000000 ] - [ 0.0000592400000000, 0.0000121300000000, 0.0014265400000000 ] - [ 0.0000592400000000, -0.0000121300000000, 0.0014265400000000 ] - [ 0.0019810700000000, 0.0000000000000000, 0.0000100800000000 ] - [ 0.0020738700000000, 0.0000000000000000, 0.0000054500000000 ] - [ -0.0101879600000000, 0.0000000000000000, 0.0066583800000000 ] - [ -0.0033749000000000, 0.0000000000000000, 0.0036074700000000 ] - [ -0.0019581200000000, 0.0009170900000000, 0.0019932100000000 ] - [ -0.0019581200000000, -0.0009170900000000, 0.0019932100000000 ] - [ -0.0017498500000000, 0.0185381200000000, 0.0040195800000000 ] - [ -0.0017498500000000, -0.0185381200000000, 0.0040195800000000 ] - [ 0.0031890300000000, 0.0000000000000000, 0.0028510600000000 ] - [ 0.0023149400000000, 0.0000000000000000, 0.0024450600000000 ] - [ -0.0032114000000000, 0.0028217200000000, 0.0040899800000000 ] - [ -0.0032114000000000, -0.0028217200000000, 0.0040899800000000 ] - [ 0.0239463400000000, 0.0000000000000000, 0.0089879700000000 ] - [ 0.0077582000000000, 0.0000000000000000, 0.0018435200000000 ] - [ 0.0018842100000000, 0.0000299500000000, 0.0001042400000000 ] - [ 0.0018842100000000, -0.0000299500000000, 0.0001042400000000 ] - [ -0.0066375200000000, 0.0009409700000000, -0.0010399300000000 ] - [ -0.0066375200000000, -0.0009409700000000, -0.0010399300000000 ] - [ 0.0019353500000000, 0.0006065000000000, -0.0024185000000000 ] - [ 0.0019353500000000, -0.0006065000000000, -0.0024185000000000 ] - [ 0.0009390300000000, 0.0000000000000000, -0.0392114600000000 ] - [ 0.0006098700000000, 0.0000000000000000, -0.0109182700000000 ] - [ -0.0145675500000000, 0.0000000000000000, -0.0077918300000000 ] - [ -0.0009033200000000, 0.0000000000000000, -0.0030268100000000 ] - [ -0.0021865000000000, 0.0000000000000000, -0.0120409000000000 ] - [ 0.0003904700000000, 0.0000000000000000, -0.0042625800000000 ] - [ -0.0002606400000000, 0.0000067800000000, -0.0009512700000000 ] - [ -0.0002606400000000, -0.0000067800000000, -0.0009512700000000 ] - [ 0.0216862200000000, -0.0137010100000000, -0.0050530000000000 ] - [ 0.0216862200000000, 0.0137010100000000, -0.0050530000000000 ] - [ 0.0023198200000000, 0.0004071000000000, -0.0133319700000000 ] - [ 0.0023198200000000, -0.0004071000000000, -0.0133319700000000 ] - [ 0.0011312700000000, 0.0000000000000000, 0.0006651800000000 ] - [ 0.0011254600000000, 0.0000000000000000, 0.0006822900000000 ] - [ 0.1801055500000000, 0.0000000000000000, -0.0279892000000000 ] - [ 0.0116798000000000, 0.0000000000000000, -0.0028430400000000 ] - [ 0.0035760100000000, 0.0000000000000000, 0.0001604600000000 ] - [ 0.0027054600000000, 0.0000000000000000, -0.0000881500000000 ] - [ 0.0023877500000000, -0.0002328900000000, 0.0004362600000000 ] - [ 0.0023877500000000, 0.0002328900000000, 0.0004362600000000 ] - [ -0.0026289600000000, 0.0000000000000000, -0.0064543100000000 ] - [ 0.0007454000000000, 0.0000000000000000, -0.0095685100000000 ] - [ -0.0008687000000000, -0.0086622300000000, -0.0015562800000000 ] - [ -0.0008687000000000, 0.0086622300000000, -0.0015562800000000 ] - [ 0.0004157400000000, -0.0000372100000000, -0.0000537100000000 ] - [ 0.0004157400000000, 0.0000372100000000, -0.0000537100000000 ] - [ 0.0098490500000000, 0.0000000000000000, 0.0030818100000000 ] - [ 0.0000955200000000, 0.0000000000000000, 0.0000045200000000 ] - [ 0.0046230500000000, 0.0000000000000000, -0.0012321500000000 ] - [ 0.0045742400000000, 0.0000000000000000, -0.0012757700000000 ] - [ 0.0061349600000000, -0.0149420600000000, 0.0072462200000000 ] - [ 0.0061349600000000, 0.0149420600000000, 0.0072462200000000 ] - [ 0.0002162200000000, 0.0000000000000000, -0.0009339600000000 ] - [ 0.0002259600000000, 0.0000000000000000, -0.0003510200000000 ] - [ 0.0032157500000000, -0.0005351500000000, 0.0019882500000000 ] - [ 0.0032157500000000, 0.0005351500000000, 0.0019882500000000 ] - [ -0.0268725200000000, 0.0000000000000000, 0.0060850500000000 ] - [ -0.0054173800000000, 0.0000000000000000, 0.0010609600000000 ] - [ -0.0116684500000000, 0.0000000000000000, -0.0007767100000000 ] - [ -0.0054023900000000, 0.0000000000000000, -0.0001975400000000 ] - [ 0.0013373600000000, 0.0000000000000000, 0.0084185500000000 ] - [ -0.0004684300000000, 0.0000000000000000, 0.0002212700000000 ] - [ -0.0002960200000000, -0.0000136600000000, 0.0004665500000000 ] - [ -0.0002960200000000, 0.0000136600000000, 0.0004665500000000 ] - [ -0.0058110700000000, -0.0001267300000000, -0.0004179400000000 ] - [ -0.0058110700000000, 0.0001267300000000, -0.0004179400000000 ] - [ -0.0004780200000000, -0.0001919400000000, 0.0036651400000000 ] - [ -0.0004780200000000, 0.0001919400000000, 0.0036651400000000 ]- atom: 17 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0224230500000000, 0.0500622400000000, -0.0055961000000000 ] - [ 0.0224230500000000, -0.0500622400000000, -0.0055961000000000 ] - [ -0.0010906900000000, -0.0000225600000000, -0.0019089900000000 ] - [ -0.0010906900000000, 0.0000225600000000, -0.0019089900000000 ] - [ 0.0041725900000000, 0.0000000000000000, 0.0042399900000000 ] - [ 0.0038047900000000, 0.0000000000000000, 0.0038109500000000 ] - [ 0.0122502800000000, 0.0000000000000000, 0.0031635700000000 ] - [ 0.0083510500000000, 0.0000000000000000, 0.0015799500000000 ] - [ -0.0044825300000000, 0.0000000000000000, 0.0165808800000000 ] - [ -0.0038562200000000, 0.0000000000000000, 0.0059123600000000 ] - [ -0.0024313600000000, -0.0042750300000000, -0.0156578000000000 ] - [ -0.0024313600000000, 0.0042750300000000, -0.0156578000000000 ] - [ 0.0115122100000000, 0.0002228600000000, -0.0018128800000000 ] - [ 0.0115122100000000, -0.0002228600000000, -0.0018128800000000 ] - [ 0.0006714600000000, -0.0001412200000000, 0.0041755100000000 ] - [ 0.0006714600000000, 0.0001412200000000, 0.0041755100000000 ] - [ -0.3464400900000000, 0.0000000000000000, 0.0020636300000000 ] - [ -0.0274320500000000, 0.0000000000000000, -0.0048368600000000 ] - [ 0.0021625900000000, 0.0011595600000000, 0.0114573300000000 ] - [ 0.0021625900000000, -0.0011595600000000, 0.0114573300000000 ] - [ 0.0107046500000000, 0.0000000000000000, 0.0061160900000000 ] - [ 0.0088936000000000, 0.0000000000000000, 0.0049081100000000 ] - [ -0.0185884500000000, 0.0000038800000000, 0.0069793500000000 ] - [ -0.0185884500000000, -0.0000038800000000, 0.0069793500000000 ] - [ 0.0969314900000000, 0.0000000000000000, -0.0040624700000000 ] - [ -0.0028852600000000, 0.0000000000000000, 0.0004482300000000 ] - [ -0.0155779100000000, 0.0000000000000000, -0.0058177100000000 ] - [ -0.0115999400000000, 0.0000000000000000, -0.0073896900000000 ] - [ 0.0061493500000000, -0.0002990500000000, -0.0004254300000000 ] - [ 0.0061493500000000, 0.0002990500000000, -0.0004254300000000 ] - [ 0.0006396300000000, 0.0000000000000000, -0.0055828600000000 ] - [ -0.0013158800000000, 0.0000000000000000, -0.0038918300000000 ] - [ -0.0002325500000000, 0.0003238800000000, -0.0237141200000000 ] - [ -0.0002325500000000, -0.0003238800000000, -0.0237141200000000 ] - [ 0.0048245200000000, 0.0000000000000000, 0.0050707200000000 ] - [ 0.0040432400000000, 0.0000000000000000, 0.0048581600000000 ] - [ -0.0012070900000000, -0.0000547600000000, 0.0011755300000000 ] - [ -0.0012070900000000, 0.0000547600000000, 0.0011755300000000 ] - [ 0.0081385900000000, 0.0011232900000000, 0.0028622600000000 ] - [ 0.0081385900000000, -0.0011232900000000, 0.0028622600000000 ] - [ -0.0006610300000000, -0.0039643000000000, 0.0226671300000000 ] - [ -0.0006610300000000, 0.0039643000000000, 0.0226671300000000 ] - [ -0.0017542500000000, 0.0000000000000000, -0.0004479900000000 ] - [ -0.0016564500000000, 0.0000000000000000, -0.0003208100000000 ] - [ 0.0108179400000000, 0.0000000000000000, -0.0005828500000000 ] - [ 0.0071201400000000, 0.0000000000000000, -0.0003520100000000 ] - [ -0.0050919700000000, 0.0000000000000000, -0.0005347400000000 ] - [ -0.0048050500000000, 0.0000000000000000, -0.0004857400000000 ] - [ -0.0130514500000000, -0.0021074000000000, -0.0037864400000000 ] - [ -0.0130514500000000, 0.0021074000000000, -0.0037864400000000 ] - [ 0.0196403800000000, 0.0000000000000000, -0.0135472200000000 ] - [ 0.0034425000000000, 0.0000000000000000, 0.0067468100000000 ] - [ 0.0032563500000000, 0.0018128500000000, -0.0026349800000000 ] - [ 0.0032563500000000, -0.0018128500000000, -0.0026349800000000 ] - [ -0.0031194100000000, -0.0000207300000000, -0.0012989400000000 ] - [ -0.0031194100000000, 0.0000207300000000, -0.0012989400000000 ] - [ 0.0046222800000000, 0.0000000000000000, 0.0025983200000000 ] - [ 0.0069658100000000, 0.0000000000000000, -0.0010059800000000 ] - [ 0.0013152800000000, 0.0000000000000000, -0.0031017500000000 ] - [ 0.0016334200000000, 0.0000000000000000, -0.0027337000000000 ] - [ 0.0281358600000000, 0.0287583500000000, 0.0087722700000000 ] - [ 0.0281358600000000, -0.0287583500000000, 0.0087722700000000 ] - [ -0.0008691100000000, 0.0000000000000000, -0.0044431000000000 ] - [ -0.0006942100000000, 0.0000000000000000, -0.0037300500000000 ] - [ 0.0016967900000000, -0.0025935300000000, -0.0060539800000000 ] - [ 0.0016967900000000, 0.0025935300000000, -0.0060539800000000 ] - [ 0.1760484400000000, 0.0000000000000000, -0.0236225900000000 ] - [ 0.0219755000000000, 0.0000000000000000, 0.0000461000000000 ] - [ -0.0062171400000000, 0.0000000000000000, -0.0018139800000000 ] - [ -0.0044269800000000, 0.0000000000000000, -0.0009435000000000 ] - [ 0.0120246300000000, 0.0000000000000000, 0.0053345300000000 ] - [ 0.0029271300000000, 0.0000000000000000, -0.0046480200000000 ] - [ -0.0008230400000000, 0.0000298800000000, -0.0072493600000000 ] - [ -0.0008230400000000, -0.0000298800000000, -0.0072493600000000 ] - [ -0.0070733800000000, 0.0004334400000000, -0.0016715400000000 ] - [ -0.0070733800000000, -0.0004334400000000, -0.0016715400000000 ] - [ 0.0003111700000000, 0.0001346200000000, 0.0010816400000000 ] - [ 0.0003111700000000, -0.0001346200000000, 0.0010816400000000 ] - [ -0.0078681000000000, 0.0000000000000000, -0.0194142300000000 ] - [ -0.0002879100000000, 0.0000000000000000, -0.0037920600000000 ] - [ 0.0029622000000000, 0.0000000000000000, 0.0005347300000000 ] - [ 0.0032091000000000, 0.0000000000000000, 0.0005968600000000 ] - [ -0.0005387200000000, 0.0000000000000000, -0.0036915800000000 ] - [ -0.0001856100000000, 0.0000000000000000, -0.0024140000000000 ] - [ -0.0059956600000000, 0.0194270100000000, 0.0071052200000000 ] - [ -0.0059956600000000, -0.0194270100000000, 0.0071052200000000 ] - [ -0.0000250900000000, 0.0000052700000000, -0.0000683800000000 ] - [ -0.0000250900000000, -0.0000052700000000, -0.0000683800000000 ] - [ 0.0099803900000000, 0.0023214400000000, 0.0042607200000000 ] - [ 0.0099803900000000, -0.0023214400000000, 0.0042607200000000 ] - [ -0.0197144100000000, 0.0000000000000000, 0.0047719500000000 ] - [ -0.0084403200000000, 0.0000000000000000, 0.0011919500000000 ] - [ -0.0009858100000000, 0.0000404600000000, -0.0023248900000000 ] - [ -0.0009858100000000, -0.0000404600000000, -0.0023248900000000 ] - [ 0.0027515700000000, 0.0000000000000000, 0.0003251400000000 ] - [ 0.0027844700000000, 0.0000000000000000, 0.0002672000000000 ] - [ -0.0049037800000000, 0.0000000000000000, 0.0083805500000000 ] - [ -0.0004112700000000, 0.0000000000000000, 0.0034618400000000 ] - [ -0.0064422200000000, 0.0008495100000000, 0.0003188200000000 ] - [ -0.0064422200000000, -0.0008495100000000, 0.0003188200000000 ] - [ 0.0033192800000000, 0.0012429900000000, 0.0005006100000000 ] - [ 0.0033192800000000, -0.0012429900000000, 0.0005006100000000 ] - [ -0.0009260600000000, 0.0000000000000000, 0.0017250300000000 ] - [ -0.0004162500000000, 0.0000000000000000, 0.0017619700000000 ] - [ 0.0007407800000000, 0.0001800800000000, 0.0134942700000000 ] - [ 0.0007407800000000, -0.0001800800000000, 0.0134942700000000 ] - [ -0.0026645800000000, 0.0000000000000000, 0.0006454600000000 ] - [ -0.0010215000000000, 0.0000000000000000, 0.0005729700000000 ] - [ -0.0066788200000000, 0.0000087700000000, -0.0001485300000000 ] - [ -0.0066788200000000, -0.0000087700000000, -0.0001485300000000 ] - [ -0.0016383900000000, 0.0000316300000000, 0.0018035800000000 ] - [ -0.0016383900000000, -0.0000316300000000, 0.0018035800000000 ] - [ -0.0009741600000000, 0.0002243100000000, -0.0030959900000000 ] - [ -0.0009741600000000, -0.0002243100000000, -0.0030959900000000 ] - [ 0.0002349200000000, 0.0000000000000000, 0.0037157400000000 ] - [ -0.0000555000000000, 0.0000000000000000, 0.0038954200000000 ] - [ -0.0010405000000000, 0.0000000000000000, 0.0029690300000000 ] - [ -0.0015471600000000, 0.0000000000000000, 0.0026719600000000 ] - [ -0.0004021500000000, 0.0000000000000000, -0.0034972300000000 ] - [ -0.0005212700000000, 0.0000000000000000, -0.0026734500000000 ]- atom: 17 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ -0.0182016400000000, -0.0506663500000000, 0.0032736100000000 ] - [ -0.0182016400000000, 0.0506663500000000, 0.0032736100000000 ] - [ -0.0059381700000000, 0.0000151200000000, 0.0017983700000000 ] - [ -0.0059381700000000, -0.0000151200000000, 0.0017983700000000 ] - [ -0.0069075900000000, 0.0000000000000000, -0.0043306500000000 ] - [ -0.0065322800000000, 0.0000000000000000, -0.0039053800000000 ] - [ -0.0079054300000000, 0.0000000000000000, -0.0055459000000000 ] - [ -0.0039939500000000, 0.0000000000000000, -0.0039634700000000 ] - [ -0.0026347800000000, 0.0000000000000000, -0.0167894800000000 ] - [ -0.0032034000000000, 0.0000000000000000, -0.0060474700000000 ] - [ -0.0001538300000000, 0.0042640800000000, 0.0156166000000000 ] - [ -0.0001538300000000, -0.0042640800000000, 0.0156166000000000 ] - [ -0.0126393600000000, -0.0002264400000000, -0.0018516800000000 ] - [ -0.0126393600000000, 0.0002264400000000, -0.0018516800000000 ] - [ -0.0072759800000000, 0.0001392300000000, -0.0058154100000000 ] - [ -0.0072759800000000, -0.0001392300000000, -0.0058154100000000 ] - [ 0.3313737400000000, 0.0000000000000000, -0.0036351800000000 ] - [ 0.0251352100000000, 0.0000000000000000, 0.0004599100000000 ] - [ -0.0100647400000000, -0.0011730200000000, -0.0078027100000000 ] - [ -0.0100647400000000, 0.0011730200000000, -0.0078027100000000 ] - [ -0.0035608800000000, 0.0000000000000000, -0.0067188700000000 ] - [ -0.0017267300000000, 0.0000000000000000, -0.0055082900000000 ] - [ 0.0168540300000000, -0.0000770200000000, -0.0015009500000000 ] - [ 0.0168540300000000, 0.0000770200000000, -0.0015009500000000 ] - [ -0.0978529600000000, 0.0000000000000000, 0.0002670100000000 ] - [ 0.0018810700000000, 0.0000000000000000, -0.0041087300000000 ] - [ 0.0090994400000000, 0.0000000000000000, 0.0037122900000000 ] - [ 0.0050549200000000, 0.0000000000000000, 0.0057136600000000 ] - [ -0.0085604600000000, 0.0003002600000000, -0.0039906900000000 ] - [ -0.0085604600000000, -0.0003002600000000, -0.0039906900000000 ] - [ -0.0084327400000000, 0.0000000000000000, 0.0092696600000000 ] - [ -0.0064883000000000, 0.0000000000000000, 0.0076066000000000 ] - [ 0.0075259900000000, -0.0003127600000000, 0.0232835400000000 ] - [ 0.0075259900000000, 0.0003127600000000, 0.0232835400000000 ] - [ -0.0066504500000000, 0.0000000000000000, 0.0002919600000000 ] - [ -0.0058651700000000, 0.0000000000000000, 0.0005166800000000 ] - [ 0.0009779300000000, 0.0000542700000000, -0.0004223100000000 ] - [ 0.0009779300000000, -0.0000542700000000, -0.0004223100000000 ] - [ 0.0017545000000000, -0.0011776900000000, 0.0000759200000000 ] - [ 0.0017545000000000, 0.0011776900000000, 0.0000759200000000 ] - [ 0.0019092100000000, 0.0040266100000000, -0.0211658500000000 ] - [ 0.0019092100000000, -0.0040266100000000, -0.0211658500000000 ] - [ 0.0030147700000000, 0.0000000000000000, 0.0022738700000000 ] - [ 0.0029151100000000, 0.0000000000000000, 0.0021469700000000 ] - [ -0.0065562900000000, 0.0000000000000000, 0.0009214800000000 ] - [ -0.0029788200000000, 0.0000000000000000, 0.0006169500000000 ] - [ 0.0053943200000000, 0.0000000000000000, 0.0005042600000000 ] - [ 0.0051080700000000, 0.0000000000000000, 0.0004555400000000 ] - [ 0.0117596500000000, 0.0021200400000000, 0.0039040500000000 ] - [ 0.0117596500000000, -0.0021200400000000, 0.0039040500000000 ] - [ -0.0192954500000000, 0.0000000000000000, 0.0123859600000000 ] - [ -0.0035879600000000, 0.0000000000000000, -0.0068089100000000 ] - [ 0.0032564400000000, -0.0018287900000000, 0.0023407900000000 ] - [ 0.0032564400000000, 0.0018287900000000, 0.0023407900000000 ] - [ 0.0024038300000000, 0.0000203900000000, 0.0015718500000000 ] - [ 0.0024038300000000, -0.0000203900000000, 0.0015718500000000 ] - [ -0.0138112200000000, 0.0000000000000000, -0.0015922600000000 ] - [ -0.0131715800000000, 0.0000000000000000, 0.0021445800000000 ] - [ 0.0066042700000000, 0.0000000000000000, 0.0003261700000000 ] - [ 0.0062805700000000, 0.0000000000000000, -0.0000474000000000 ] - [ -0.0245956100000000, -0.0289177000000000, -0.0043606800000000 ] - [ -0.0245956100000000, 0.0289177000000000, -0.0043606800000000 ] - [ 0.0012923100000000, 0.0000000000000000, 0.0055889600000000 ] - [ 0.0011145000000000, 0.0000000000000000, 0.0048825600000000 ] - [ 0.0012891900000000, 0.0026398700000000, 0.0067739400000000 ] - [ 0.0012891900000000, -0.0026398700000000, 0.0067739400000000 ] - [ -0.1613890700000000, 0.0000000000000000, 0.0221314100000000 ] - [ -0.0214902800000000, 0.0000000000000000, 0.0000970500000000 ] - [ 0.0053087900000000, 0.0000000000000000, 0.0015569100000000 ] - [ 0.0034904900000000, 0.0000000000000000, 0.0006819300000000 ] - [ -0.0116800000000000, 0.0000000000000000, -0.0097216300000000 ] - [ -0.0027676700000000, 0.0000000000000000, -0.0001312600000000 ] - [ 0.0002260300000000, -0.0000298900000000, 0.0048747900000000 ] - [ 0.0002260300000000, 0.0000298900000000, 0.0048747900000000 ] - [ -0.0029792200000000, -0.0004382400000000, 0.0002245600000000 ] - [ -0.0029792200000000, 0.0004382400000000, 0.0002245600000000 ] - [ -0.0007142500000000, -0.0001300000000000, -0.0007221200000000 ] - [ -0.0007142500000000, 0.0001300000000000, -0.0007221200000000 ] - [ 0.0076011200000000, 0.0000000000000000, 0.0204000000000000 ] - [ 0.0000504800000000, 0.0000000000000000, 0.0045521300000000 ] - [ 0.0070007600000000, 0.0000000000000000, 0.0023787100000000 ] - [ 0.0067521700000000, 0.0000000000000000, 0.0023165800000000 ] - [ 0.0017908800000000, 0.0000000000000000, 0.0053884000000000 ] - [ 0.0014382400000000, 0.0000000000000000, 0.0041258600000000 ] - [ 0.0072073700000000, -0.0195414400000000, -0.0053311800000000 ] - [ 0.0072073700000000, 0.0195414400000000, -0.0053311800000000 ] - [ 0.0041758800000000, -0.0000071900000000, 0.0003306200000000 ] - [ 0.0041758800000000, 0.0000071900000000, 0.0003306200000000 ] - [ -0.0097478100000000, -0.0022834200000000, -0.0042466600000000 ] - [ -0.0097478100000000, 0.0022834200000000, -0.0042466600000000 ] - [ 0.0184368500000000, 0.0000000000000000, -0.0046609100000000 ] - [ 0.0071209000000000, 0.0000000000000000, -0.0010868200000000 ] - [ 0.0008562100000000, -0.0000411400000000, 0.0021996400000000 ] - [ 0.0008562100000000, 0.0000411400000000, 0.0021996400000000 ] - [ 0.0037537500000000, 0.0000000000000000, -0.0006254400000000 ] - [ 0.0037201900000000, 0.0000000000000000, -0.0005681300000000 ] - [ 0.0041143600000000, 0.0000000000000000, -0.0081335100000000 ] - [ -0.0003533200000000, 0.0000000000000000, -0.0032171400000000 ] - [ 0.0003402400000000, -0.0008493000000000, 0.0008238200000000 ] - [ 0.0003402400000000, 0.0008493000000000, 0.0008238200000000 ] - [ 0.0045511800000000, -0.0012494800000000, -0.0032912100000000 ] - [ 0.0045511800000000, 0.0012494800000000, -0.0032912100000000 ] - [ 0.0039762400000000, 0.0000000000000000, 0.0028004900000000 ] - [ 0.0034656800000000, 0.0000000000000000, 0.0027621900000000 ] - [ -0.0003458300000000, -0.0001821300000000, -0.0123923200000000 ] - [ -0.0003458300000000, 0.0001821300000000, -0.0123923200000000 ] - [ 0.0056549600000000, 0.0000000000000000, 0.0000112300000000 ] - [ 0.0040039900000000, 0.0000000000000000, 0.0000813200000000 ] - [ 0.0072219000000000, -0.0000088100000000, 0.0003094700000000 ] - [ 0.0072219000000000, 0.0000088100000000, 0.0003094700000000 ] - [ 0.0006421700000000, -0.0000341500000000, -0.0020790400000000 ] - [ 0.0006421700000000, 0.0000341500000000, -0.0020790400000000 ] - [ 0.0011619800000000, -0.0002281800000000, -0.0015911900000000 ] - [ 0.0011619800000000, 0.0002281800000000, -0.0015911900000000 ] - [ -0.0008426900000000, 0.0000000000000000, -0.0060212800000000 ] - [ -0.0005510100000000, 0.0000000000000000, -0.0062859400000000 ] - [ -0.0090951800000000, 0.0000000000000000, -0.0044282400000000 ] - [ -0.0085625100000000, 0.0000000000000000, -0.0041430000000000 ] - [ 0.0000159600000000, 0.0000000000000000, 0.0039124100000000 ] - [ 0.0001299100000000, 0.0000000000000000, 0.0030684500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0378130200000000, 0.0018615200000000, -0.0019065700000000 ] - [ -0.0339382900000000, 0.0020319400000000, -0.0003429500000000 ] - [ -0.0029473600000000, -0.0000232400000000, 0.0019333400000000 ] - [ -0.0040375100000000, -0.0000292100000000, -0.0020953500000000 ] - [ -0.0013822300000000, -0.0010549900000000, -0.0000518800000000 ] - [ -0.0013807500000000, 0.0010473200000000, -0.0000510100000000 ] - [ 0.0021591700000000, -0.0000972400000000, -0.0012026300000000 ] - [ 0.0021548700000000, 0.0000864900000000, -0.0012057600000000 ] - [ -0.0035668900000000, -0.0003447500000000, -0.0001116000000000 ] - [ -0.0035286500000000, 0.0003028700000000, -0.0000827000000000 ] - [ -0.0053665700000000, 0.0000835900000000, 0.0005775500000000 ] - [ 0.0028329100000000, 0.0000592600000000, -0.0005464700000000 ] - [ 0.0018658900000000, 0.0000072900000000, -0.0019676600000000 ] - [ -0.0030085100000000, 0.0000075100000000, -0.0017109000000000 ] - [ -0.0027196800000000, -0.0000004900000000, 0.0000024200000000 ] - [ -0.0039386100000000, -0.0000001500000000, -0.0016638800000000 ] - [ 0.0009245700000000, -0.2786334000000000, -0.0003169100000000 ] - [ -0.0011326500000000, 0.1291923600000000, -0.0022113700000000 ] - [ 0.0005056600000000, 0.0000196900000000, 0.0042634500000000 ] - [ -0.0084378200000000, 0.0000208100000000, -0.0005995900000000 ] - [ 0.0035592100000000, -0.0001875900000000, -0.0003112800000000 ] - [ 0.0035669400000000, 0.0001867900000000, -0.0003105900000000 ] - [ 0.0023998200000000, 0.0017200800000000, 0.0352642200000000 ] - [ -0.0040603000000000, 0.0018403800000000, -0.0302341000000000 ] - [ -0.0009777200000000, -0.0034129400000000, -0.0018266000000000 ] - [ -0.0004706900000000, 0.0022747900000000, -0.0018527200000000 ] - [ -0.0032861300000000, -0.0033737100000000, -0.0012129800000000 ] - [ -0.0032960500000000, 0.0021657700000000, -0.0007568000000000 ] - [ -0.0009254800000000, 0.0000044200000000, -0.0020955000000000 ] - [ -0.0015252100000000, 0.0000034800000000, -0.0023530700000000 ] - [ -0.0039203700000000, -0.0004751200000000, 0.0018537700000000 ] - [ -0.0039128700000000, 0.0005336500000000, 0.0018616300000000 ] - [ 0.0034721100000000, 0.0000771000000000, -0.0039855400000000 ] - [ 0.0038986400000000, 0.0000439800000000, 0.0035429100000000 ] - [ -0.0009215700000000, -0.0000777100000000, 0.0026809200000000 ] - [ -0.0009188900000000, 0.0000627100000000, 0.0026862200000000 ] - [ -0.0003237100000000, 0.0000017800000000, 0.0003058500000000 ] - [ 0.0001019900000000, 0.0000027000000000, 0.0004609800000000 ] - [ 0.0053746100000000, -0.0002233100000000, 0.0018409200000000 ] - [ 0.0044981000000000, -0.0000292200000000, 0.0011627000000000 ] - [ -0.0013820200000000, 0.0000050700000000, 0.0052326100000000 ] - [ 0.0026351100000000, 0.0000099400000000, -0.0037021600000000 ] - [ 0.0006354500000000, 0.0010307400000000, 0.0009220900000000 ] - [ 0.0006354700000000, -0.0010565000000000, 0.0009204300000000 ] - [ 0.0021168000000000, 0.0004772700000000, 0.0001636600000000 ] - [ 0.0020724900000000, -0.0002098600000000, 0.0001268300000000 ] - [ 0.0001632100000000, 0.0001078300000000, -0.0000147500000000 ] - [ 0.0001624200000000, -0.0000979000000000, -0.0000147200000000 ] - [ -0.0059874100000000, 0.0000252100000000, -0.0023784200000000 ] - [ 0.0047304000000000, 0.0000040700000000, 0.0025086300000000 ] - [ -0.0000899400000000, 0.0163350800000000, -0.0005057800000000 ] - [ -0.0000892800000000, -0.0080353700000000, -0.0001008400000000 ] - [ 0.0033417800000000, -0.0000105300000000, -0.0000526700000000 ] - [ 0.0031800200000000, 0.0000021200000000, -0.0002298500000000 ] - [ -0.0016540400000000, -0.0000010500000000, -0.0001684200000000 ] - [ 0.0009532600000000, 0.0000012900000000, 0.0004459000000000 ] - [ -0.0026367900000000, 0.0195749000000000, 0.0005484300000000 ] - [ -0.0030525800000000, -0.0180590100000000, 0.0005646300000000 ] - [ 0.0039686300000000, 0.0022403700000000, -0.0013880800000000 ] - [ 0.0039670600000000, -0.0022444800000000, -0.0013877200000000 ] - [ 0.0193059100000000, 0.0601134500000000, 0.0202542600000000 ] - [ -0.0178061800000000, 0.0665857700000000, -0.0170581900000000 ] - [ 0.0002151100000000, 0.0001050500000000, 0.0005738400000000 ] - [ 0.0002141800000000, -0.0001044500000000, 0.0005750000000000 ] - [ -0.0047114100000000, 0.0000545300000000, -0.0043531500000000 ] - [ 0.0077895400000000, 0.0000559600000000, 0.0050750200000000 ] - [ -0.0000490000000000, 0.0146918100000000, 0.0001215900000000 ] - [ 0.0001702900000000, -0.0071498700000000, 0.0000663500000000 ] - [ -0.0004540100000000, 0.0000160100000000, -0.0001241000000000 ] - [ -0.0004622300000000, -0.0000186200000000, -0.0001268900000000 ] - [ 0.0000982200000000, 0.0149857500000000, -0.0020231300000000 ] - [ 0.0000816300000000, -0.0137513800000000, -0.0023384600000000 ] - [ -0.0005889700000000, -0.0000005300000000, -0.0025967200000000 ] - [ -0.0000061200000000, -0.0000009600000000, 0.0002351900000000 ] - [ -0.0051697000000000, -0.0000009200000000, -0.0007575000000000 ] - [ -0.0048691500000000, 0.0000008300000000, -0.0006847600000000 ] - [ -0.0013782400000000, 0.0001917500000000, -0.0059638700000000 ] - [ 0.0009759800000000, 0.0001765300000000, 0.0063987800000000 ] - [ -0.0000817600000000, 0.0002801500000000, 0.0004232000000000 ] - [ -0.0001139300000000, -0.0002020800000000, 0.0003917400000000 ] - [ 0.0049898200000000, 0.0004814300000000, 0.0014582400000000 ] - [ 0.0049891000000000, -0.0004802100000000, 0.0014580500000000 ] - [ 0.0006288500000000, 0.0000185100000000, 0.0008672000000000 ] - [ 0.0006282700000000, -0.0000277100000000, 0.0008722400000000 ] - [ 0.0011860600000000, -0.0005678000000000, 0.0012388000000000 ] - [ 0.0001775200000000, -0.0003255900000000, 0.0005149800000000 ] - [ 0.0016015700000000, -0.0000017700000000, -0.0000864700000000 ] - [ 0.0025670700000000, -0.0000003800000000, 0.0003497200000000 ] - [ 0.0029939300000000, -0.0001508400000000, -0.0028827500000000 ] - [ -0.0029580400000000, -0.0001411400000000, 0.0028656000000000 ] - [ -0.0006376000000000, -0.0001582300000000, 0.0000538300000000 ] - [ -0.0006360600000000, -0.0001635500000000, 0.0000513600000000 ] - [ -0.0001427400000000, -0.0000002400000000, -0.0002555200000000 ] - [ 0.0000098400000000, -0.0000001900000000, 0.0001583500000000 ] - [ 0.0032492900000000, 0.0013599100000000, -0.0001448000000000 ] - [ 0.0032486700000000, -0.0013464900000000, -0.0001435400000000 ] - [ -0.0003722900000000, 0.0012347000000000, 0.0001039100000000 ] - [ -0.0003874800000000, -0.0011774800000000, 0.0001154900000000 ] - [ -0.0031165200000000, -0.0000088700000000, 0.0005638600000000 ] - [ -0.0029699000000000, -0.0000110700000000, 0.0005822900000000 ] - [ 0.0044459100000000, -0.0000290600000000, -0.0013754000000000 ] - [ 0.0034399500000000, -0.0000271300000000, -0.0014227000000000 ] - [ 0.0015349500000000, 0.0001324300000000, 0.0022658600000000 ] - [ 0.0015349000000000, -0.0001360300000000, 0.0022645700000000 ] - [ 0.0007018200000000, -0.0000033300000000, -0.0000491500000000 ] - [ -0.0003144200000000, 0.0000006000000000, 0.0011217200000000 ] - [ 0.0015036600000000, 0.0000542800000000, 0.0003293600000000 ] - [ 0.0015011900000000, -0.0000343900000000, 0.0003265800000000 ] - [ -0.0002553000000000, -0.0000040100000000, -0.0000110700000000 ] - [ 0.0008253100000000, -0.0000036100000000, 0.0001681300000000 ] - [ -0.0013630800000000, 0.0000012300000000, 0.0001367600000000 ] - [ 0.0003057200000000, 0.0000033200000000, -0.0004034700000000 ] - [ 0.0000761900000000, 0.0000024100000000, -0.0023953900000000 ] - [ 0.0001162400000000, 0.0000048700000000, -0.0022915900000000 ] - [ -0.0003053200000000, -0.0001426700000000, -0.0011756400000000 ] - [ -0.0003026700000000, -0.0001597100000000, -0.0011879000000000 ] - [ -0.0050818300000000, 0.0019688400000000, -0.0007217600000000 ] - [ -0.0050589500000000, -0.0019596400000000, -0.0007382800000000 ] - [ -0.0001918000000000, 0.0000080100000000, 0.0002085500000000 ] - [ -0.0001949900000000, -0.0000125700000000, 0.0002014800000000 ]- atom: 17 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0069904200000000, -0.0291391000000000, -0.0115338000000000 ] - [ -0.0069904200000000, 0.0291391000000000, -0.0115338000000000 ] - [ -0.0083078600000000, 0.0002829300000000, 0.0077038800000000 ] - [ -0.0083078600000000, -0.0002829300000000, 0.0077038800000000 ] - [ -0.0006380000000000, 0.0000000000000000, -0.0013307400000000 ] - [ -0.0008014900000000, 0.0000000000000000, -0.0011273900000000 ] - [ -0.0022452400000000, 0.0000000000000000, -0.0022825500000000 ] - [ -0.0004635100000000, 0.0000000000000000, -0.0017809700000000 ] - [ 0.0129178400000000, 0.0000000000000000, -0.0095965900000000 ] - [ 0.0021048300000000, 0.0000000000000000, -0.0033608100000000 ] - [ -0.0152163000000000, 0.0026602800000000, 0.0126506000000000 ] - [ -0.0152163000000000, -0.0026602800000000, 0.0126506000000000 ] - [ -0.0057038300000000, -0.0001428400000000, -0.0013981900000000 ] - [ -0.0057038300000000, 0.0001428400000000, -0.0013981900000000 ] - [ -0.0023613500000000, 0.0000583200000000, -0.0002424000000000 ] - [ -0.0023613500000000, -0.0000583200000000, -0.0002424000000000 ] - [ 0.1691842300000000, 0.0000000000000000, -0.3559349600000000 ] - [ 0.0097320800000000, 0.0000000000000000, -0.0179574300000000 ] - [ 0.0003590700000000, -0.0003763800000000, -0.0023822000000000 ] - [ 0.0003590700000000, 0.0003763800000000, -0.0023822000000000 ] - [ 0.0039454800000000, 0.0000000000000000, -0.0024022100000000 ] - [ 0.0044380300000000, 0.0000000000000000, -0.0018121600000000 ] - [ 0.0084509100000000, 0.0369590000000000, 0.0165174300000000 ] - [ 0.0084509100000000, -0.0369590000000000, 0.0165174300000000 ] - [ -0.0615741800000000, 0.0000000000000000, -0.0065449000000000 ] - [ -0.0025229000000000, 0.0000000000000000, -0.0068432900000000 ] - [ 0.0043802700000000, 0.0000000000000000, 0.0877952100000000 ] - [ 0.0028187500000000, 0.0000000000000000, 0.0023664800000000 ] - [ -0.0033419900000000, 0.0000398900000000, -0.0012083200000000 ] - [ -0.0033419900000000, -0.0000398900000000, -0.0012083200000000 ] - [ -0.0096549400000000, 0.0000000000000000, 0.0169389200000000 ] - [ -0.0075876900000000, 0.0000000000000000, 0.0112786600000000 ] - [ -0.0074709500000000, -0.0053117000000000, 0.0174144100000000 ] - [ -0.0074709500000000, 0.0053117000000000, 0.0174144100000000 ] - [ -0.0002985600000000, 0.0000000000000000, 0.0051477900000000 ] - [ -0.0008110000000000, 0.0000000000000000, 0.0038692200000000 ] - [ 0.0006197200000000, 0.0000138600000000, -0.0015083000000000 ] - [ 0.0006197200000000, -0.0000138600000000, -0.0015083000000000 ] - [ 0.0083817200000000, 0.0139065600000000, -0.0056880300000000 ] - [ 0.0083817200000000, -0.0139065600000000, -0.0056880300000000 ] - [ 0.0041976000000000, 0.0033665900000000, -0.0049386000000000 ] - [ 0.0041976000000000, -0.0033665900000000, -0.0049386000000000 ] - [ 0.0015020400000000, 0.0000000000000000, 0.0014816400000000 ] - [ 0.0014603400000000, 0.0000000000000000, 0.0014386800000000 ] - [ -0.0201599800000000, 0.0000000000000000, -0.0072315600000000 ] - [ -0.0036100400000000, 0.0000000000000000, 0.0003229300000000 ] - [ -0.0007632400000000, 0.0000000000000000, -0.0000084100000000 ] - [ -0.0002879800000000, 0.0000000000000000, 0.0000459500000000 ] - [ 0.0057939800000000, 0.0013947500000000, 0.0033881200000000 ] - [ 0.0057939800000000, -0.0013947500000000, 0.0033881200000000 ] - [ -0.0208602300000000, 0.0000000000000000, 0.2293088900000000 ] - [ -0.0009432800000000, 0.0000000000000000, 0.0113805800000000 ] - [ 0.0011696000000000, 0.0006455900000000, 0.0011568200000000 ] - [ 0.0011696000000000, -0.0006455900000000, 0.0011568200000000 ] - [ -0.0006697200000000, 0.0000385200000000, 0.0008589700000000 ] - [ -0.0006697200000000, -0.0000385200000000, 0.0008589700000000 ] - [ 0.0016940200000000, 0.0000000000000000, 0.0112498600000000 ] - [ -0.0101498300000000, 0.0000000000000000, 0.0033561500000000 ] - [ 0.0033335300000000, 0.0000000000000000, -0.0003324800000000 ] - [ 0.0033922200000000, 0.0000000000000000, -0.0005225600000000 ] - [ -0.0068924100000000, 0.0055159000000000, 0.0194925200000000 ] - [ -0.0068924100000000, -0.0055159000000000, 0.0194925200000000 ] - [ 0.0001496800000000, 0.0000000000000000, 0.0017255900000000 ] - [ 0.0000978500000000, 0.0000000000000000, 0.0013942600000000 ] - [ -0.0073187100000000, -0.0007976900000000, 0.0048968800000000 ] - [ -0.0073187100000000, 0.0007976900000000, 0.0048968800000000 ] - [ -0.0957231300000000, 0.0000000000000000, 0.0309990900000000 ] - [ -0.0074131400000000, 0.0000000000000000, 0.0022249900000000 ] - [ -0.0024243600000000, 0.0000000000000000, 0.0005688300000000 ] - [ -0.0021543900000000, 0.0000000000000000, 0.0001578200000000 ] - [ -0.0073023800000000, 0.0000000000000000, -0.0146085900000000 ] - [ -0.0012797200000000, 0.0000000000000000, 0.0060743900000000 ] - [ -0.0006218400000000, -0.0000589800000000, -0.0004758100000000 ] - [ -0.0006218400000000, 0.0000589800000000, -0.0004758100000000 ] - [ -0.0051764800000000, -0.0001446000000000, -0.0005356800000000 ] - [ -0.0051764800000000, 0.0001446000000000, -0.0005356800000000 ] - [ -0.0008233200000000, -0.0014563200000000, -0.0090294200000000 ] - [ -0.0008233200000000, 0.0014563200000000, -0.0090294200000000 ] - [ 0.0043003700000000, 0.0000000000000000, 0.0177093700000000 ] - [ -0.0002048500000000, 0.0000000000000000, 0.0057673200000000 ] - [ 0.0047536700000000, 0.0000000000000000, 0.0014282500000000 ] - [ 0.0047454900000000, 0.0000000000000000, 0.0014090800000000 ] - [ 0.0008402500000000, 0.0000000000000000, 0.0027611300000000 ] - [ 0.0007574800000000, 0.0000000000000000, 0.0021306100000000 ] - [ 0.0054348000000000, -0.0105502300000000, -0.0014532600000000 ] - [ 0.0054348000000000, 0.0105502300000000, -0.0014532600000000 ] - [ 0.0016827100000000, -0.0000190800000000, -0.0004316900000000 ] - [ 0.0016827100000000, 0.0000190800000000, -0.0004316900000000 ] - [ 0.0107692600000000, -0.0042598300000000, -0.0035036400000000 ] - [ 0.0107692600000000, 0.0042598300000000, -0.0035036400000000 ] - [ 0.0106046300000000, 0.0000000000000000, -0.0043133800000000 ] - [ 0.0041573500000000, 0.0000000000000000, -0.0015673500000000 ] - [ 0.0000567100000000, -0.0000087300000000, -0.0008094200000000 ] - [ 0.0000567100000000, 0.0000087300000000, -0.0008094200000000 ] - [ 0.0042520300000000, 0.0000000000000000, -0.0022119100000000 ] - [ 0.0041880400000000, 0.0000000000000000, -0.0020172700000000 ] - [ 0.0061213600000000, 0.0000000000000000, -0.0040385400000000 ] - [ 0.0026237800000000, 0.0000000000000000, -0.0011089700000000 ] - [ -0.0018989700000000, -0.0003043200000000, 0.0003982500000000 ] - [ -0.0018989700000000, 0.0003043200000000, 0.0003982500000000 ] - [ 0.0069902800000000, 0.0002098200000000, -0.0032501400000000 ] - [ 0.0069902800000000, -0.0002098200000000, -0.0032501400000000 ] - [ 0.0022778700000000, 0.0000000000000000, 0.0017968300000000 ] - [ 0.0020985200000000, 0.0000000000000000, 0.0019572300000000 ] - [ 0.0021667400000000, 0.0003448000000000, -0.0136687000000000 ] - [ 0.0021667400000000, -0.0003448000000000, -0.0136687000000000 ] - [ 0.0020716900000000, 0.0000000000000000, -0.0010001500000000 ] - [ 0.0019619000000000, 0.0000000000000000, -0.0004410100000000 ] - [ 0.0024737500000000, 0.0000110300000000, 0.0000688600000000 ] - [ 0.0024737500000000, -0.0000110300000000, 0.0000688600000000 ] - [ 0.0071627100000000, 0.0001117900000000, -0.0022153700000000 ] - [ 0.0071627100000000, -0.0001117900000000, -0.0022153700000000 ] - [ 0.0001528600000000, 0.0002344600000000, -0.0027890300000000 ] - [ 0.0001528600000000, -0.0002344600000000, -0.0027890300000000 ] - [ 0.0007751600000000, 0.0000000000000000, -0.0246005000000000 ] - [ -0.0003090200000000, 0.0000000000000000, -0.0118709000000000 ] - [ 0.0028530600000000, 0.0000000000000000, -0.0072361400000000 ] - [ -0.0039889400000000, 0.0000000000000000, -0.0028732400000000 ] - [ -0.0018109000000000, 0.0000000000000000, -0.0017004100000000 ] - [ -0.0006874900000000, 0.0000000000000000, -0.0003979100000000 ]- atom: 17 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0114252800000000, 0.0290780200000000, 0.0090364300000000 ] - [ 0.0114252800000000, -0.0290780200000000, 0.0090364300000000 ] - [ 0.0012636800000000, -0.0002865100000000, -0.0078535300000000 ] - [ 0.0012636800000000, 0.0002865100000000, -0.0078535300000000 ] - [ -0.0020764800000000, 0.0000000000000000, 0.0012508400000000 ] - [ -0.0019073600000000, 0.0000000000000000, 0.0010440800000000 ] - [ 0.0066130800000000, 0.0000000000000000, -0.0000787400000000 ] - [ 0.0048401900000000, 0.0000000000000000, -0.0005845200000000 ] - [ -0.0200593300000000, 0.0000000000000000, 0.0094416800000000 ] - [ -0.0091518200000000, 0.0000000000000000, 0.0032357900000000 ] - [ 0.0126719900000000, -0.0026809100000000, -0.0127137100000000 ] - [ 0.0126719900000000, 0.0026809100000000, -0.0127137100000000 ] - [ 0.0046401100000000, 0.0001428700000000, -0.0022753400000000 ] - [ 0.0046401100000000, -0.0001428700000000, -0.0022753400000000 ] - [ -0.0042295700000000, -0.0000596300000000, -0.0013742600000000 ] - [ -0.0042295700000000, 0.0000596300000000, -0.0013742600000000 ] - [ -0.1760457600000000, 0.0000000000000000, 0.3365723300000000 ] - [ -0.0120894500000000, 0.0000000000000000, 0.0135772000000000 ] - [ -0.0082344900000000, 0.0003756800000000, 0.0060975100000000 ] - [ -0.0082344900000000, -0.0003756800000000, 0.0060975100000000 ] - [ 0.0032117300000000, 0.0000000000000000, 0.0018227700000000 ] - [ 0.0027425800000000, 0.0000000000000000, 0.0012311200000000 ] - [ -0.0103762100000000, -0.0372585500000000, -0.0111785500000000 ] - [ -0.0103762100000000, 0.0372585500000000, -0.0111785500000000 ] - [ 0.0604643500000000, 0.0000000000000000, 0.0029870000000000 ] - [ 0.0014244900000000, 0.0000000000000000, 0.0032217100000000 ] - [ -0.0109569800000000, 0.0000000000000000, -0.0893913400000000 ] - [ -0.0093574200000000, 0.0000000000000000, -0.0039783100000000 ] - [ 0.0009622600000000, -0.0000388000000000, -0.0031987700000000 ] - [ 0.0009622600000000, 0.0000388000000000, -0.0031987700000000 ] - [ 0.0018797000000000, 0.0000000000000000, -0.0132201100000000 ] - [ -0.0001972800000000, 0.0000000000000000, -0.0075560800000000 ] - [ 0.0146963400000000, 0.0052781600000000, -0.0179631500000000 ] - [ 0.0146963400000000, -0.0052781600000000, -0.0179631500000000 ] - [ -0.0015038500000000, 0.0000000000000000, 0.0002173100000000 ] - [ -0.0009895000000000, 0.0000000000000000, 0.0015061400000000 ] - [ -0.0008567200000000, -0.0000112800000000, 0.0022913000000000 ] - [ -0.0008567200000000, 0.0000112800000000, 0.0022913000000000 ] - [ 0.0015264600000000, -0.0139749000000000, 0.0085730700000000 ] - [ 0.0015264600000000, 0.0139749000000000, 0.0085730700000000 ] - [ -0.0028992900000000, -0.0033370100000000, 0.0066720000000000 ] - [ -0.0028992900000000, 0.0033370100000000, 0.0066720000000000 ] - [ -0.0002577000000000, 0.0000000000000000, 0.0003460100000000 ] - [ -0.0002172300000000, 0.0000000000000000, 0.0003853000000000 ] - [ 0.0245199100000000, 0.0000000000000000, 0.0074966400000000 ] - [ 0.0077404200000000, 0.0000000000000000, -0.0000605000000000 ] - [ 0.0010473800000000, 0.0000000000000000, -0.0000218200000000 ] - [ 0.0005739000000000, 0.0000000000000000, -0.0000762700000000 ] - [ -0.0071501900000000, -0.0013924500000000, -0.0032951300000000 ] - [ -0.0071501900000000, 0.0013924500000000, -0.0032951300000000 ] - [ 0.0212600000000000, 0.0000000000000000, -0.2149812800000000 ] - [ 0.0007958400000000, 0.0000000000000000, -0.0114620900000000 ] - [ 0.0053340000000000, -0.0006505900000000, -0.0014537900000000 ] - [ 0.0053340000000000, 0.0006505900000000, -0.0014537900000000 ] - [ -0.0000602300000000, -0.0000424000000000, -0.0005925500000000 ] - [ -0.0000602300000000, 0.0000424000000000, -0.0005925500000000 ] - [ -0.0082698800000000, 0.0000000000000000, -0.0099019400000000 ] - [ 0.0039675500000000, 0.0000000000000000, -0.0022247600000000 ] - [ 0.0045786600000000, 0.0000000000000000, -0.0024570900000000 ] - [ 0.0045155900000000, 0.0000000000000000, -0.0022677600000000 ] - [ 0.0100593500000000, -0.0050945600000000, -0.0146373700000000 ] - [ 0.0100593500000000, 0.0050945600000000, -0.0146373700000000 ] - [ 0.0002726500000000, 0.0000000000000000, -0.0005977200000000 ] - [ 0.0003209500000000, 0.0000000000000000, -0.0002554500000000 ] - [ 0.0103684600000000, 0.0008258900000000, -0.0042604200000000 ] - [ 0.0103684600000000, -0.0008258900000000, -0.0042604200000000 ] - [ 0.1004676900000000, 0.0000000000000000, -0.0301708300000000 ] - [ 0.0079900200000000, 0.0000000000000000, -0.0020872300000000 ] - [ 0.0014877100000000, 0.0000000000000000, -0.0008274300000000 ] - [ 0.0012018800000000, 0.0000000000000000, -0.0004194300000000 ] - [ 0.0073920300000000, 0.0000000000000000, 0.0089655500000000 ] - [ 0.0014560700000000, 0.0000000000000000, -0.0108292300000000 ] - [ 0.0000251800000000, 0.0000593800000000, -0.0019355600000000 ] - [ 0.0000251800000000, -0.0000593800000000, -0.0019355600000000 ] - [ -0.0048798900000000, 0.0001391100000000, -0.0009130300000000 ] - [ -0.0048798900000000, -0.0001391100000000, -0.0009130300000000 ] - [ 0.0004285700000000, 0.0014539700000000, 0.0094010300000000 ] - [ 0.0004285700000000, -0.0014539700000000, 0.0094010300000000 ] - [ -0.0045179900000000, 0.0000000000000000, -0.0168720400000000 ] - [ -0.0000329200000000, 0.0000000000000000, -0.0050159500000000 ] - [ 0.0052102500000000, 0.0000000000000000, 0.0014814600000000 ] - [ 0.0052153500000000, 0.0000000000000000, 0.0015010800000000 ] - [ 0.0004096000000000, 0.0000000000000000, -0.0010922500000000 ] - [ 0.0004937800000000, 0.0000000000000000, -0.0004309500000000 ] - [ -0.0042075900000000, 0.0105235200000000, 0.0032285600000000 ] - [ -0.0042075900000000, -0.0105235200000000, 0.0032285600000000 ] - [ 0.0024783600000000, 0.0000215900000000, 0.0006944600000000 ] - [ 0.0024783600000000, -0.0000215900000000, 0.0006944600000000 ] - [ -0.0105778900000000, 0.0043270800000000, 0.0035181600000000 ] - [ -0.0105778900000000, -0.0043270800000000, 0.0035181600000000 ] - [ -0.0118851000000000, 0.0000000000000000, 0.0044204500000000 ] - [ -0.0054964000000000, 0.0000000000000000, 0.0016637700000000 ] - [ -0.0001906200000000, 0.0000082100000000, 0.0006807200000000 ] - [ -0.0001906200000000, -0.0000082100000000, 0.0006807200000000 ] - [ 0.0022506000000000, 0.0000000000000000, 0.0019252600000000 ] - [ 0.0023130500000000, 0.0000000000000000, 0.0017288000000000 ] - [ -0.0069210600000000, 0.0000000000000000, 0.0042925600000000 ] - [ -0.0033956000000000, 0.0000000000000000, 0.0013508700000000 ] - [ -0.0042106200000000, 0.0003062400000000, 0.0007400800000000 ] - [ -0.0042106200000000, -0.0003062400000000, 0.0007400800000000 ] - [ 0.0008760700000000, -0.0002116000000000, 0.0004551500000000 ] - [ 0.0008760700000000, 0.0002116000000000, 0.0004551500000000 ] - [ 0.0007676600000000, 0.0000000000000000, 0.0027262000000000 ] - [ 0.0009479100000000, 0.0000000000000000, 0.0025634900000000 ] - [ -0.0017678000000000, -0.0003422800000000, 0.0148145600000000 ] - [ -0.0017678000000000, 0.0003422800000000, 0.0148145600000000 ] - [ 0.0009001500000000, 0.0000000000000000, 0.0016500300000000 ] - [ 0.0010079200000000, 0.0000000000000000, 0.0010899700000000 ] - [ -0.0019636200000000, -0.0000114500000000, 0.0000896700000000 ] - [ -0.0019636200000000, 0.0000114500000000, 0.0000896700000000 ] - [ -0.0081593700000000, -0.0001089500000000, 0.0019550000000000 ] - [ -0.0081593700000000, 0.0001089500000000, 0.0019550000000000 ] - [ 0.0000284500000000, -0.0002395100000000, -0.0019013300000000 ] - [ 0.0000284500000000, 0.0002395100000000, -0.0019013300000000 ] - [ -0.0013629900000000, 0.0000000000000000, 0.0222275400000000 ] - [ -0.0002978400000000, 0.0000000000000000, 0.0094661100000000 ] - [ -0.0129361300000000, 0.0000000000000000, 0.0057587100000000 ] - [ -0.0061014300000000, 0.0000000000000000, 0.0014252800000000 ] - [ 0.0014180700000000, 0.0000000000000000, 0.0020996300000000 ] - [ 0.0002878200000000, 0.0000000000000000, 0.0007860200000000 ]- atom: 19 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0073290100000000, 0.0000000000000000, 0.0463472000000000 ] - [ -0.0093056900000000, 0.0000000000000000, -0.0029161800000000 ] - [ -0.0075522300000000, 0.0000000000000000, -0.0163797400000000 ] - [ -0.0080894900000000, 0.0000000000000000, -0.0090628500000000 ] - [ 0.0185460700000000, -0.0382050300000000, 0.0048141000000000 ] - [ 0.0185460700000000, 0.0382050300000000, 0.0048141000000000 ] - [ 0.0062977000000000, -0.0000459800000000, 0.0025817500000000 ] - [ 0.0062977000000000, 0.0000459800000000, 0.0025817500000000 ] - [ 0.0030760200000000, -0.0000157000000000, 0.0055721900000000 ] - [ 0.0030760200000000, 0.0000157000000000, 0.0055721900000000 ] - [ 0.0102660000000000, 0.0000000000000000, -0.0000428200000000 ] - [ 0.0052981600000000, 0.0000000000000000, 0.0001583400000000 ] - [ -0.0073610200000000, 0.0000000000000000, -0.0397412800000000 ] - [ -0.0046614300000000, 0.0000000000000000, -0.0099875600000000 ] - [ -0.0140588500000000, 0.0000000000000000, -0.0100858300000000 ] - [ -0.0091035400000000, 0.0000000000000000, 0.0027389900000000 ] - [ 0.0049436500000000, 0.0044841400000000, 0.0063136600000000 ] - [ 0.0049436500000000, -0.0044841400000000, 0.0063136600000000 ] - [ -0.3464796500000000, 0.0000000000000000, -0.0241540500000000 ] - [ -0.0231962600000000, 0.0000000000000000, 0.0005703000000000 ] - [ 0.0048547100000000, -0.0002487900000000, 0.0132298100000000 ] - [ 0.0048547100000000, 0.0002487900000000, 0.0132298100000000 ] - [ 0.0660822600000000, 0.0000000000000000, -0.0015539700000000 ] - [ -0.0027968000000000, 0.0000000000000000, -0.0015099700000000 ] - [ 0.0073136900000000, 0.0003371200000000, 0.0016661800000000 ] - [ 0.0073136900000000, -0.0003371200000000, 0.0016661800000000 ] - [ 0.0015383200000000, 0.0003177800000000, 0.0045710700000000 ] - [ 0.0015383200000000, -0.0003177800000000, 0.0045710700000000 ] - [ 0.0033257400000000, 0.0000000000000000, -0.0061903200000000 ] - [ 0.0013867700000000, 0.0000000000000000, -0.0049368100000000 ] - [ 0.0032662800000000, 0.0003577000000000, 0.0053593300000000 ] - [ 0.0032662800000000, -0.0003577000000000, 0.0053593300000000 ] - [ 0.0041215600000000, 0.0000000000000000, 0.0017969600000000 ] - [ 0.0028488400000000, 0.0000000000000000, 0.0001087500000000 ] - [ 0.0121533700000000, -0.0002156600000000, 0.0043111200000000 ] - [ 0.0121533700000000, 0.0002156600000000, 0.0043111200000000 ] - [ 0.0019978700000000, 0.0000000000000000, 0.0134726400000000 ] - [ 0.0007959900000000, 0.0000000000000000, 0.0076053700000000 ] - [ 0.0037255700000000, 0.0000000000000000, 0.0005982300000000 ] - [ 0.0041815600000000, 0.0000000000000000, 0.0006314400000000 ] - [ 0.0003871900000000, 0.0000000000000000, -0.0094322800000000 ] - [ 0.0016373600000000, 0.0000000000000000, -0.0007635200000000 ] - [ 0.0013802700000000, 0.0038297000000000, 0.0072004800000000 ] - [ 0.0013802700000000, -0.0038297000000000, 0.0072004800000000 ] - [ -0.0029186500000000, -0.0000095100000000, -0.0006322600000000 ] - [ -0.0029186500000000, 0.0000095100000000, -0.0006322600000000 ] - [ -0.0138941900000000, 0.0018282700000000, 0.0000209000000000 ] - [ -0.0138941900000000, -0.0018282700000000, 0.0000209000000000 ] - [ 0.0309836100000000, 0.0000000000000000, -0.0047749300000000 ] - [ 0.0097694000000000, 0.0000000000000000, 0.0058883200000000 ] - [ -0.0007548200000000, -0.0003054400000000, -0.0060252800000000 ] - [ -0.0007548200000000, 0.0003054400000000, -0.0060252800000000 ] - [ 0.0019394200000000, 0.0000000000000000, -0.0013936100000000 ] - [ 0.0019565100000000, 0.0000000000000000, -0.0013778100000000 ] - [ 0.0039154000000000, 0.0000000000000000, 0.0033449300000000 ] - [ 0.0061903000000000, 0.0000000000000000, 0.0034872900000000 ] - [ -0.0031788300000000, -0.0068587000000000, -0.0041888000000000 ] - [ -0.0031788300000000, 0.0068587000000000, -0.0041888000000000 ] - [ 0.0341681400000000, -0.0359494000000000, -0.0018655300000000 ] - [ 0.0341681400000000, 0.0359494000000000, -0.0018655300000000 ] - [ -0.0035208100000000, 0.0000000000000000, -0.0050820800000000 ] - [ 0.0025285000000000, 0.0000000000000000, 0.0015221400000000 ] - [ -0.0009776800000000, 0.0029397300000000, -0.0130072300000000 ] - [ -0.0009776800000000, -0.0029397300000000, -0.0130072300000000 ] - [ 0.1814548400000000, 0.0000000000000000, 0.0367704500000000 ] - [ 0.0169819700000000, 0.0000000000000000, 0.0024539000000000 ] - [ -0.0058466200000000, -0.0004103000000000, -0.0007999800000000 ] - [ -0.0058466200000000, 0.0004103000000000, -0.0007999800000000 ] - [ -0.0051172400000000, -0.0000023300000000, -0.0017889800000000 ] - [ -0.0051172400000000, 0.0000023300000000, -0.0017889800000000 ] - [ -0.0056865200000000, -0.0119149700000000, -0.0055592100000000 ] - [ -0.0056865200000000, 0.0119149700000000, -0.0055592100000000 ] - [ 0.0183639500000000, 0.0000000000000000, -0.0096499800000000 ] - [ 0.0028467700000000, 0.0000000000000000, -0.0096007300000000 ] - [ -0.0028758300000000, 0.0000000000000000, -0.0028179500000000 ] - [ -0.0032080900000000, 0.0000000000000000, -0.0028221200000000 ] - [ -0.0046514700000000, 0.0000000000000000, 0.0124642700000000 ] - [ 0.0002086900000000, 0.0000000000000000, 0.0055909700000000 ] - [ -0.0012374900000000, -0.0000114100000000, -0.0036315300000000 ] - [ -0.0012374900000000, 0.0000114100000000, -0.0036315300000000 ] - [ 0.0073405800000000, -0.0029068800000000, 0.0017040000000000 ] - [ 0.0073405800000000, 0.0029068800000000, 0.0017040000000000 ] - [ 0.0004915700000000, 0.0000351800000000, -0.0040276700000000 ] - [ 0.0004915700000000, -0.0000351800000000, -0.0040276700000000 ] - [ -0.0011430800000000, 0.0000000000000000, -0.0004650300000000 ] - [ -0.0008858900000000, 0.0000000000000000, -0.0000037100000000 ] - [ 0.0082111300000000, 0.0000000000000000, 0.0015353100000000 ] - [ 0.0077709000000000, 0.0000000000000000, 0.0005495700000000 ] - [ -0.0193466900000000, 0.0000000000000000, -0.0025736900000000 ] - [ -0.0067514600000000, 0.0000000000000000, 0.0004289700000000 ] - [ -0.0058128100000000, -0.0000338700000000, -0.0012043500000000 ] - [ -0.0058128100000000, 0.0000338700000000, -0.0012043500000000 ] - [ 0.0002630900000000, 0.0000000000000000, 0.0041593500000000 ] - [ 0.0000194900000000, 0.0000000000000000, 0.0016436500000000 ] - [ 0.0040210600000000, -0.0010172000000000, 0.0027311300000000 ] - [ 0.0040210600000000, 0.0010172000000000, 0.0027311300000000 ] - [ -0.0033560600000000, -0.0007301700000000, -0.0008710600000000 ] - [ -0.0033560600000000, 0.0007301700000000, -0.0008710600000000 ] - [ -0.0044865200000000, 0.0000000000000000, 0.0004109200000000 ] - [ -0.0043469300000000, 0.0000000000000000, 0.0003596200000000 ] - [ 0.0010632200000000, 0.0000000000000000, -0.0018604500000000 ] - [ 0.0018264400000000, 0.0000000000000000, -0.0017251800000000 ] - [ 0.0002505900000000, 0.0001168600000000, 0.0027038000000000 ] - [ 0.0002505900000000, -0.0001168600000000, 0.0027038000000000 ] - [ -0.0011049500000000, 0.0000000000000000, 0.0021259500000000 ] - [ -0.0004033400000000, 0.0000000000000000, 0.0013454600000000 ] - [ -0.0051788600000000, 0.0000022100000000, -0.0005196900000000 ] - [ -0.0051788600000000, -0.0000022100000000, -0.0005196900000000 ] - [ -0.0023314100000000, 0.0000000000000000, 0.0030760600000000 ] - [ -0.0009510200000000, 0.0000000000000000, 0.0010651500000000 ] - [ 0.0017151400000000, 0.0000000000000000, 0.0012152800000000 ] - [ 0.0017914800000000, 0.0000000000000000, 0.0006372000000000 ] - [ -0.0019713200000000, 0.0000000000000000, -0.0013069400000000 ] - [ -0.0018707400000000, 0.0000000000000000, -0.0013022100000000 ] - [ -0.0009856600000000, -0.0000621400000000, -0.0041039500000000 ] - [ -0.0009856600000000, 0.0000621400000000, -0.0041039500000000 ] - [ -0.0061079000000000, -0.0009088800000000, -0.0010900000000000 ] - [ -0.0061079000000000, 0.0009088800000000, -0.0010900000000000 ] - [ -0.0016244600000000, 0.0000086900000000, -0.0037586900000000 ] - [ -0.0016244600000000, -0.0000086900000000, -0.0037586900000000 ]- atom: 19 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0118889300000000, 0.0000000000000000, -0.0484294400000000 ] - [ 0.0136505900000000, 0.0000000000000000, 0.0005237500000000 ] - [ 0.0003469200000000, 0.0000000000000000, 0.0163287500000000 ] - [ 0.0010093400000000, 0.0000000000000000, 0.0089724100000000 ] - [ -0.0213585500000000, 0.0386179600000000, -0.0049504200000000 ] - [ -0.0213585500000000, -0.0386179600000000, -0.0049504200000000 ] - [ -0.0019092100000000, 0.0000463800000000, -0.0049251500000000 ] - [ -0.0019092100000000, -0.0000463800000000, -0.0049251500000000 ] - [ -0.0101006800000000, 0.0000176800000000, -0.0056963000000000 ] - [ -0.0101006800000000, -0.0000176800000000, -0.0056963000000000 ] - [ -0.0129664200000000, 0.0000000000000000, -0.0000160800000000 ] - [ -0.0080011800000000, 0.0000000000000000, -0.0002354400000000 ] - [ 0.0061223800000000, 0.0000000000000000, 0.0364401300000000 ] - [ 0.0036485600000000, 0.0000000000000000, 0.0063630500000000 ] - [ 0.0075549300000000, 0.0000000000000000, 0.0092509800000000 ] - [ 0.0025361600000000, 0.0000000000000000, -0.0042186400000000 ] - [ -0.0072820100000000, -0.0044605300000000, -0.0107281300000000 ] - [ -0.0072820100000000, 0.0044605300000000, -0.0107281300000000 ] - [ 0.3274002300000000, 0.0000000000000000, 0.0231178300000000 ] - [ 0.0154658800000000, 0.0000000000000000, 0.0031098600000000 ] - [ 0.0024331400000000, 0.0002183500000000, -0.0138873200000000 ] - [ 0.0024331400000000, -0.0002183500000000, -0.0138873200000000 ] - [ -0.0677156900000000, 0.0000000000000000, 0.0069931700000000 ] - [ 0.0009967600000000, 0.0000000000000000, 0.0068912200000000 ] - [ -0.0083542400000000, -0.0003382600000000, -0.0053332000000000 ] - [ -0.0083542400000000, 0.0003382600000000, -0.0053332000000000 ] - [ -0.0081127400000000, -0.0003157300000000, -0.0061609200000000 ] - [ -0.0081127400000000, 0.0003157300000000, -0.0061609200000000 ] - [ -0.0057457800000000, 0.0000000000000000, 0.0018745800000000 ] - [ -0.0037858000000000, 0.0000000000000000, 0.0006016200000000 ] - [ -0.0111005700000000, -0.0003609200000000, -0.0016299000000000 ] - [ -0.0111005700000000, 0.0003609200000000, -0.0016299000000000 ] - [ 0.0030588200000000, 0.0000000000000000, -0.0022923500000000 ] - [ 0.0043373000000000, 0.0000000000000000, -0.0006689300000000 ] - [ -0.0139933000000000, 0.0002187500000000, 0.0010871100000000 ] - [ -0.0139933000000000, -0.0002187500000000, 0.0010871100000000 ] - [ -0.0022025500000000, 0.0000000000000000, -0.0128469100000000 ] - [ -0.0010307900000000, 0.0000000000000000, -0.0068770000000000 ] - [ 0.0062275500000000, 0.0000000000000000, 0.0023040800000000 ] - [ 0.0057748700000000, 0.0000000000000000, 0.0022726700000000 ] - [ 0.0008505500000000, 0.0000000000000000, 0.0110431500000000 ] - [ -0.0003820400000000, 0.0000000000000000, 0.0024633900000000 ] - [ -0.0001368200000000, -0.0039088200000000, -0.0054353700000000 ] - [ -0.0001368200000000, 0.0039088200000000, -0.0054353700000000 ] - [ 0.0070575700000000, 0.0000093200000000, 0.0008904500000000 ] - [ 0.0070575700000000, -0.0000093200000000, 0.0008904500000000 ] - [ 0.0142078400000000, -0.0018350700000000, -0.0000526900000000 ] - [ 0.0142078400000000, 0.0018350700000000, -0.0000526900000000 ] - [ -0.0321287000000000, 0.0000000000000000, 0.0041918900000000 ] - [ -0.0111478300000000, 0.0000000000000000, -0.0057088300000000 ] - [ 0.0006116900000000, 0.0003040500000000, 0.0058823400000000 ] - [ 0.0006116900000000, -0.0003040500000000, 0.0058823400000000 ] - [ 0.0045627200000000, 0.0000000000000000, 0.0010953900000000 ] - [ 0.0045459600000000, 0.0000000000000000, 0.0010789600000000 ] - [ -0.0070843100000000, 0.0000000000000000, -0.0027645400000000 ] - [ -0.0069843400000000, 0.0000000000000000, -0.0032342400000000 ] - [ -0.0029623500000000, 0.0067939000000000, 0.0052862200000000 ] - [ -0.0029623500000000, -0.0067939000000000, 0.0052862200000000 ] - [ -0.0256895600000000, 0.0364579300000000, -0.0007968900000000 ] - [ -0.0256895600000000, -0.0364579300000000, -0.0007968900000000 ] - [ 0.0065215700000000, 0.0000000000000000, 0.0095932700000000 ] - [ 0.0005198100000000, 0.0000000000000000, 0.0030096800000000 ] - [ 0.0013753600000000, -0.0029795400000000, 0.0142444900000000 ] - [ 0.0013753600000000, 0.0029795400000000, 0.0142444900000000 ] - [ -0.1663305800000000, 0.0000000000000000, -0.0326108200000000 ] - [ -0.0139242700000000, 0.0000000000000000, -0.0017726300000000 ] - [ 0.0063374200000000, 0.0004092200000000, 0.0009564900000000 ] - [ 0.0063374200000000, -0.0004092200000000, 0.0009564900000000 ] - [ 0.0041134900000000, 0.0000027100000000, 0.0015355000000000 ] - [ 0.0041134900000000, -0.0000027100000000, 0.0015355000000000 ] - [ 0.0058515700000000, 0.0119472600000000, 0.0008875900000000 ] - [ 0.0058515700000000, -0.0119472600000000, 0.0008875900000000 ] - [ -0.0188339100000000, 0.0000000000000000, 0.0077959200000000 ] - [ -0.0034480600000000, 0.0000000000000000, 0.0070535100000000 ] - [ -0.0072711100000000, 0.0000000000000000, 0.0013529800000000 ] - [ -0.0068893300000000, 0.0000000000000000, 0.0013848900000000 ] - [ 0.0042090600000000, 0.0000000000000000, -0.0121565800000000 ] - [ -0.0006047000000000, 0.0000000000000000, -0.0052332800000000 ] - [ 0.0010006800000000, 0.0000111100000000, 0.0043914600000000 ] - [ 0.0010006800000000, -0.0000111100000000, 0.0043914600000000 ] - [ 0.0025563400000000, 0.0029842300000000, 0.0011639400000000 ] - [ 0.0025563400000000, -0.0029842300000000, 0.0011639400000000 ] - [ 0.0007500500000000, -0.0000309700000000, 0.0057114300000000 ] - [ 0.0007500500000000, 0.0000309700000000, 0.0057114300000000 ] - [ 0.0023854900000000, 0.0000000000000000, 0.0022867100000000 ] - [ 0.0021284500000000, 0.0000000000000000, 0.0018192600000000 ] - [ -0.0038808700000000, 0.0000000000000000, -0.0013899400000000 ] - [ -0.0035794100000000, 0.0000000000000000, -0.0003036100000000 ] - [ 0.0196471700000000, 0.0000000000000000, 0.0025525300000000 ] - [ 0.0070618400000000, 0.0000000000000000, -0.0004563900000000 ] - [ 0.0044589100000000, 0.0000339100000000, 0.0013065300000000 ] - [ 0.0044589100000000, -0.0000339100000000, 0.0013065300000000 ] - [ -0.0004008900000000, 0.0000000000000000, -0.0044154700000000 ] - [ -0.0001634600000000, 0.0000000000000000, -0.0018693900000000 ] - [ 0.0025005500000000, 0.0010687500000000, -0.0030397400000000 ] - [ 0.0025005500000000, -0.0010687500000000, -0.0030397400000000 ] - [ 0.0026151100000000, 0.0007453800000000, 0.0011390200000000 ] - [ 0.0026151100000000, -0.0007453800000000, 0.0011390200000000 ] - [ -0.0016282600000000, 0.0000000000000000, 0.0007224300000000 ] - [ -0.0017729800000000, 0.0000000000000000, 0.0007738600000000 ] - [ 0.0068397300000000, 0.0000000000000000, -0.0009260900000000 ] - [ 0.0060666800000000, 0.0000000000000000, -0.0010613300000000 ] - [ 0.0027954300000000, -0.0001181000000000, 0.0018055700000000 ] - [ 0.0027954300000000, 0.0001181000000000, 0.0018055700000000 ] - [ 0.0015237100000000, 0.0000000000000000, -0.0010446700000000 ] - [ 0.0008194800000000, 0.0000000000000000, -0.0002020900000000 ] - [ 0.0081694100000000, -0.0000025700000000, 0.0011699500000000 ] - [ 0.0081694100000000, 0.0000025700000000, 0.0011699500000000 ] - [ 0.0029036400000000, 0.0000000000000000, -0.0029366200000000 ] - [ 0.0014903000000000, 0.0000000000000000, -0.0009238800000000 ] - [ -0.0026365300000000, 0.0000000000000000, -0.0014825900000000 ] - [ -0.0027633200000000, 0.0000000000000000, -0.0009020200000000 ] - [ 0.0021588600000000, 0.0000000000000000, -0.0034020600000000 ] - [ 0.0020583700000000, 0.0000000000000000, -0.0034060300000000 ] - [ 0.0003832000000000, 0.0000617900000000, 0.0016722400000000 ] - [ 0.0003832000000000, -0.0000617900000000, 0.0016722400000000 ] - [ -0.0039494400000000, 0.0009016300000000, -0.0003655100000000 ] - [ -0.0039494400000000, -0.0009016300000000, -0.0003655100000000 ] - [ 0.0012269600000000, -0.0000091000000000, 0.0041342000000000 ] - [ 0.0012269600000000, 0.0000091000000000, 0.0041342000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022768100000000, -0.0074118100000000, -0.0013385800000000 ] - [ 0.0022506500000000, 0.0040497900000000, -0.0011622300000000 ] - [ -0.0035501500000000, -0.0003504000000000, 0.0000088300000000 ] - [ -0.0035260500000000, 0.0003153300000000, -0.0000158800000000 ] - [ -0.0434091300000000, 0.0016410400000000, 0.0024485800000000 ] - [ 0.0401425100000000, 0.0015057400000000, -0.0025739800000000 ] - [ 0.0021824700000000, 0.0000135300000000, -0.0015063400000000 ] - [ 0.0021850800000000, 0.0000120900000000, -0.0008594500000000 ] - [ -0.0044826800000000, 0.0000017300000000, -0.0007419400000000 ] - [ -0.0025730700000000, -0.0000006900000000, 0.0005858900000000 ] - [ -0.0013836600000000, -0.0000964300000000, -0.0000280700000000 ] - [ -0.0013787300000000, 0.0000929800000000, -0.0000349900000000 ] - [ -0.0005480200000000, -0.0089375100000000, -0.0017647700000000 ] - [ -0.0005334600000000, 0.0081118400000000, -0.0017602200000000 ] - [ -0.0032664700000000, -0.0030879600000000, -0.0004829500000000 ] - [ -0.0032804300000000, 0.0013956300000000, -0.0007721200000000 ] - [ -0.0000213600000000, 0.0000145300000000, -0.0020027800000000 ] - [ -0.0023534100000000, 0.0000256100000000, -0.0024879600000000 ] - [ -0.0015167400000000, -0.2734241600000000, 0.0013811900000000 ] - [ -0.0038922400000000, 0.1772786600000000, 0.0019258500000000 ] - [ 0.0032958100000000, 0.0000495100000000, -0.0066535200000000 ] - [ 0.0039842100000000, 0.0000638600000000, 0.0059536200000000 ] - [ -0.0011770800000000, -0.0025627700000000, 0.0027109700000000 ] - [ -0.0008832100000000, 0.0018338500000000, 0.0027155600000000 ] - [ -0.0004982300000000, 0.0000015800000000, -0.0020074600000000 ] - [ -0.0005839000000000, 0.0000048200000000, -0.0016779100000000 ] - [ -0.0034791900000000, 0.0000020600000000, -0.0007061700000000 ] - [ -0.0031141600000000, 0.0000023600000000, -0.0009141600000000 ] - [ -0.0012195200000000, -0.0004750200000000, -0.0021609500000000 ] - [ -0.0012066600000000, 0.0005336800000000, -0.0021561100000000 ] - [ -0.0042941000000000, -0.0000000100000000, 0.0017357800000000 ] - [ -0.0035754200000000, 0.0000054200000000, 0.0019798100000000 ] - [ 0.0035989400000000, -0.0000929800000000, -0.0002582900000000 ] - [ 0.0036000300000000, 0.0000851300000000, -0.0002741100000000 ] - [ -0.0046056100000000, -0.0000264500000000, 0.0027879400000000 ] - [ 0.0027067800000000, -0.0000280800000000, 0.0026018000000000 ] - [ -0.0001117600000000, 0.0002026700000000, 0.0003118800000000 ] - [ -0.0001197600000000, -0.0001460800000000, 0.0003361400000000 ] - [ 0.0049786600000000, 0.0001508000000000, 0.0014534500000000 ] - [ 0.0049789300000000, -0.0001532700000000, 0.0014539800000000 ] - [ 0.0006165400000000, 0.0002349800000000, 0.0008370000000000 ] - [ 0.0006221900000000, -0.0001566900000000, 0.0008450300000000 ] - [ 0.0028861100000000, -0.0005365500000000, -0.0035262600000000 ] - [ -0.0015977700000000, -0.0005339300000000, 0.0052685200000000 ] - [ 0.0022919700000000, -0.0000004400000000, 0.0001660700000000 ] - [ 0.0018661500000000, -0.0000002600000000, 0.0000970200000000 ] - [ 0.0100554800000000, 0.0001702700000000, -0.0015982300000000 ] - [ -0.0096305800000000, 0.0001842500000000, 0.0015628700000000 ] - [ -0.0007377200000000, 0.0082606300000000, -0.0002791700000000 ] - [ -0.0007244000000000, -0.0099072100000000, 0.0000470200000000 ] - [ -0.0001690900000000, -0.0000014500000000, -0.0003115800000000 ] - [ 0.0000320100000000, -0.0000019200000000, 0.0002049400000000 ] - [ 0.0032499400000000, 0.0005825100000000, -0.0001454200000000 ] - [ 0.0032497000000000, -0.0005846800000000, -0.0001454900000000 ] - [ -0.0000411500000000, 0.0214474200000000, 0.0000387500000000 ] - [ -0.0003637600000000, -0.0178175000000000, 0.0001177300000000 ] - [ -0.0042656000000000, -0.0000497400000000, -0.0004461200000000 ] - [ -0.0018868600000000, -0.0000916400000000, 0.0016170500000000 ] - [ -0.0211668400000000, 0.0488991000000000, 0.0057277300000000 ] - [ 0.0271716500000000, 0.0414294700000000, -0.0081589200000000 ] - [ 0.0015168400000000, 0.0006835500000000, 0.0022780500000000 ] - [ 0.0015144900000000, -0.0006308100000000, 0.0022690000000000 ] - [ 0.0045880000000000, -0.0002388900000000, 0.0075592700000000 ] - [ -0.0041111000000000, -0.0002394500000000, -0.0062765200000000 ] - [ 0.0012895400000000, 0.0183711200000000, 0.0002807200000000 ] - [ 0.0015054400000000, -0.0067102900000000, 0.0003364500000000 ] - [ -0.0001144100000000, -0.0000083600000000, 0.0001197700000000 ] - [ 0.0006365300000000, -0.0000092700000000, 0.0000471900000000 ] - [ 0.0009106700000000, -0.0000038600000000, 0.0006118800000000 ] - [ -0.0018867000000000, -0.0000041200000000, -0.0008570500000000 ] - [ -0.0001809100000000, 0.0000151700000000, -0.0023417700000000 ] - [ 0.0004373500000000, -0.0001076500000000, -0.0023146700000000 ] - [ -0.0004216400000000, 0.0095584900000000, -0.0007303900000000 ] - [ -0.0003113700000000, -0.0139624200000000, -0.0012952400000000 ] - [ -0.0050613000000000, 0.0021075700000000, -0.0007247100000000 ] - [ -0.0050507100000000, -0.0021973100000000, -0.0007170100000000 ] - [ -0.0001845200000000, 0.0004495200000000, 0.0001581400000000 ] - [ -0.0002028500000000, -0.0003903900000000, 0.0001623100000000 ] - [ -0.0000453700000000, 0.0000004900000000, 0.0005985700000000 ] - [ -0.0001881400000000, 0.0000006500000000, 0.0001778500000000 ] - [ 0.0043798200000000, 0.0005230000000000, 0.0015586700000000 ] - [ 0.0055130800000000, 0.0004281400000000, 0.0012942100000000 ] - [ 0.0005467000000000, -0.0000062700000000, 0.0019736800000000 ] - [ 0.0006973300000000, -0.0000083000000000, -0.0002700500000000 ] - [ 0.0006262100000000, 0.0001867700000000, 0.0009162900000000 ] - [ 0.0006256500000000, -0.0001835800000000, 0.0009132500000000 ] - [ 0.0020999100000000, 0.0005937300000000, 0.0001054400000000 ] - [ 0.0020784400000000, 0.0000473800000000, 0.0001249200000000 ] - [ 0.0001929500000000, 0.0000960600000000, -0.0000059900000000 ] - [ 0.0001786900000000, -0.0000824600000000, -0.0000176100000000 ] - [ -0.0005422000000000, -0.0000040800000000, 0.0000930200000000 ] - [ -0.0007850800000000, -0.0000042200000000, 0.0000152700000000 ] - [ -0.0000703900000000, -0.0001166900000000, -0.0001186800000000 ] - [ -0.0000694400000000, -0.0001366500000000, -0.0001260000000000 ] - [ 0.0031796600000000, 0.0000326900000000, -0.0001110800000000 ] - [ 0.0033156600000000, -0.0000117400000000, -0.0002130100000000 ] - [ -0.0003131200000000, 0.0000071500000000, 0.0001668700000000 ] - [ -0.0004089100000000, -0.0000065600000000, 0.0001051000000000 ] - [ -0.0030516100000000, 0.0003184600000000, 0.0005679900000000 ] - [ -0.0030546900000000, -0.0003394800000000, 0.0005674100000000 ] - [ 0.0039599700000000, 0.0001797000000000, -0.0013928800000000 ] - [ 0.0039547700000000, -0.0001823400000000, -0.0013931900000000 ] - [ 0.0016497000000000, -0.0000134300000000, 0.0020573500000000 ] - [ 0.0014018700000000, -0.0000053900000000, 0.0024524600000000 ] - [ 0.0002137600000000, 0.0000194800000000, 0.0005336300000000 ] - [ 0.0002109700000000, -0.0000131600000000, 0.0005610500000000 ] - [ 0.0021646000000000, 0.0000023200000000, 0.0001412900000000 ] - [ 0.0008587300000000, 0.0000026500000000, 0.0005116700000000 ] - [ 0.0002943500000000, 0.0006966900000000, 0.0000666400000000 ] - [ 0.0002785900000000, -0.0008040500000000, 0.0000703800000000 ] - [ -0.0004780900000000, 0.0000128300000000, -0.0001395800000000 ] - [ -0.0004907200000000, -0.0000151100000000, -0.0001353600000000 ] - [ 0.0000974300000000, 0.0017651800000000, -0.0023560200000000 ] - [ 0.0000976600000000, -0.0017873000000000, -0.0023581800000000 ] - [ -0.0002616100000000, -0.0000019000000000, -0.0011453100000000 ] - [ -0.0003350400000000, -0.0000018800000000, -0.0012703000000000 ] - [ -0.0049744100000000, 0.0000002200000000, -0.0007460800000000 ] - [ -0.0050821400000000, 0.0000030100000000, -0.0007081600000000 ] - [ 0.0000898200000000, -0.0000011600000000, 0.0011191000000000 ] - [ -0.0004833800000000, -0.0000006800000000, -0.0007189100000000 ]- atom: 19 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0507482100000000, 0.0000000000000000, 0.0062570700000000 ] - [ 0.0066406500000000, 0.0000000000000000, 0.0001301400000000 ] - [ -0.0243209300000000, 0.0000000000000000, 0.0113506900000000 ] - [ -0.0103551000000000, 0.0000000000000000, 0.0051366200000000 ] - [ -0.0110154200000000, 0.0184884300000000, -0.0155994100000000 ] - [ -0.0110154200000000, -0.0184884300000000, -0.0155994100000000 ] - [ 0.0028815200000000, -0.0001395700000000, 0.0019025700000000 ] - [ 0.0028815200000000, 0.0001395700000000, 0.0019025700000000 ] - [ -0.0011102600000000, -0.0000215700000000, -0.0007650500000000 ] - [ -0.0011102600000000, 0.0000215700000000, -0.0007650500000000 ] - [ -0.0049447700000000, 0.0000000000000000, 0.0014197500000000 ] - [ -0.0032263100000000, 0.0000000000000000, 0.0009484100000000 ] - [ -0.0505504700000000, 0.0000000000000000, 0.0271672100000000 ] - [ -0.0065229100000000, 0.0000000000000000, 0.0041944400000000 ] - [ 0.0037903400000000, 0.0000000000000000, 0.1020938300000000 ] - [ -0.0077171400000000, 0.0000000000000000, -0.0049484500000000 ] - [ 0.0040829300000000, -0.0001387300000000, -0.0059063600000000 ] - [ 0.0040829300000000, 0.0001387300000000, -0.0059063600000000 ] - [ 0.1447768300000000, 0.0000000000000000, -0.2677643400000000 ] - [ 0.0047143900000000, 0.0000000000000000, -0.0161534400000000 ] - [ 0.0142732500000000, -0.0042348400000000, -0.0050561100000000 ] - [ 0.0142732500000000, 0.0042348400000000, -0.0050561100000000 ] - [ -0.0230678300000000, 0.0000000000000000, -0.0035273300000000 ] - [ -0.0014295400000000, 0.0000000000000000, -0.0003712700000000 ] - [ 0.0010020600000000, -0.0000612700000000, -0.0018159600000000 ] - [ 0.0010020600000000, 0.0000612700000000, -0.0018159600000000 ] - [ -0.0020272600000000, 0.0002375700000000, 0.0003519400000000 ] - [ -0.0020272600000000, -0.0002375700000000, 0.0003519400000000 ] - [ -0.0099397100000000, 0.0000000000000000, 0.0112084600000000 ] - [ -0.0074856500000000, 0.0000000000000000, 0.0057392200000000 ] - [ -0.0045062800000000, -0.0000782500000000, 0.0028092700000000 ] - [ -0.0045062800000000, 0.0000782500000000, 0.0028092700000000 ] - [ 0.0022326600000000, 0.0000000000000000, 0.0111903600000000 ] - [ 0.0020682200000000, 0.0000000000000000, 0.0044665700000000 ] - [ -0.0058238100000000, -0.0001138500000000, 0.0027409300000000 ] - [ -0.0058238100000000, 0.0001138500000000, 0.0027409300000000 ] - [ 0.0033789600000000, 0.0000000000000000, -0.0155290600000000 ] - [ 0.0006384200000000, 0.0000000000000000, -0.0061138900000000 ] - [ 0.0045193800000000, 0.0000000000000000, 0.0008750700000000 ] - [ 0.0048079600000000, 0.0000000000000000, 0.0011483600000000 ] - [ -0.0014157400000000, 0.0000000000000000, -0.0111093800000000 ] - [ 0.0002726100000000, 0.0000000000000000, -0.0032204800000000 ] - [ 0.0051622700000000, -0.0088029400000000, 0.0003487400000000 ] - [ 0.0051622700000000, 0.0088029400000000, 0.0003487400000000 ] - [ 0.0009628200000000, -0.0000038600000000, 0.0001206900000000 ] - [ 0.0009628200000000, 0.0000038600000000, 0.0001206900000000 ] - [ 0.0063880400000000, -0.0008647300000000, 0.0005347200000000 ] - [ 0.0063880400000000, 0.0008647300000000, 0.0005347200000000 ] - [ -0.0134512500000000, 0.0000000000000000, 0.0023679300000000 ] - [ -0.0028588400000000, 0.0000000000000000, 0.0000278300000000 ] - [ -0.0007488200000000, -0.0000456200000000, -0.0000791100000000 ] - [ -0.0007488200000000, 0.0000456200000000, -0.0000791100000000 ] - [ 0.0027336000000000, 0.0000000000000000, -0.0000010700000000 ] - [ 0.0027386300000000, 0.0000000000000000, -0.0000047700000000 ] - [ -0.0122894700000000, 0.0000000000000000, 0.0154109100000000 ] - [ -0.0028906600000000, 0.0000000000000000, 0.0009373700000000 ] - [ -0.0087766300000000, -0.0044914000000000, 0.0022576600000000 ] - [ -0.0087766300000000, 0.0044914000000000, 0.0022576600000000 ] - [ -0.0115863900000000, 0.0205111700000000, 0.0086408500000000 ] - [ -0.0115863900000000, -0.0205111700000000, 0.0086408500000000 ] - [ -0.0012494200000000, 0.0000000000000000, 0.0069185800000000 ] - [ -0.0002877000000000, 0.0000000000000000, 0.0037011100000000 ] - [ -0.0018748100000000, 0.0002195000000000, 0.0143868100000000 ] - [ -0.0018748100000000, -0.0002195000000000, 0.0143868100000000 ] - [ -0.0496783900000000, 0.0000000000000000, 0.0124713400000000 ] - [ -0.0032508600000000, 0.0000000000000000, 0.0029896800000000 ] - [ -0.0022166600000000, 0.0000213800000000, 0.0007311000000000 ] - [ -0.0022166600000000, -0.0000213800000000, 0.0007311000000000 ] - [ -0.0042512400000000, 0.0001050100000000, 0.0005304600000000 ] - [ -0.0042512400000000, -0.0001050100000000, 0.0005304600000000 ] - [ 0.0016117000000000, 0.0037014600000000, 0.0004457000000000 ] - [ 0.0016117000000000, -0.0037014600000000, 0.0004457000000000 ] - [ -0.0240376200000000, 0.0000000000000000, 0.1385745500000000 ] - [ -0.0027102100000000, 0.0000000000000000, 0.0190461600000000 ] - [ -0.0142118800000000, 0.0000000000000000, -0.0030564800000000 ] - [ -0.0077751000000000, 0.0000000000000000, 0.0001902300000000 ] - [ 0.0041785900000000, 0.0000000000000000, 0.0016339400000000 ] - [ 0.0008822400000000, 0.0000000000000000, 0.0007869300000000 ] - [ -0.0003815300000000, 0.0000035500000000, 0.0001206600000000 ] - [ -0.0003815300000000, -0.0000035500000000, 0.0001206600000000 ] - [ -0.0016308700000000, 0.0193123700000000, -0.0045815200000000 ] - [ -0.0016308700000000, -0.0193123700000000, -0.0045815200000000 ] - [ -0.0003622200000000, 0.0003892900000000, -0.0017320500000000 ] - [ -0.0003622200000000, -0.0003892900000000, -0.0017320500000000 ] - [ 0.0004664700000000, 0.0000000000000000, 0.0010300900000000 ] - [ 0.0004226300000000, 0.0000000000000000, 0.0009711600000000 ] - [ 0.0241598600000000, 0.0000000000000000, -0.0095877900000000 ] - [ 0.0065164300000000, 0.0000000000000000, -0.0005115100000000 ] - [ 0.0066425800000000, 0.0000000000000000, 0.0009742100000000 ] - [ 0.0028279000000000, 0.0000000000000000, 0.0000691300000000 ] - [ -0.0016535900000000, 0.0000033100000000, -0.0004173300000000 ] - [ -0.0016535900000000, -0.0000033100000000, -0.0004173300000000 ] - [ -0.0016905700000000, 0.0000000000000000, -0.0231040100000000 ] - [ 0.0003716700000000, 0.0000000000000000, -0.0094703900000000 ] - [ 0.0059756400000000, 0.0016207800000000, -0.0021642800000000 ] - [ 0.0059756400000000, -0.0016207800000000, -0.0021642800000000 ] - [ -0.0000473300000000, 0.0001621800000000, 0.0001650700000000 ] - [ -0.0000473300000000, -0.0001621800000000, 0.0001650700000000 ] - [ -0.0025635900000000, 0.0000000000000000, -0.0002401000000000 ] - [ -0.0024823000000000, 0.0000000000000000, -0.0001230500000000 ] - [ 0.0043744400000000, 0.0000000000000000, -0.0015194300000000 ] - [ 0.0041804200000000, 0.0000000000000000, -0.0015359800000000 ] - [ 0.0019787600000000, 0.0004169800000000, 0.0012454800000000 ] - [ 0.0019787600000000, -0.0004169800000000, 0.0012454800000000 ] - [ 0.0004650100000000, 0.0000000000000000, -0.0029541700000000 ] - [ 0.0003771300000000, 0.0000000000000000, -0.0015199900000000 ] - [ 0.0024514300000000, 0.0000170400000000, -0.0003648100000000 ] - [ 0.0024514300000000, -0.0000170400000000, -0.0003648100000000 ] - [ 0.0170638800000000, 0.0000000000000000, -0.0005668200000000 ] - [ 0.0095093000000000, 0.0000000000000000, -0.0008590800000000 ] - [ 0.0056238500000000, 0.0000000000000000, -0.0019854500000000 ] - [ 0.0028623900000000, 0.0000000000000000, -0.0008357800000000 ] - [ 0.0007241700000000, 0.0000000000000000, -0.0042900600000000 ] - [ 0.0008534400000000, 0.0000000000000000, -0.0035921200000000 ] - [ -0.0003388600000000, -0.0000168600000000, -0.0020915800000000 ] - [ -0.0003388600000000, 0.0000168600000000, -0.0020915800000000 ] - [ -0.0054590600000000, -0.0008280200000000, -0.0017245400000000 ] - [ -0.0054590600000000, 0.0008280200000000, -0.0017245400000000 ] - [ -0.0000390300000000, 0.0000167900000000, 0.0014996700000000 ] - [ -0.0000390300000000, -0.0000167900000000, 0.0014996700000000 ]- atom: 19 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ -0.0457974500000000, 0.0000000000000000, -0.0086798100000000 ] - [ -0.0022361100000000, 0.0000000000000000, -0.0025272900000000 ] - [ 0.0171607400000000, 0.0000000000000000, -0.0114103400000000 ] - [ 0.0032945800000000, 0.0000000000000000, -0.0052104600000000 ] - [ 0.0083944700000000, -0.0183467700000000, 0.0153929000000000 ] - [ 0.0083944700000000, 0.0183467700000000, 0.0153929000000000 ] - [ 0.0015014600000000, 0.0001416600000000, -0.0042580600000000 ] - [ 0.0015014600000000, -0.0001416600000000, -0.0042580600000000 ] - [ -0.0059105800000000, 0.0000235900000000, 0.0006419200000000 ] - [ -0.0059105800000000, -0.0000235900000000, 0.0006419200000000 ] - [ 0.0022102700000000, 0.0000000000000000, -0.0014690900000000 ] - [ 0.0005155900000000, 0.0000000000000000, -0.0010186000000000 ] - [ 0.0488647300000000, 0.0000000000000000, -0.0304202600000000 ] - [ 0.0054823400000000, 0.0000000000000000, -0.0078249400000000 ] - [ -0.0105070400000000, 0.0000000000000000, -0.1036674500000000 ] - [ 0.0011077400000000, 0.0000000000000000, 0.0033900900000000 ] - [ -0.0064251500000000, 0.0001464400000000, 0.0014600100000000 ] - [ -0.0064251500000000, -0.0001464400000000, 0.0014600100000000 ] - [ -0.1527561000000000, 0.0000000000000000, 0.2822582500000000 ] - [ -0.0125089600000000, 0.0000000000000000, 0.0198490000000000 ] - [ -0.0070266100000000, 0.0042380400000000, 0.0044433500000000 ] - [ -0.0070266100000000, -0.0042380400000000, 0.0044433500000000 ] - [ 0.0210589200000000, 0.0000000000000000, 0.0090123400000000 ] - [ -0.0003795000000000, 0.0000000000000000, 0.0057852700000000 ] - [ -0.0020413300000000, 0.0000571400000000, -0.0018563000000000 ] - [ -0.0020413300000000, -0.0000571400000000, -0.0018563000000000 ] - [ -0.0045454200000000, -0.0002368300000000, -0.0019431300000000 ] - [ -0.0045454200000000, 0.0002368300000000, -0.0019431300000000 ] - [ 0.0074659000000000, 0.0000000000000000, -0.0155414900000000 ] - [ 0.0050598700000000, 0.0000000000000000, -0.0101022400000000 ] - [ -0.0033333000000000, 0.0000722600000000, 0.0009254500000000 ] - [ -0.0033333000000000, -0.0000722600000000, 0.0009254500000000 ] - [ 0.0049686000000000, 0.0000000000000000, -0.0116739900000000 ] - [ 0.0051304700000000, 0.0000000000000000, -0.0050083000000000 ] - [ 0.0040150800000000, 0.0001162400000000, 0.0026560500000000 ] - [ 0.0040150800000000, -0.0001162400000000, 0.0026560500000000 ] - [ -0.0035973300000000, 0.0000000000000000, 0.0161853100000000 ] - [ -0.0008695800000000, 0.0000000000000000, 0.0068382900000000 ] - [ 0.0054301500000000, 0.0000000000000000, 0.0020280300000000 ] - [ 0.0051430900000000, 0.0000000000000000, 0.0017566300000000 ] - [ 0.0026495400000000, 0.0000000000000000, 0.0127591900000000 ] - [ 0.0009747600000000, 0.0000000000000000, 0.0049114600000000 ] - [ -0.0038816000000000, 0.0086926500000000, 0.0014753300000000 ] - [ -0.0038816000000000, -0.0086926500000000, 0.0014753300000000 ] - [ 0.0031700500000000, 0.0000040900000000, 0.0001386500000000 ] - [ 0.0031700500000000, -0.0000040900000000, 0.0001386500000000 ] - [ -0.0061098700000000, 0.0008653800000000, -0.0005568200000000 ] - [ -0.0061098700000000, -0.0008653800000000, -0.0005568200000000 ] - [ 0.0117693300000000, 0.0000000000000000, -0.0004713500000000 ] - [ 0.0014518500000000, 0.0000000000000000, 0.0001281300000000 ] - [ 0.0006037600000000, 0.0000453700000000, -0.0000577900000000 ] - [ 0.0006037600000000, -0.0000453700000000, -0.0000577900000000 ] - [ 0.0037749300000000, 0.0000000000000000, -0.0002977400000000 ] - [ 0.0037706500000000, 0.0000000000000000, -0.0002949700000000 ] - [ 0.0107394100000000, 0.0000000000000000, -0.0152352000000000 ] - [ 0.0021214900000000, 0.0000000000000000, -0.0006356600000000 ] - [ 0.0026039800000000, 0.0044268200000000, -0.0010918500000000 ] - [ 0.0026039800000000, -0.0044268200000000, -0.0010918500000000 ] - [ 0.0197696600000000, -0.0208847500000000, -0.0118974900000000 ] - [ 0.0197696600000000, 0.0208847500000000, -0.0118974900000000 ] - [ 0.0042601400000000, 0.0000000000000000, -0.0023646200000000 ] - [ 0.0033238800000000, 0.0000000000000000, 0.0008347500000000 ] - [ 0.0022822800000000, -0.0002538400000000, -0.0132110500000000 ] - [ 0.0022822800000000, 0.0002538400000000, -0.0132110500000000 ] - [ 0.0532694700000000, 0.0000000000000000, -0.0116818700000000 ] - [ 0.0062696500000000, 0.0000000000000000, -0.0023261100000000 ] - [ 0.0027014500000000, -0.0000216600000000, -0.0005721500000000 ] - [ 0.0027014500000000, 0.0000216600000000, -0.0005721500000000 ] - [ 0.0032598100000000, -0.0001042900000000, -0.0007914000000000 ] - [ 0.0032598100000000, 0.0001042900000000, -0.0007914000000000 ] - [ -0.0014082500000000, -0.0036568700000000, -0.0051189600000000 ] - [ -0.0014082500000000, 0.0036568700000000, -0.0051189600000000 ] - [ 0.0235318900000000, 0.0000000000000000, -0.1528793900000000 ] - [ 0.0021406600000000, 0.0000000000000000, -0.0215787200000000 ] - [ 0.0041145200000000, 0.0000000000000000, 0.0016188100000000 ] - [ -0.0023149900000000, 0.0000000000000000, -0.0016355900000000 ] - [ -0.0046228400000000, 0.0000000000000000, -0.0013262800000000 ] - [ -0.0012800500000000, 0.0000000000000000, -0.0004440300000000 ] - [ 0.0001464900000000, -0.0000033900000000, 0.0006378900000000 ] - [ 0.0001464900000000, 0.0000033900000000, 0.0006378900000000 ] - [ 0.0115468300000000, -0.0192027600000000, 0.0075173100000000 ] - [ 0.0115468300000000, 0.0192027600000000, 0.0075173100000000 ] - [ 0.0016081400000000, -0.0003888400000000, 0.0034140100000000 ] - [ 0.0016081400000000, 0.0003888400000000, 0.0034140100000000 ] - [ 0.0007803900000000, 0.0000000000000000, 0.0007929700000000 ] - [ 0.0008225000000000, 0.0000000000000000, 0.0008452600000000 ] - [ -0.0197392200000000, 0.0000000000000000, 0.0098442600000000 ] - [ -0.0023245900000000, 0.0000000000000000, 0.0007628300000000 ] - [ -0.0062725600000000, 0.0000000000000000, -0.0009803700000000 ] - [ -0.0025186400000000, 0.0000000000000000, -0.0001007800000000 ] - [ 0.0003056800000000, -0.0000034100000000, 0.0005224900000000 ] - [ 0.0003056800000000, 0.0000034100000000, 0.0005224900000000 ] - [ 0.0015486500000000, 0.0000000000000000, 0.0228318300000000 ] - [ -0.0005138500000000, 0.0000000000000000, 0.0092611900000000 ] - [ 0.0005449300000000, -0.0015618300000000, 0.0018497300000000 ] - [ 0.0005449300000000, 0.0015618300000000, 0.0018497300000000 ] - [ -0.0006888700000000, -0.0001444600000000, 0.0001023200000000 ] - [ -0.0006888700000000, 0.0001444600000000, 0.0001023200000000 ] - [ -0.0035435300000000, 0.0000000000000000, 0.0013805800000000 ] - [ -0.0036344400000000, 0.0000000000000000, 0.0012624600000000 ] - [ 0.0035315200000000, 0.0000000000000000, -0.0012667300000000 ] - [ 0.0037134800000000, 0.0000000000000000, -0.0012507400000000 ] - [ 0.0010681800000000, -0.0004203400000000, 0.0032741200000000 ] - [ 0.0010681800000000, 0.0004203400000000, 0.0032741200000000 ] - [ -0.0000476800000000, 0.0000000000000000, 0.0040194800000000 ] - [ 0.0000361400000000, 0.0000000000000000, 0.0026502600000000 ] - [ 0.0005333200000000, -0.0000172700000000, 0.0010229400000000 ] - [ 0.0005333200000000, 0.0000172700000000, 0.0010229400000000 ] - [ -0.0163967100000000, 0.0000000000000000, 0.0007178900000000 ] - [ -0.0089350800000000, 0.0000000000000000, 0.0010040900000000 ] - [ -0.0065603400000000, 0.0000000000000000, 0.0017142400000000 ] - [ -0.0038382400000000, 0.0000000000000000, 0.0005665300000000 ] - [ -0.0005390800000000, 0.0000000000000000, -0.0004107800000000 ] - [ -0.0006691200000000, 0.0000000000000000, -0.0011090800000000 ] - [ -0.0002654000000000, 0.0000169300000000, -0.0003440000000000 ] - [ -0.0002654000000000, -0.0000169300000000, -0.0003440000000000 ] - [ -0.0046045500000000, 0.0008234100000000, 0.0002672200000000 ] - [ -0.0046045500000000, -0.0008234100000000, 0.0002672200000000 ] - [ -0.0003570300000000, -0.0000162400000000, -0.0011253000000000 ] - [ -0.0003570300000000, 0.0000162400000000, -0.0011253000000000 ]- atom: 21 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0063857700000000, 0.0002164400000000, 0.0024487300000000 ] - [ 0.0063857700000000, -0.0002164400000000, 0.0024487300000000 ] - [ 0.0080228300000000, -0.0003666200000000, 0.0020328300000000 ] - [ 0.0080228300000000, 0.0003666200000000, 0.0020328300000000 ] - [ -0.0128089600000000, 0.0000000000000000, 0.0043360900000000 ] - [ -0.0089924500000000, 0.0000000000000000, 0.0027514000000000 ] - [ -0.0063777400000000, 0.0000000000000000, -0.0005239400000000 ] - [ -0.0029845500000000, 0.0000000000000000, -0.0089137000000000 ] - [ 0.0858279400000000, 0.0000000000000000, 0.0049886700000000 ] - [ -0.0069981000000000, 0.0000000000000000, -0.0018297700000000 ] - [ 0.0023631000000000, 0.0005845400000000, 0.0028402400000000 ] - [ 0.0023631000000000, -0.0005845400000000, 0.0028402400000000 ] - [ 0.0005223600000000, 0.0000916300000000, -0.0031129800000000 ] - [ 0.0005223600000000, -0.0000916300000000, -0.0031129800000000 ] - [ 0.0185857700000000, -0.0447453800000000, -0.0010645900000000 ] - [ 0.0185857700000000, 0.0447453800000000, -0.0010645900000000 ] - [ 0.0059597500000000, 0.0000000000000000, 0.0023737600000000 ] - [ 0.0041377800000000, 0.0000000000000000, 0.0018713900000000 ] - [ -0.0027129000000000, -0.0003469400000000, 0.0149407900000000 ] - [ -0.0027129000000000, 0.0003469400000000, 0.0149407900000000 ] - [ -0.4406250700000000, 0.0000000000000000, 0.0086174500000000 ] - [ -0.0224870200000000, 0.0000000000000000, -0.0030260300000000 ] - [ 0.0057235600000000, 0.0001290300000000, 0.0070401000000000 ] - [ 0.0057235600000000, -0.0001290300000000, 0.0070401000000000 ] - [ 0.0030776500000000, 0.0000000000000000, 0.0145596900000000 ] - [ -0.0001438100000000, 0.0000000000000000, 0.0044194500000000 ] - [ 0.0097870200000000, 0.0000000000000000, -0.0003179600000000 ] - [ 0.0051391000000000, 0.0000000000000000, -0.0002556100000000 ] - [ -0.0050959400000000, 0.0002127600000000, -0.0173285900000000 ] - [ -0.0050959400000000, -0.0002127600000000, -0.0173285900000000 ] - [ -0.0033732200000000, 0.0000000000000000, 0.0006046900000000 ] - [ -0.0046518900000000, 0.0000000000000000, -0.0003336300000000 ] - [ 0.0109728200000000, 0.0004413800000000, 0.0022193900000000 ] - [ 0.0109728200000000, -0.0004413800000000, 0.0022193900000000 ] - [ -0.0079164500000000, 0.0000000000000000, -0.0172326900000000 ] - [ -0.0064056500000000, 0.0000000000000000, -0.0064334100000000 ] - [ -0.0008764800000000, 0.0000225200000000, 0.0014173700000000 ] - [ -0.0008764800000000, -0.0000225200000000, 0.0014173700000000 ] - [ 0.0021386100000000, -0.0006692600000000, 0.0009992500000000 ] - [ 0.0021386100000000, 0.0006692600000000, 0.0009992500000000 ] - [ -0.0002033100000000, -0.0000541100000000, -0.0013954300000000 ] - [ -0.0002033100000000, 0.0000541100000000, -0.0013954300000000 ] - [ 0.0010179400000000, 0.0000000000000000, 0.0009927300000000 ] - [ 0.0007658700000000, 0.0000000000000000, 0.0009880100000000 ] - [ -0.0172414300000000, 0.0000000000000000, 0.0000568100000000 ] - [ -0.0061021600000000, 0.0000000000000000, 0.0005641800000000 ] - [ 0.0126240800000000, 0.0000000000000000, 0.0013529900000000 ] - [ 0.0085551500000000, 0.0000000000000000, 0.0008317100000000 ] - [ -0.0032713800000000, 0.0000107400000000, -0.0024424400000000 ] - [ -0.0032713800000000, -0.0000107400000000, -0.0024424400000000 ] - [ -0.0012167900000000, 0.0000000000000000, -0.0043648100000000 ] - [ -0.0009667000000000, 0.0000000000000000, -0.0035877200000000 ] - [ -0.0038044300000000, -0.0167172500000000, -0.0003064400000000 ] - [ -0.0038044300000000, 0.0167172500000000, -0.0003064400000000 ] - [ 0.0014249500000000, -0.0006077200000000, 0.0000937500000000 ] - [ 0.0014249500000000, 0.0006077200000000, 0.0000937500000000 ] - [ -0.0058172900000000, 0.0000000000000000, -0.0002125200000000 ] - [ -0.0053313100000000, 0.0000000000000000, -0.0001755200000000 ] - [ 0.0059134600000000, 0.0000000000000000, -0.0030389300000000 ] - [ 0.0056302000000000, 0.0000000000000000, -0.0027495800000000 ] - [ -0.0002722900000000, -0.0003725900000000, 0.0008579200000000 ] - [ -0.0002722900000000, 0.0003725900000000, 0.0008579200000000 ] - [ 0.0158736400000000, 0.0000000000000000, 0.0103132800000000 ] - [ 0.0029616600000000, 0.0000000000000000, -0.0057009900000000 ] - [ -0.0033205000000000, -0.0000388200000000, -0.0017098300000000 ] - [ -0.0033205000000000, 0.0000388200000000, -0.0017098300000000 ] - [ -0.0065176200000000, 0.0000000000000000, -0.0005219700000000 ] - [ -0.0038139900000000, 0.0000000000000000, -0.0003277000000000 ] - [ 0.2675340900000000, 0.0000000000000000, -0.0227432300000000 ] - [ 0.0212318700000000, 0.0000000000000000, 0.0001341200000000 ] - [ -0.0012192800000000, 0.0000000000000000, -0.0042717000000000 ] - [ -0.0011125500000000, 0.0000000000000000, -0.0039870000000000 ] - [ -0.0010572100000000, 0.0026966000000000, -0.0154679400000000 ] - [ -0.0010572100000000, -0.0026966000000000, -0.0154679400000000 ] - [ 0.0310487100000000, -0.0301275700000000, 0.0001214700000000 ] - [ 0.0310487100000000, 0.0301275700000000, 0.0001214700000000 ] - [ -0.0016833900000000, 0.0000275700000000, -0.0036409400000000 ] - [ -0.0016833900000000, -0.0000275700000000, -0.0036409400000000 ] - [ -0.0061575800000000, 0.0000000000000000, -0.0177290200000000 ] - [ -0.0002112500000000, 0.0000000000000000, -0.0053780800000000 ] - [ -0.0039127600000000, 0.0000000000000000, 0.0001880800000000 ] - [ 0.0132029100000000, 0.0000000000000000, 0.0020005600000000 ] - [ 0.0173464000000000, 0.0000000000000000, -0.0051516600000000 ] - [ 0.0034855100000000, 0.0000000000000000, 0.0114349200000000 ] - [ 0.0000134300000000, -0.0020493800000000, -0.0012026800000000 ] - [ 0.0000134300000000, 0.0020493800000000, -0.0012026800000000 ] - [ -0.0089019900000000, 0.0016632600000000, 0.0006515300000000 ] - [ -0.0089019900000000, -0.0016632600000000, 0.0006515300000000 ] - [ -0.0049434500000000, -0.0000734000000000, -0.0007179400000000 ] - [ -0.0049434500000000, 0.0000734000000000, -0.0007179400000000 ] - [ 0.0041176600000000, 0.0000000000000000, -0.0014117000000000 ] - [ 0.0040599800000000, 0.0000000000000000, 0.0007627300000000 ] - [ -0.0002120900000000, 0.0026357500000000, 0.0151346200000000 ] - [ -0.0002120900000000, -0.0026357500000000, 0.0151346200000000 ] - [ 0.0005081100000000, 0.0000000000000000, -0.0006025700000000 ] - [ 0.0006540700000000, 0.0000000000000000, -0.0005793000000000 ] - [ -0.0013602900000000, 0.0000000000000000, -0.0021799800000000 ] - [ -0.0008474800000000, 0.0000000000000000, -0.0011420900000000 ] - [ 0.0006363000000000, -0.0030862600000000, 0.0014652100000000 ] - [ 0.0006363000000000, 0.0030862600000000, 0.0014652100000000 ] - [ 0.0033366700000000, -0.0008034700000000, -0.0014890200000000 ] - [ 0.0033366700000000, 0.0008034700000000, -0.0014890200000000 ] - [ 0.0041050400000000, 0.0000000000000000, 0.0059785000000000 ] - [ 0.0035961800000000, 0.0000000000000000, 0.0050936400000000 ] - [ -0.0006000000000000, -0.0000963000000000, -0.0016342200000000 ] - [ -0.0006000000000000, 0.0000963000000000, -0.0016342200000000 ] - [ 0.0021134100000000, 0.0000000000000000, 0.0015992900000000 ] - [ 0.0030258300000000, 0.0000000000000000, 0.0019456300000000 ] - [ -0.0000417500000000, -0.0000841300000000, 0.0011615400000000 ] - [ -0.0000417500000000, 0.0000841300000000, 0.0011615400000000 ] - [ -0.0074446700000000, -0.0000166400000000, -0.0005750400000000 ] - [ -0.0074446700000000, 0.0000166400000000, -0.0005750400000000 ] - [ 0.0011781100000000, -0.0018375700000000, 0.0019328200000000 ] - [ 0.0011781100000000, 0.0018375700000000, 0.0019328200000000 ] - [ -0.0012296100000000, 0.0000000000000000, 0.0018381800000000 ] - [ -0.0007840200000000, 0.0000000000000000, 0.0010407700000000 ] - [ -0.0087138000000000, 0.0000000000000000, -0.0012239900000000 ] - [ -0.0076489800000000, 0.0000000000000000, -0.0011557000000000 ] - [ -0.0045804700000000, 0.0000000000000000, 0.0208162700000000 ] - [ 0.0004755000000000, 0.0000000000000000, 0.0081086300000000 ]- atom: 21 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ -0.0019849100000000, -0.0002136800000000, -0.0047953900000000 ] - [ -0.0019849100000000, 0.0002136800000000, -0.0047953900000000 ] - [ -0.0149896900000000, 0.0003565000000000, -0.0021418600000000 ] - [ -0.0149896900000000, -0.0003565000000000, -0.0021418600000000 ] - [ 0.0101026500000000, 0.0000000000000000, -0.0044840700000000 ] - [ 0.0062951200000000, 0.0000000000000000, -0.0028891300000000 ] - [ 0.0107411700000000, 0.0000000000000000, -0.0016132200000000 ] - [ 0.0073625900000000, 0.0000000000000000, 0.0065928100000000 ] - [ -0.0931365300000000, 0.0000000000000000, -0.0051031000000000 ] - [ -0.0000176600000000, 0.0000000000000000, 0.0017137400000000 ] - [ -0.0050269400000000, -0.0005812800000000, -0.0028981100000000 ] - [ -0.0050269400000000, 0.0005812800000000, -0.0028981100000000 ] - [ -0.0015711200000000, -0.0000873200000000, -0.0005742500000000 ] - [ -0.0015711200000000, 0.0000873200000000, -0.0005742500000000 ] - [ -0.0250332200000000, 0.0441831700000000, -0.0005206900000000 ] - [ -0.0250332200000000, -0.0441831700000000, -0.0005206900000000 ] - [ -0.0083026900000000, 0.0000000000000000, -0.0067603200000000 ] - [ -0.0064808100000000, 0.0000000000000000, -0.0062594600000000 ] - [ -0.0051325100000000, 0.0003393100000000, -0.0110988700000000 ] - [ -0.0051325100000000, -0.0003393100000000, -0.0110988700000000 ] - [ 0.4680860000000000, 0.0000000000000000, -0.0108897700000000 ] - [ 0.0297829600000000, 0.0000000000000000, 0.0024199700000000 ] - [ -0.0074745100000000, -0.0001276400000000, -0.0016288200000000 ] - [ -0.0074745100000000, 0.0001276400000000, -0.0016288200000000 ] - [ -0.0040951600000000, 0.0000000000000000, -0.0182608100000000 ] - [ -0.0008821300000000, 0.0000000000000000, -0.0080732200000000 ] - [ -0.0163088600000000, 0.0000000000000000, -0.0012695500000000 ] - [ -0.0116903200000000, 0.0000000000000000, -0.0013270900000000 ] - [ 0.0026667800000000, -0.0002137200000000, 0.0128099900000000 ] - [ 0.0026667800000000, 0.0002137200000000, 0.0128099900000000 ] - [ -0.0044380000000000, 0.0000000000000000, 0.0031473400000000 ] - [ -0.0031621500000000, 0.0000000000000000, 0.0040731400000000 ] - [ -0.0037333800000000, -0.0004405300000000, -0.0027722000000000 ] - [ -0.0037333800000000, 0.0004405300000000, -0.0027722000000000 ] - [ 0.0060789700000000, 0.0000000000000000, 0.0226832200000000 ] - [ 0.0046097600000000, 0.0000000000000000, 0.0118180700000000 ] - [ 0.0006316100000000, -0.0000222300000000, -0.0006389100000000 ] - [ 0.0006316100000000, 0.0000222300000000, -0.0006389100000000 ] - [ 0.0078030800000000, 0.0006664400000000, 0.0019030200000000 ] - [ 0.0078030800000000, -0.0006664400000000, 0.0019030200000000 ] - [ 0.0014530300000000, 0.0000537000000000, 0.0030603100000000 ] - [ 0.0014530300000000, -0.0000537000000000, 0.0030603100000000 ] - [ 0.0002236600000000, 0.0000000000000000, 0.0008533200000000 ] - [ 0.0004780700000000, 0.0000000000000000, 0.0008449700000000 ] - [ 0.0213177700000000, 0.0000000000000000, 0.0001956500000000 ] - [ 0.0102216600000000, 0.0000000000000000, -0.0003057200000000 ] - [ -0.0123721700000000, 0.0000000000000000, -0.0014028900000000 ] - [ -0.0083001600000000, 0.0000000000000000, -0.0008582400000000 ] - [ 0.0019252700000000, -0.0000100300000000, 0.0025316300000000 ] - [ 0.0019252700000000, 0.0000100300000000, 0.0025316300000000 ] - [ 0.0010796000000000, 0.0000000000000000, 0.0042036000000000 ] - [ 0.0008268500000000, 0.0000000000000000, 0.0034323900000000 ] - [ 0.0103571300000000, 0.0166656800000000, 0.0000116800000000 ] - [ 0.0103571300000000, -0.0166656800000000, 0.0000116800000000 ] - [ -0.0021410800000000, 0.0006055000000000, 0.0001842700000000 ] - [ -0.0021410800000000, -0.0006055000000000, 0.0001842700000000 ] - [ -0.0003134700000000, 0.0000000000000000, 0.0013467200000000 ] - [ -0.0007961900000000, 0.0000000000000000, 0.0013092400000000 ] - [ 0.0020056900000000, 0.0000000000000000, 0.0002342000000000 ] - [ 0.0022953300000000, 0.0000000000000000, -0.0000504500000000 ] - [ 0.0033070400000000, 0.0003700500000000, 0.0036559500000000 ] - [ 0.0033070400000000, -0.0003700500000000, 0.0036559500000000 ] - [ -0.0159517000000000, 0.0000000000000000, -0.0098658300000000 ] - [ -0.0025413100000000, 0.0000000000000000, 0.0069448600000000 ] - [ 0.0062722500000000, 0.0000387700000000, 0.0023532900000000 ] - [ 0.0062722500000000, -0.0000387700000000, 0.0023532900000000 ] - [ 0.0069862000000000, 0.0000000000000000, 0.0006845500000000 ] - [ 0.0042895100000000, 0.0000000000000000, 0.0004827700000000 ] - [ -0.2889563100000000, 0.0000000000000000, 0.0239741100000000 ] - [ -0.0223312600000000, 0.0000000000000000, -0.0003807200000000 ] - [ 0.0013916200000000, 0.0000000000000000, -0.0004316600000000 ] - [ 0.0012854800000000, 0.0000000000000000, -0.0007133900000000 ] - [ 0.0004608300000000, -0.0026497200000000, 0.0129019000000000 ] - [ 0.0004608300000000, 0.0026497200000000, 0.0129019000000000 ] - [ -0.0414273800000000, 0.0293315200000000, -0.0015310200000000 ] - [ -0.0414273800000000, -0.0293315200000000, -0.0015310200000000 ] - [ 0.0012739800000000, -0.0000266500000000, 0.0039885500000000 ] - [ 0.0012739800000000, 0.0000266500000000, 0.0039885500000000 ] - [ 0.0059667600000000, 0.0000000000000000, 0.0185020800000000 ] - [ -0.0000322500000000, 0.0000000000000000, 0.0061189300000000 ] - [ 0.0154100900000000, 0.0000000000000000, 0.0026970300000000 ] - [ -0.0031445900000000, 0.0000000000000000, 0.0009082700000000 ] - [ -0.0165083100000000, 0.0000000000000000, 0.0074758100000000 ] - [ -0.0022324400000000, 0.0000000000000000, -0.0098344000000000 ] - [ 0.0012209300000000, 0.0020447200000000, 0.0030160900000000 ] - [ 0.0012209300000000, -0.0020447200000000, 0.0030160900000000 ] - [ 0.0130233700000000, -0.0016679400000000, -0.0003944700000000 ] - [ 0.0130233700000000, 0.0016679400000000, -0.0003944700000000 ] - [ 0.0051860000000000, 0.0000729300000000, 0.0006860000000000 ] - [ 0.0051860000000000, -0.0000729300000000, 0.0006860000000000 ] - [ -0.0055267600000000, 0.0000000000000000, 0.0015032900000000 ] - [ -0.0054267800000000, 0.0000000000000000, -0.0006665600000000 ] - [ 0.0000900600000000, -0.0025861600000000, -0.0151251200000000 ] - [ 0.0000900600000000, 0.0025861600000000, -0.0151251200000000 ] - [ 0.0059648800000000, 0.0000000000000000, 0.0003035800000000 ] - [ 0.0058197000000000, 0.0000000000000000, 0.0002792900000000 ] - [ 0.0006044000000000, 0.0000000000000000, 0.0024372100000000 ] - [ 0.0000962500000000, 0.0000000000000000, 0.0014027600000000 ] - [ -0.0067043100000000, 0.0030531000000000, -0.0003370800000000 ] - [ -0.0067043100000000, -0.0030531000000000, -0.0003370800000000 ] - [ 0.0045526000000000, 0.0007981700000000, -0.0013033600000000 ] - [ 0.0045526000000000, -0.0007981700000000, -0.0013033600000000 ] - [ -0.0010247600000000, 0.0000000000000000, -0.0014452500000000 ] - [ -0.0005298500000000, 0.0000000000000000, -0.0005628400000000 ] - [ 0.0010127400000000, 0.0000957800000000, 0.0027483600000000 ] - [ 0.0010127400000000, -0.0000957800000000, 0.0027483600000000 ] - [ 0.0008638800000000, 0.0000000000000000, -0.0009665600000000 ] - [ -0.0000479600000000, 0.0000000000000000, -0.0012996600000000 ] - [ 0.0005420900000000, 0.0000844200000000, -0.0009996100000000 ] - [ 0.0005420900000000, -0.0000844200000000, -0.0009996100000000 ] - [ 0.0064206800000000, 0.0000176600000000, 0.0003100100000000 ] - [ 0.0064206800000000, -0.0000176600000000, 0.0003100100000000 ] - [ -0.0009914400000000, 0.0018413100000000, -0.0066187700000000 ] - [ -0.0009914400000000, -0.0018413100000000, -0.0066187700000000 ] - [ 0.0006261900000000, 0.0000000000000000, -0.0042608200000000 ] - [ 0.0001812200000000, 0.0000000000000000, -0.0034724600000000 ] - [ -0.0013629600000000, 0.0000000000000000, -0.0002299500000000 ] - [ -0.0024227700000000, 0.0000000000000000, -0.0002985200000000 ] - [ 0.0042415700000000, 0.0000000000000000, -0.0204475300000000 ] - [ -0.0008773100000000, 0.0000000000000000, -0.0077247700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019141500000000, 0.0000028100000000, -0.0015777300000000 ] - [ 0.0025037900000000, -0.0000001500000000, -0.0007615300000000 ] - [ -0.0074814600000000, -0.0000410200000000, -0.0003938500000000 ] - [ 0.0005749100000000, -0.0000372700000000, 0.0002992200000000 ] - [ -0.0013633400000000, -0.0027251000000000, -0.0001486000000000 ] - [ -0.0013742600000000, 0.0017641500000000, 0.0000043400000000 ] - [ 0.0021704400000000, -0.0031032400000000, -0.0009886100000000 ] - [ 0.0021837700000000, 0.0011944300000000, -0.0012422800000000 ] - [ -0.0031685500000000, -0.0043020000000000, -0.0000351100000000 ] - [ -0.0035520500000000, 0.0016252300000000, -0.0000642500000000 ] - [ -0.0014772800000000, 0.0000022500000000, -0.0000482100000000 ] - [ -0.0011726300000000, -0.0000020600000000, 0.0000074700000000 ] - [ -0.0014112500000000, -0.0000252600000000, -0.0016847900000000 ] - [ 0.0003707100000000, -0.0000171900000000, -0.0020091200000000 ] - [ -0.0497625100000000, 0.0010816200000000, 0.0009987600000000 ] - [ 0.0437941900000000, 0.0012473400000000, -0.0026214300000000 ] - [ -0.0011536200000000, -0.0001866300000000, -0.0021828200000000 ] - [ -0.0011592300000000, 0.0001858100000000, -0.0021834200000000 ] - [ -0.0041483800000000, 0.0000615600000000, -0.0031028500000000 ] - [ -0.0036807100000000, 0.0000523000000000, 0.0069693500000000 ] - [ 0.0010337700000000, -0.2676945300000000, -0.0003888100000000 ] - [ 0.0036013400000000, 0.1589970600000000, -0.0002975700000000 ] - [ -0.0016148300000000, 0.0000012700000000, 0.0021903300000000 ] - [ -0.0001093600000000, -0.0000012600000000, 0.0032438000000000 ] - [ -0.0004951000000000, -0.0003781700000000, -0.0017758900000000 ] - [ -0.0005173700000000, 0.0003143900000000, -0.0018092600000000 ] - [ -0.0032385500000000, -0.0001759900000000, -0.0007923000000000 ] - [ -0.0032396500000000, 0.0000720500000000, -0.0007923300000000 ] - [ -0.0015440100000000, 0.0000671100000000, 0.0036482800000000 ] - [ -0.0009055400000000, 0.0000543800000000, -0.0082284800000000 ] - [ -0.0039096600000000, -0.0000938900000000, 0.0018711400000000 ] - [ -0.0039051800000000, 0.0000869800000000, 0.0018602300000000 ] - [ 0.0031968700000000, 0.0000255100000000, -0.0003324800000000 ] - [ 0.0040809800000000, 0.0000246600000000, -0.0002101200000000 ] - [ -0.0009029400000000, -0.0009676800000000, 0.0026373100000000 ] - [ -0.0009194300000000, 0.0008640000000000, 0.0026641800000000 ] - [ 0.0001196400000000, 0.0000076400000000, 0.0001095600000000 ] - [ -0.0003655300000000, 0.0000038300000000, 0.0006661000000000 ] - [ 0.0050553900000000, 0.0000174300000000, 0.0014604900000000 ] - [ 0.0048721600000000, 0.0000144000000000, 0.0014412700000000 ] - [ 0.0006798000000000, -0.0000008800000000, 0.0009080100000000 ] - [ 0.0005653700000000, -0.0000004500000000, 0.0007626200000000 ] - [ 0.0006200600000000, 0.0007949400000000, 0.0009080400000000 ] - [ 0.0006231800000000, -0.0008298800000000, 0.0009174000000000 ] - [ 0.0020130800000000, 0.0003553600000000, 0.0001285300000000 ] - [ 0.0020226700000000, 0.0000215100000000, 0.0001308400000000 ] - [ 0.0001487200000000, 0.0005905600000000, -0.0000057000000000 ] - [ 0.0001665900000000, -0.0003291300000000, -0.0000156100000000 ] - [ -0.0004485400000000, 0.0000070600000000, 0.0004418100000000 ] - [ -0.0009166100000000, 0.0000075200000000, -0.0003566100000000 ] - [ -0.0000745800000000, 0.0000236700000000, -0.0000886200000000 ] - [ -0.0000742300000000, -0.0000228300000000, -0.0000878300000000 ] - [ 0.0026121600000000, 0.0000401100000000, -0.0002058800000000 ] - [ 0.0037785000000000, 0.0002129300000000, -0.0001004300000000 ] - [ -0.0006250300000000, 0.0000719600000000, 0.0003389700000000 ] - [ -0.0000878700000000, 0.0000998100000000, -0.0000701800000000 ] - [ -0.0030710400000000, 0.0002830000000000, 0.0005657900000000 ] - [ -0.0030694000000000, -0.0002820100000000, 0.0005657500000000 ] - [ 0.0039670800000000, 0.0016981700000000, -0.0013974300000000 ] - [ 0.0039599600000000, -0.0019086100000000, -0.0014007200000000 ] - [ 0.0016173300000000, -0.0000014000000000, 0.0023606700000000 ] - [ 0.0014110600000000, 0.0000014400000000, 0.0021461300000000 ] - [ 0.0002181600000000, 0.0067595700000000, 0.0001440700000000 ] - [ 0.0002308200000000, -0.0129370700000000, 0.0005455100000000 ] - [ 0.0025959500000000, -0.0000043200000000, 0.0009191900000000 ] - [ 0.0003386200000000, -0.0000037000000000, -0.0002838000000000 ] - [ 0.0002180600000000, 0.0000279800000000, 0.0000745900000000 ] - [ 0.0002291700000000, -0.0000252000000000, 0.0000755600000000 ] - [ -0.0001073400000000, 0.0246271900000000, -0.0001621700000000 ] - [ -0.0004820800000000, -0.0058309800000000, -0.0001253900000000 ] - [ 0.0000839400000000, 0.0004174700000000, -0.0023563100000000 ] - [ 0.0000845000000000, -0.0004202700000000, -0.0023551900000000 ] - [ 0.0021934400000000, -0.0000391800000000, 0.0042953300000000 ] - [ -0.0028266300000000, -0.0000413000000000, -0.0068752200000000 ] - [ -0.0252992700000000, 0.0456835600000000, -0.0030769900000000 ] - [ 0.0171108400000000, 0.0524597800000000, 0.0017428600000000 ] - [ 0.0001351700000000, 0.0000011400000000, 0.0007882900000000 ] - [ -0.0005538600000000, -0.0000014400000000, -0.0004550300000000 ] - [ -0.0001387000000000, 0.0003064500000000, 0.0003170000000000 ] - [ -0.0001168200000000, -0.0002692600000000, 0.0003526400000000 ] - [ 0.0046352100000000, 0.0190796600000000, 0.0014570000000000 ] - [ 0.0049565100000000, -0.0163167400000000, 0.0014575200000000 ] - [ 0.0006905600000000, 0.0071537000000000, 0.0011919800000000 ] - [ 0.0006441700000000, -0.0115826000000000, 0.0008799300000000 ] - [ 0.0005890700000000, -0.0000040300000000, 0.0008840200000000 ] - [ 0.0006455900000000, 0.0000128700000000, 0.0009212200000000 ] - [ 0.0136914100000000, 0.0003082100000000, -0.0015101100000000 ] - [ -0.0097170900000000, 0.0002915100000000, 0.0017811600000000 ] - [ 0.0004124400000000, -0.0000009500000000, 0.0000294200000000 ] - [ -0.0001972700000000, -0.0000004800000000, -0.0000660100000000 ] - [ -0.0006831700000000, 0.0003430700000000, 0.0000365900000000 ] - [ -0.0006649100000000, -0.0001311800000000, 0.0000551400000000 ] - [ 0.0032422200000000, 0.0000308900000000, -0.0065534100000000 ] - [ -0.0034201000000000, 0.0000301900000000, 0.0066114700000000 ] - [ 0.0032293300000000, 0.0016976400000000, -0.0001514000000000 ] - [ 0.0032278900000000, -0.0016988900000000, -0.0001518900000000 ] - [ -0.0003771400000000, 0.0000895000000000, 0.0001241400000000 ] - [ -0.0003753800000000, -0.0000911700000000, 0.0001283500000000 ] - [ -0.0039017200000000, 0.0005776800000000, 0.0005245300000000 ] - [ -0.0021521900000000, 0.0006697300000000, 0.0005929100000000 ] - [ 0.0039758000000000, 0.0000002700000000, -0.0013918600000000 ] - [ 0.0039149200000000, 0.0000057600000000, -0.0013989300000000 ] - [ 0.0015420600000000, 0.0016669300000000, 0.0022733000000000 ] - [ 0.0015350700000000, -0.0017517200000000, 0.0022738100000000 ] - [ 0.0002402200000000, -0.0000002800000000, 0.0006022100000000 ] - [ 0.0001700000000000, 0.0000001700000000, 0.0004888500000000 ] - [ 0.0014880600000000, 0.0000972300000000, 0.0003393600000000 ] - [ 0.0014900800000000, -0.0001224600000000, 0.0003271400000000 ] - [ 0.0019072700000000, -0.0000090400000000, -0.0003479900000000 ] - [ -0.0014039900000000, -0.0000077200000000, 0.0005173900000000 ] - [ 0.0005257100000000, -0.0000098900000000, -0.0000625600000000 ] - [ -0.0015772100000000, -0.0000133600000000, -0.0002022300000000 ] - [ -0.0000427000000000, 0.0000128200000000, -0.0029508500000000 ] - [ 0.0002340100000000, 0.0000300500000000, -0.0017124000000000 ] - [ -0.0003046100000000, 0.0000192600000000, -0.0012082700000000 ] - [ -0.0003040700000000, -0.0000137500000000, -0.0012075000000000 ] - [ -0.0050445600000000, 0.0001870100000000, -0.0007274200000000 ] - [ -0.0050432900000000, -0.0001942100000000, -0.0007276500000000 ] - [ -0.0002129900000000, 0.0003235500000000, 0.0002466000000000 ] - [ -0.0001971200000000, -0.0002392800000000, 0.0002159700000000 ]- atom: 21 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0036887800000000, -0.0001032200000000, 0.0002680700000000 ] - [ 0.0036887800000000, 0.0001032200000000, 0.0002680700000000 ] - [ -0.0087742100000000, 0.0001405300000000, 0.0006651200000000 ] - [ -0.0087742100000000, -0.0001405300000000, 0.0006651200000000 ] - [ -0.0113040600000000, 0.0000000000000000, 0.0824131000000000 ] - [ -0.0035066800000000, 0.0000000000000000, -0.0034154100000000 ] - [ 0.0070297500000000, 0.0000000000000000, 0.0870927700000000 ] - [ 0.0084119900000000, 0.0000000000000000, -0.0003194900000000 ] - [ -0.0529449800000000, 0.0000000000000000, -0.0122178300000000 ] - [ -0.0023033500000000, 0.0000000000000000, -0.0031229100000000 ] - [ 0.0002870700000000, 0.0002992800000000, 0.0011210200000000 ] - [ 0.0002870700000000, -0.0002992800000000, 0.0011210200000000 ] - [ -0.0060073800000000, -0.0031468700000000, 0.0069210300000000 ] - [ -0.0060073800000000, 0.0031468700000000, 0.0069210300000000 ] - [ -0.0148804600000000, 0.0230386700000000, -0.0167144500000000 ] - [ -0.0148804600000000, -0.0230386700000000, -0.0167144500000000 ] - [ 0.0007940400000000, 0.0000000000000000, -0.0033784900000000 ] - [ 0.0006609500000000, 0.0000000000000000, -0.0031424800000000 ] - [ 0.0072128700000000, -0.0052911500000000, -0.0026074400000000 ] - [ 0.0072128700000000, 0.0052911500000000, -0.0026074400000000 ] - [ 0.2429946300000000, 0.0000000000000000, -0.1885802500000000 ] - [ 0.0144039200000000, 0.0000000000000000, -0.0221788700000000 ] - [ 0.0014897000000000, -0.0000161700000000, 0.0012483900000000 ] - [ 0.0014897000000000, 0.0000161700000000, 0.0012483900000000 ] - [ 0.0139135700000000, 0.0000000000000000, -0.0098661000000000 ] - [ 0.0053728500000000, 0.0000000000000000, -0.0056906500000000 ] - [ -0.0093440300000000, 0.0000000000000000, 0.0020656400000000 ] - [ -0.0069700200000000, 0.0000000000000000, 0.0013793200000000 ] - [ -0.0195336300000000, 0.0031265500000000, 0.0112218800000000 ] - [ -0.0195336300000000, -0.0031265500000000, 0.0112218800000000 ] - [ -0.0024232100000000, 0.0000000000000000, 0.0149318600000000 ] - [ -0.0032065500000000, 0.0000000000000000, 0.0078989100000000 ] - [ 0.0020754600000000, -0.0001650300000000, 0.0015840400000000 ] - [ 0.0020754600000000, 0.0001650300000000, 0.0015840400000000 ] - [ -0.0275415300000000, 0.0000000000000000, 0.0169211800000000 ] - [ -0.0086168500000000, 0.0000000000000000, 0.0093676300000000 ] - [ 0.0004031100000000, 0.0002146000000000, -0.0035397800000000 ] - [ 0.0004031100000000, -0.0002146000000000, -0.0035397800000000 ] - [ 0.0057494500000000, 0.0001539700000000, 0.0012386200000000 ] - [ 0.0057494500000000, -0.0001539700000000, 0.0012386200000000 ] - [ 0.0006341000000000, 0.0000166700000000, -0.0005954000000000 ] - [ 0.0006341000000000, -0.0000166700000000, -0.0005954000000000 ] - [ -0.0000883200000000, 0.0000000000000000, -0.0085681800000000 ] - [ 0.0016708800000000, 0.0000000000000000, -0.0014868300000000 ] - [ 0.0127794600000000, 0.0000000000000000, 0.0004745900000000 ] - [ 0.0066853100000000, 0.0000000000000000, -0.0000206900000000 ] - [ 0.0323771100000000, 0.0000000000000000, -0.0050410000000000 ] - [ 0.0044578500000000, 0.0000000000000000, -0.0009390000000000 ] - [ -0.0019765300000000, 0.0004479300000000, -0.0015541900000000 ] - [ -0.0019765300000000, -0.0004479300000000, -0.0015541900000000 ] - [ -0.0000410500000000, 0.0000000000000000, 0.0013089700000000 ] - [ -0.0000409700000000, 0.0000000000000000, 0.0008142300000000 ] - [ 0.0072004200000000, 0.0090946100000000, 0.0015177800000000 ] - [ 0.0072004200000000, -0.0090946100000000, 0.0015177800000000 ] - [ -0.0056275000000000, 0.0137507700000000, -0.0063022300000000 ] - [ -0.0056275000000000, -0.0137507700000000, -0.0063022300000000 ] - [ -0.0037605700000000, 0.0000000000000000, 0.0003586600000000 ] - [ -0.0037154600000000, 0.0000000000000000, 0.0004058700000000 ] - [ -0.0057521400000000, 0.0000000000000000, -0.0040524900000000 ] - [ 0.0014638600000000, 0.0000000000000000, -0.0009048100000000 ] - [ 0.0009563600000000, 0.0000396200000000, 0.0023493900000000 ] - [ 0.0009563600000000, -0.0000396200000000, 0.0023493900000000 ] - [ 0.0034568100000000, 0.0000000000000000, 0.0110510800000000 ] - [ -0.0008448800000000, 0.0000000000000000, 0.0128880100000000 ] - [ -0.0017568800000000, 0.0002120800000000, -0.0001495900000000 ] - [ -0.0017568800000000, -0.0002120800000000, -0.0001495900000000 ] - [ -0.0030216000000000, 0.0000000000000000, -0.0001088800000000 ] - [ -0.0021472800000000, 0.0000000000000000, 0.0002025500000000 ] - [ -0.1583636900000000, 0.0000000000000000, 0.0228501900000000 ] - [ -0.0110000800000000, 0.0000000000000000, 0.0026228400000000 ] - [ -0.0003924100000000, 0.0000000000000000, -0.0020577900000000 ] - [ -0.0003976000000000, 0.0000000000000000, -0.0020965300000000 ] - [ -0.0020048400000000, -0.0002980800000000, 0.0122718700000000 ] - [ -0.0020048400000000, 0.0002980800000000, 0.0122718700000000 ] - [ -0.0225557600000000, 0.0138735500000000, 0.0075412400000000 ] - [ -0.0225557600000000, -0.0138735500000000, 0.0075412400000000 ] - [ 0.0000514500000000, -0.0000111200000000, 0.0014218400000000 ] - [ 0.0000514500000000, 0.0000111200000000, 0.0014218400000000 ] - [ 0.0011988700000000, 0.0000000000000000, 0.0131522300000000 ] - [ -0.0007513300000000, 0.0000000000000000, 0.0053670300000000 ] - [ 0.0127034200000000, 0.0000000000000000, 0.0098445100000000 ] - [ 0.0013411500000000, 0.0000000000000000, 0.0035965200000000 ] - [ -0.0057998600000000, 0.0000000000000000, 0.0258329600000000 ] - [ -0.0003896000000000, 0.0000000000000000, 0.0100200100000000 ] - [ -0.0009161500000000, -0.0008900300000000, 0.0008554400000000 ] - [ -0.0009161500000000, 0.0008900300000000, 0.0008554400000000 ] - [ 0.0081441200000000, -0.0008958600000000, 0.0008156700000000 ] - [ 0.0081441200000000, 0.0008958600000000, 0.0008156700000000 ] - [ -0.0012506400000000, -0.0000220800000000, -0.0000913700000000 ] - [ -0.0012506400000000, 0.0000220800000000, -0.0000913700000000 ] - [ -0.0249036400000000, 0.0000000000000000, -0.0094443800000000 ] - [ -0.0074429100000000, 0.0000000000000000, -0.0022335700000000 ] - [ 0.0030377200000000, -0.0025414600000000, -0.0035956500000000 ] - [ 0.0030377200000000, 0.0025414600000000, -0.0035956500000000 ] - [ 0.0045456600000000, 0.0000000000000000, -0.0003588400000000 ] - [ 0.0044652700000000, 0.0000000000000000, -0.0003443700000000 ] - [ -0.0020113400000000, 0.0000000000000000, -0.0005563500000000 ] - [ -0.0012199200000000, 0.0000000000000000, -0.0000850400000000 ] - [ 0.0045619200000000, -0.0178292400000000, -0.0054389800000000 ] - [ 0.0045619200000000, 0.0178292400000000, -0.0054389800000000 ] - [ 0.0031567100000000, -0.0009498700000000, -0.0027423500000000 ] - [ 0.0031567100000000, 0.0009498700000000, -0.0027423500000000 ] - [ 0.0095193200000000, 0.0000000000000000, -0.0039842200000000 ] - [ 0.0042688000000000, 0.0000000000000000, -0.0013296900000000 ] - [ 0.0001246200000000, -0.0000098600000000, -0.0007552900000000 ] - [ 0.0001246200000000, 0.0000098600000000, -0.0007552900000000 ] - [ 0.0071085200000000, 0.0000000000000000, -0.0094153100000000 ] - [ 0.0037212800000000, 0.0000000000000000, -0.0038855700000000 ] - [ 0.0114001000000000, 0.0003001000000000, -0.0024583400000000 ] - [ 0.0114001000000000, -0.0003001000000000, -0.0024583400000000 ] - [ 0.0013717200000000, 0.0000076900000000, -0.0002772000000000 ] - [ 0.0013717200000000, -0.0000076900000000, -0.0002772000000000 ] - [ 0.0030532300000000, 0.0038828100000000, -0.0086394700000000 ] - [ 0.0030532300000000, -0.0038828100000000, -0.0086394700000000 ] - [ -0.0000018100000000, 0.0000000000000000, -0.0086080100000000 ] - [ -0.0000587200000000, 0.0000000000000000, -0.0057498200000000 ] - [ -0.0039281800000000, 0.0000000000000000, -0.0009799800000000 ] - [ -0.0043757000000000, 0.0000000000000000, -0.0009957400000000 ] - [ 0.0043403400000000, 0.0000000000000000, -0.0063597700000000 ] - [ 0.0002948300000000, 0.0000000000000000, -0.0025006900000000 ]- atom: 21 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0007093600000000, 0.0001056400000000, -0.0026283100000000 ] - [ 0.0007093600000000, -0.0001056400000000, -0.0026283100000000 ] - [ 0.0017610900000000, -0.0001472300000000, -0.0007670600000000 ] - [ 0.0017610900000000, 0.0001472300000000, -0.0007670600000000 ] - [ 0.0086442100000000, 0.0000000000000000, -0.0818387100000000 ] - [ 0.0008314400000000, 0.0000000000000000, 0.0032452400000000 ] - [ -0.0026710800000000, 0.0000000000000000, -0.0903935100000000 ] - [ -0.0040707300000000, 0.0000000000000000, -0.0019322400000000 ] - [ 0.0462043700000000, 0.0000000000000000, 0.0120767100000000 ] - [ -0.0047104800000000, 0.0000000000000000, 0.0029971000000000 ] - [ -0.0029715200000000, -0.0002985900000000, -0.0011830000000000 ] - [ -0.0029715200000000, 0.0002985900000000, -0.0011830000000000 ] - [ 0.0049863500000000, 0.0031434500000000, -0.0105766100000000 ] - [ 0.0049863500000000, -0.0031434500000000, -0.0105766100000000 ] - [ 0.0081567200000000, -0.0231963400000000, 0.0152380900000000 ] - [ 0.0081567200000000, 0.0231963400000000, 0.0152380900000000 ] - [ -0.0031394300000000, 0.0000000000000000, -0.0010103400000000 ] - [ -0.0030101300000000, 0.0000000000000000, -0.0012483700000000 ] - [ -0.0150177200000000, 0.0052672800000000, 0.0063490000000000 ] - [ -0.0150177200000000, -0.0052672800000000, 0.0063490000000000 ] - [ -0.2300460100000000, 0.0000000000000000, 0.1897717700000000 ] - [ -0.0071417200000000, 0.0000000000000000, 0.0216094800000000 ] - [ -0.0032625900000000, 0.0000176500000000, 0.0041484500000000 ] - [ -0.0032625900000000, -0.0000176500000000, 0.0041484500000000 ] - [ -0.0150061100000000, 0.0000000000000000, 0.0062769100000000 ] - [ -0.0064219600000000, 0.0000000000000000, 0.0020635700000000 ] - [ 0.0028242900000000, 0.0000000000000000, -0.0036764300000000 ] - [ 0.0004262300000000, 0.0000000000000000, -0.0029817500000000 ] - [ 0.0172105800000000, -0.0031695500000000, -0.0156892700000000 ] - [ 0.0172105800000000, 0.0031695500000000, -0.0156892700000000 ] - [ -0.0054182200000000, 0.0000000000000000, -0.0112604200000000 ] - [ -0.0046278600000000, 0.0000000000000000, -0.0041833100000000 ] - [ 0.0051424900000000, 0.0001652400000000, -0.0021484300000000 ] - [ 0.0051424900000000, -0.0001652400000000, -0.0021484300000000 ] - [ 0.0257005700000000, 0.0000000000000000, -0.0115393700000000 ] - [ 0.0068394600000000, 0.0000000000000000, -0.0040096200000000 ] - [ -0.0006449000000000, -0.0002146800000000, 0.0042884200000000 ] - [ -0.0006449000000000, 0.0002146800000000, 0.0042884200000000 ] - [ 0.0041920400000000, -0.0001557900000000, 0.0016677700000000 ] - [ 0.0041920400000000, 0.0001557900000000, 0.0016677700000000 ] - [ 0.0006156700000000, -0.0000170900000000, 0.0022715100000000 ] - [ 0.0006156700000000, 0.0000170900000000, 0.0022715100000000 ] - [ 0.0013336200000000, 0.0000000000000000, 0.0103984900000000 ] - [ -0.0004304100000000, 0.0000000000000000, 0.0033160000000000 ] - [ -0.0087148000000000, 0.0000000000000000, -0.0002288100000000 ] - [ -0.0025842800000000, 0.0000000000000000, 0.0002822700000000 ] - [ -0.0321321600000000, 0.0000000000000000, 0.0049535900000000 ] - [ -0.0042252700000000, 0.0000000000000000, 0.0009131000000000 ] - [ 0.0006118800000000, -0.0004452100000000, 0.0016560500000000 ] - [ 0.0006118800000000, 0.0004452100000000, 0.0016560500000000 ] - [ -0.0000963000000000, 0.0000000000000000, -0.0014668600000000 ] - [ -0.0000979600000000, 0.0000000000000000, -0.0009666900000000 ] - [ -0.0007067700000000, -0.0091502700000000, -0.0018052800000000 ] - [ -0.0007067700000000, 0.0091502700000000, -0.0018052800000000 ] - [ 0.0048778900000000, -0.0137046000000000, 0.0065353700000000 ] - [ 0.0048778900000000, 0.0137046000000000, 0.0065353700000000 ] - [ -0.0023665800000000, 0.0000000000000000, 0.0007798000000000 ] - [ -0.0024088600000000, 0.0000000000000000, 0.0007322900000000 ] - [ 0.0136151400000000, 0.0000000000000000, 0.0012325500000000 ] - [ 0.0064354100000000, 0.0000000000000000, -0.0018817600000000 ] - [ 0.0020776700000000, -0.0000415300000000, 0.0021664600000000 ] - [ 0.0020776700000000, 0.0000415300000000, 0.0021664600000000 ] - [ -0.0024988000000000, 0.0000000000000000, -0.0062087900000000 ] - [ 0.0012476000000000, 0.0000000000000000, -0.0115769300000000 ] - [ 0.0047179200000000, -0.0002112000000000, 0.0008021700000000 ] - [ 0.0047179200000000, 0.0002112000000000, 0.0008021700000000 ] - [ 0.0035000300000000, 0.0000000000000000, 0.0002658600000000 ] - [ 0.0026326100000000, 0.0000000000000000, -0.0000478200000000 ] - [ 0.1518996600000000, 0.0000000000000000, -0.0242343500000000 ] - [ 0.0099899200000000, 0.0000000000000000, -0.0028696800000000 ] - [ 0.0005714000000000, 0.0000000000000000, -0.0026418800000000 ] - [ 0.0005773800000000, 0.0000000000000000, -0.0026006700000000 ] - [ 0.0014148700000000, 0.0003137100000000, -0.0147139600000000 ] - [ 0.0014148700000000, -0.0003137100000000, -0.0147139600000000 ] - [ 0.0122448000000000, -0.0135526000000000, -0.0088353700000000 ] - [ 0.0122448000000000, 0.0135526000000000, -0.0088353700000000 ] - [ -0.0004496700000000, 0.0000105000000000, -0.0010558800000000 ] - [ -0.0004496700000000, -0.0000105000000000, -0.0010558800000000 ] - [ -0.0014620600000000, 0.0000000000000000, -0.0124887500000000 ] - [ 0.0005089600000000, 0.0000000000000000, -0.0046477900000000 ] - [ -0.0026758800000000, 0.0000000000000000, -0.0069769500000000 ] - [ 0.0086550300000000, 0.0000000000000000, -0.0007011200000000 ] - [ 0.0066972100000000, 0.0000000000000000, -0.0286830400000000 ] - [ 0.0016401000000000, 0.0000000000000000, -0.0085723700000000 ] - [ 0.0021623300000000, 0.0008866400000000, 0.0009535300000000 ] - [ 0.0021623300000000, -0.0008866400000000, 0.0009535300000000 ] - [ -0.0039793500000000, 0.0009011500000000, -0.0005666500000000 ] - [ -0.0039793500000000, -0.0009011500000000, -0.0005666500000000 ] - [ 0.0015118300000000, 0.0000217600000000, 0.0000590400000000 ] - [ 0.0015118300000000, -0.0000217600000000, 0.0000590400000000 ] - [ 0.0236383300000000, 0.0000000000000000, 0.0096094800000000 ] - [ 0.0060972200000000, 0.0000000000000000, 0.0023336000000000 ] - [ -0.0031840400000000, 0.0025735000000000, 0.0034447700000000 ] - [ -0.0031840400000000, -0.0025735000000000, 0.0034447700000000 ] - [ 0.0019423900000000, 0.0000000000000000, 0.0000564200000000 ] - [ 0.0020235400000000, 0.0000000000000000, 0.0000424200000000 ] - [ 0.0012741700000000, 0.0000000000000000, 0.0008142000000000 ] - [ 0.0004797500000000, 0.0000000000000000, 0.0003459200000000 ] - [ -0.0106877000000000, 0.0179376500000000, 0.0066423200000000 ] - [ -0.0106877000000000, -0.0179376500000000, 0.0066423200000000 ] - [ 0.0047388900000000, 0.0009545500000000, -0.0000411800000000 ] - [ 0.0047388900000000, -0.0009545500000000, -0.0000411800000000 ] - [ -0.0065060300000000, 0.0000000000000000, 0.0085322800000000 ] - [ -0.0012235900000000, 0.0000000000000000, 0.0058581700000000 ] - [ 0.0002908300000000, 0.0000094400000000, 0.0018799800000000 ] - [ 0.0002908300000000, -0.0000094400000000, 0.0018799800000000 ] - [ -0.0041260000000000, 0.0000000000000000, 0.0100879000000000 ] - [ -0.0007380200000000, 0.0000000000000000, 0.0045508100000000 ] - [ -0.0109209300000000, -0.0002971700000000, 0.0026169000000000 ] - [ -0.0109209300000000, 0.0002971700000000, 0.0026169000000000 ] - [ -0.0023627500000000, -0.0000079100000000, 0.0000121300000000 ] - [ -0.0023627500000000, 0.0000079100000000, 0.0000121300000000 ] - [ -0.0028740600000000, -0.0038797200000000, 0.0039707300000000 ] - [ -0.0028740600000000, 0.0038797200000000, 0.0039707300000000 ] - [ -0.0006034500000000, 0.0000000000000000, 0.0062222000000000 ] - [ -0.0005452600000000, 0.0000000000000000, 0.0033379200000000 ] - [ -0.0061455200000000, 0.0000000000000000, -0.0004726700000000 ] - [ -0.0056946700000000, 0.0000000000000000, -0.0004567900000000 ] - [ -0.0047191900000000, 0.0000000000000000, 0.0067993600000000 ] - [ -0.0006936500000000, 0.0000000000000000, 0.0029090400000000 ]- atom: 23 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0060445300000000, 0.0000000000000000, -0.0362119100000000 ] - [ -0.0023747600000000, 0.0000000000000000, -0.0102191300000000 ] - [ -0.0176003000000000, 0.0000000000000000, 0.0082623700000000 ] - [ -0.0107646100000000, 0.0000000000000000, -0.0035327200000000 ] - [ 0.0083529600000000, -0.0029260500000000, 0.0016022600000000 ] - [ 0.0083529600000000, 0.0029260500000000, 0.0016022600000000 ] - [ 0.0084785700000000, -0.0000650300000000, 0.0044850100000000 ] - [ 0.0084785700000000, 0.0000650300000000, 0.0044850100000000 ] - [ 0.0013433700000000, 0.0000480800000000, 0.0048119900000000 ] - [ 0.0013433700000000, -0.0000480800000000, 0.0048119900000000 ] - [ 0.0945446400000000, 0.0000000000000000, -0.0156146400000000 ] - [ -0.0065556100000000, 0.0000000000000000, -0.0035641400000000 ] - [ 0.0055694400000000, 0.0000000000000000, -0.0060267100000000 ] - [ 0.0018177100000000, 0.0000000000000000, -0.0046308300000000 ] - [ 0.0010483700000000, 0.0000000000000000, 0.0173655700000000 ] - [ -0.0026313900000000, 0.0000000000000000, 0.0063768500000000 ] - [ -0.0189193500000000, 0.0032403600000000, -0.0016884900000000 ] - [ -0.0189193500000000, -0.0032403600000000, -0.0016884900000000 ] - [ 0.0625222000000000, 0.0000000000000000, 0.0151436600000000 ] - [ -0.0057708000000000, 0.0000000000000000, 0.0001618900000000 ] - [ 0.0102023300000000, -0.0007530800000000, 0.0062827500000000 ] - [ 0.0102023300000000, 0.0007530800000000, 0.0062827500000000 ] - [ -0.2598574800000000, 0.0000000000000000, -0.0410691500000000 ] - [ -0.0235649500000000, 0.0000000000000000, 0.0012556500000000 ] - [ 0.0033268100000000, 0.0046676600000000, 0.0074369300000000 ] - [ 0.0033268100000000, -0.0046676600000000, 0.0074369300000000 ] - [ -0.0013851900000000, 0.0010583900000000, -0.0052125600000000 ] - [ -0.0013851900000000, -0.0010583900000000, -0.0052125600000000 ] - [ 0.0045465900000000, 0.0000000000000000, 0.0018312000000000 ] - [ 0.0037661500000000, 0.0000000000000000, 0.0007789600000000 ] - [ 0.0091592300000000, 0.0036582500000000, 0.0037638400000000 ] - [ 0.0091592300000000, -0.0036582500000000, 0.0037638400000000 ] - [ -0.0034148300000000, 0.0000000000000000, -0.0350869800000000 ] - [ -0.0019183800000000, 0.0000000000000000, -0.0124038700000000 ] - [ 0.0086547500000000, -0.0001081700000000, 0.0047739200000000 ] - [ 0.0086547500000000, 0.0001081700000000, 0.0047739200000000 ] - [ 0.0004050000000000, 0.0000000000000000, 0.0024069200000000 ] - [ 0.0002493900000000, 0.0000000000000000, 0.0023392100000000 ] - [ 0.0041105300000000, 0.0000000000000000, 0.0033469400000000 ] - [ 0.0054638500000000, 0.0000000000000000, 0.0023461700000000 ] - [ 0.0019360300000000, 0.0000000000000000, 0.0196938900000000 ] - [ 0.0012050500000000, 0.0000000000000000, 0.0105115500000000 ] - [ -0.0005004800000000, 0.0011873500000000, 0.0017643500000000 ] - [ -0.0005004800000000, -0.0011873500000000, 0.0017643500000000 ] - [ -0.0004365400000000, -0.0000376500000000, 0.0001803100000000 ] - [ -0.0004365400000000, 0.0000376500000000, 0.0001803100000000 ] - [ -0.0081930300000000, 0.0002455300000000, -0.0002258600000000 ] - [ -0.0081930300000000, -0.0002455300000000, -0.0002258600000000 ] - [ -0.0043517400000000, 0.0000000000000000, 0.0100460700000000 ] - [ 0.0012232200000000, 0.0000000000000000, 0.0037504300000000 ] - [ 0.0009507200000000, -0.0000911600000000, 0.0022215600000000 ] - [ 0.0009507200000000, 0.0000911600000000, 0.0022215600000000 ] - [ 0.0022798600000000, 0.0000000000000000, -0.0012686700000000 ] - [ 0.0022881600000000, 0.0000000000000000, -0.0012462700000000 ] - [ -0.0105033700000000, 0.0000000000000000, 0.0018997700000000 ] - [ -0.0026319100000000, 0.0000000000000000, 0.0008599600000000 ] - [ 0.0021477300000000, 0.0035586200000000, 0.0047418800000000 ] - [ 0.0021477300000000, -0.0035586200000000, 0.0047418800000000 ] - [ -0.0020346600000000, 0.0135313300000000, -0.0005096800000000 ] - [ -0.0020346600000000, -0.0135313300000000, -0.0005096800000000 ] - [ 0.0142272700000000, 0.0000000000000000, -0.0005670000000000 ] - [ 0.0049999900000000, 0.0000000000000000, 0.0033130500000000 ] - [ -0.0013985300000000, 0.0003593200000000, -0.0037601600000000 ] - [ -0.0013985300000000, -0.0003593200000000, -0.0037601600000000 ] - [ -0.0096759900000000, 0.0000000000000000, -0.0035368700000000 ] - [ 0.0089691000000000, 0.0000000000000000, 0.0020980200000000 ] - [ 0.0066154400000000, -0.0022689900000000, -0.0033460000000000 ] - [ 0.0066154400000000, 0.0022689900000000, -0.0033460000000000 ] - [ -0.0058371900000000, 0.0000195200000000, -0.0010401300000000 ] - [ -0.0058371900000000, -0.0000195200000000, -0.0010401300000000 ] - [ 0.0118340900000000, 0.0007962300000000, 0.0009082900000000 ] - [ 0.0118340900000000, -0.0007962300000000, 0.0009082900000000 ] - [ -0.0032797400000000, 0.0000000000000000, -0.0213466000000000 ] - [ -0.0004034000000000, 0.0000000000000000, -0.0065155400000000 ] - [ -0.0078136000000000, 0.0000000000000000, -0.0022488600000000 ] - [ -0.0066365700000000, 0.0000000000000000, -0.0018103200000000 ] - [ 0.0286394000000000, 0.0000000000000000, 0.0334377400000000 ] - [ 0.0030939600000000, 0.0000000000000000, 0.0037473900000000 ] - [ -0.0008504600000000, -0.0001572500000000, -0.0049900800000000 ] - [ -0.0008504600000000, 0.0001572500000000, -0.0049900800000000 ] - [ 0.0028087300000000, 0.0021659600000000, -0.0003473700000000 ] - [ 0.0028087300000000, -0.0021659600000000, -0.0003473700000000 ] - [ -0.0002613700000000, 0.0000781600000000, -0.0042228400000000 ] - [ -0.0002613700000000, -0.0000781600000000, -0.0042228400000000 ] - [ -0.0036121700000000, 0.0000000000000000, -0.0067288400000000 ] - [ 0.0003564800000000, 0.0000000000000000, -0.0006343000000000 ] - [ 0.0045569900000000, 0.0000000000000000, -0.0025659500000000 ] - [ 0.0046442800000000, 0.0000000000000000, -0.0003695900000000 ] - [ 0.1108014800000000, 0.0000000000000000, 0.0101821700000000 ] - [ 0.0146012600000000, 0.0000000000000000, -0.0001229300000000 ] - [ -0.0071858900000000, -0.0004807700000000, -0.0027341500000000 ] - [ -0.0071858900000000, 0.0004807700000000, -0.0027341500000000 ] - [ -0.0011086800000000, 0.0000000000000000, -0.0059393600000000 ] - [ -0.0006650100000000, 0.0000000000000000, -0.0038340700000000 ] - [ 0.0054279000000000, 0.0019747000000000, -0.0003435200000000 ] - [ 0.0054279000000000, -0.0019747000000000, -0.0003435200000000 ] - [ -0.0088166400000000, -0.0134951600000000, -0.0036203800000000 ] - [ -0.0088166400000000, 0.0134951600000000, -0.0036203800000000 ] - [ -0.0060551100000000, 0.0000000000000000, -0.0003444500000000 ] - [ -0.0056928900000000, 0.0000000000000000, -0.0002531500000000 ] - [ -0.0059902500000000, 0.0000000000000000, -0.0022370700000000 ] - [ 0.0017469200000000, 0.0000000000000000, -0.0012990200000000 ] - [ -0.0006178000000000, 0.0002588800000000, 0.0013403300000000 ] - [ -0.0006178000000000, -0.0002588800000000, 0.0013403300000000 ] - [ -0.0064671100000000, 0.0000000000000000, 0.0397993400000000 ] - [ 0.0005500400000000, 0.0000000000000000, 0.0077379500000000 ] - [ -0.0066476300000000, -0.0001799600000000, -0.0017932800000000 ] - [ -0.0066476300000000, 0.0001799600000000, -0.0017932800000000 ] - [ -0.0040208300000000, 0.0000000000000000, 0.0001102300000000 ] - [ -0.0030582500000000, 0.0000000000000000, 0.0001398800000000 ] - [ 0.0128371700000000, 0.0000000000000000, 0.0024974800000000 ] - [ 0.0058213900000000, 0.0000000000000000, 0.0014314300000000 ] - [ -0.0016979900000000, 0.0000000000000000, -0.0034115500000000 ] - [ -0.0016024400000000, 0.0000000000000000, -0.0031546400000000 ] - [ -0.0014375700000000, -0.0004988900000000, 0.0019429300000000 ] - [ -0.0014375700000000, 0.0004988900000000, 0.0019429300000000 ] - [ -0.0050165300000000, -0.0028053400000000, 0.0024753100000000 ] - [ -0.0050165300000000, 0.0028053400000000, 0.0024753100000000 ] - [ -0.0012923900000000, -0.0000001000000000, -0.0024354700000000 ] - [ -0.0012923900000000, 0.0000001000000000, -0.0024354700000000 ]- atom: 23 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0104402700000000, 0.0000000000000000, 0.0341374900000000 ] - [ 0.0067726100000000, 0.0000000000000000, 0.0078674700000000 ] - [ 0.0106394400000000, 0.0000000000000000, -0.0079175300000000 ] - [ 0.0037554000000000, 0.0000000000000000, 0.0034626100000000 ] - [ -0.0110905800000000, 0.0029500200000000, -0.0016704400000000 ] - [ -0.0110905800000000, -0.0029500200000000, -0.0016704400000000 ] - [ -0.0040963100000000, 0.0000635500000000, -0.0068505700000000 ] - [ -0.0040963100000000, -0.0000635500000000, -0.0068505700000000 ] - [ -0.0083850000000000, -0.0000455200000000, -0.0049327800000000 ] - [ -0.0083850000000000, 0.0000455200000000, -0.0049327800000000 ] - [ -0.0965460500000000, 0.0000000000000000, 0.0157004100000000 ] - [ 0.0037471300000000, 0.0000000000000000, 0.0034904800000000 ] - [ -0.0066565800000000, 0.0000000000000000, 0.0024531200000000 ] - [ -0.0028684000000000, 0.0000000000000000, 0.0010213100000000 ] - [ -0.0075475000000000, 0.0000000000000000, -0.0190510900000000 ] - [ -0.0038970100000000, 0.0000000000000000, -0.0080067000000000 ] - [ 0.0165263000000000, -0.0032244800000000, -0.0028732900000000 ] - [ 0.0165263000000000, 0.0032244800000000, -0.0028732900000000 ] - [ -0.0712684800000000, 0.0000000000000000, -0.0115335100000000 ] - [ -0.0019739600000000, 0.0000000000000000, 0.0035765100000000 ] - [ -0.0029933100000000, 0.0007548300000000, -0.0068749600000000 ] - [ -0.0029933100000000, -0.0007548300000000, -0.0068749600000000 ] - [ 0.2492247600000000, 0.0000000000000000, 0.0445158500000000 ] - [ 0.0218023400000000, 0.0000000000000000, 0.0041296200000000 ] - [ -0.0043640200000000, -0.0046417000000000, -0.0110897300000000 ] - [ -0.0043640200000000, 0.0046417000000000, -0.0110897300000000 ] - [ -0.0052097700000000, -0.0010614800000000, 0.0036111000000000 ] - [ -0.0052097700000000, 0.0010614800000000, 0.0036111000000000 ] - [ -0.0069224900000000, 0.0000000000000000, -0.0062199800000000 ] - [ -0.0061359100000000, 0.0000000000000000, -0.0051765100000000 ] - [ -0.0169841500000000, -0.0036546600000000, -0.0000471000000000 ] - [ -0.0169841500000000, 0.0036546600000000, -0.0000471000000000 ] - [ 0.0105856200000000, 0.0000000000000000, 0.0346144000000000 ] - [ 0.0090988900000000, 0.0000000000000000, 0.0118725800000000 ] - [ -0.0104604800000000, 0.0001091200000000, 0.0006194800000000 ] - [ -0.0104604800000000, -0.0001091200000000, 0.0006194800000000 ] - [ -0.0006327000000000, 0.0000000000000000, -0.0017785200000000 ] - [ -0.0004873700000000, 0.0000000000000000, -0.0016321600000000 ] - [ 0.0058597100000000, 0.0000000000000000, -0.0004444400000000 ] - [ 0.0044950600000000, 0.0000000000000000, 0.0005584400000000 ] - [ -0.0006894900000000, 0.0000000000000000, -0.0181580600000000 ] - [ 0.0000490800000000, 0.0000000000000000, -0.0088519200000000 ] - [ 0.0017504800000000, -0.0011940000000000, 0.0000399200000000 ] - [ 0.0017504800000000, 0.0011940000000000, 0.0000399200000000 ] - [ 0.0045905800000000, 0.0000381000000000, 0.0000770700000000 ] - [ 0.0045905800000000, -0.0000381000000000, 0.0000770700000000 ] - [ 0.0084868300000000, -0.0002481200000000, 0.0001923500000000 ] - [ 0.0084868300000000, 0.0002481200000000, 0.0001923500000000 ] - [ 0.0030661500000000, 0.0000000000000000, -0.0100032800000000 ] - [ -0.0025860400000000, 0.0000000000000000, -0.0036712800000000 ] - [ -0.0010949000000000, 0.0000897200000000, -0.0023463200000000 ] - [ -0.0010949000000000, -0.0000897200000000, -0.0023463200000000 ] - [ 0.0042288100000000, 0.0000000000000000, 0.0009690300000000 ] - [ 0.0042210300000000, 0.0000000000000000, 0.0009461300000000 ] - [ 0.0098293600000000, 0.0000000000000000, -0.0016470200000000 ] - [ 0.0018965000000000, 0.0000000000000000, -0.0006055600000000 ] - [ -0.0083055400000000, -0.0036172600000000, -0.0036218300000000 ] - [ -0.0083055400000000, 0.0036172600000000, -0.0036218300000000 ] - [ 0.0099874600000000, -0.0136637300000000, -0.0022793600000000 ] - [ 0.0099874600000000, 0.0136637300000000, -0.0022793600000000 ] - [ -0.0111558000000000, 0.0000000000000000, 0.0049181300000000 ] - [ -0.0019727800000000, 0.0000000000000000, 0.0012169000000000 ] - [ 0.0018211300000000, -0.0003616500000000, 0.0048998300000000 ] - [ 0.0018211300000000, 0.0003616500000000, 0.0048998300000000 ] - [ 0.0100735800000000, 0.0000000000000000, 0.0051395800000000 ] - [ -0.0061467600000000, 0.0000000000000000, -0.0014334500000000 ] - [ -0.0060818900000000, 0.0022427600000000, 0.0034931900000000 ] - [ -0.0060818900000000, -0.0022427600000000, 0.0034931900000000 ] - [ 0.0048592800000000, -0.0000193900000000, 0.0007782600000000 ] - [ 0.0048592800000000, 0.0000193900000000, 0.0007782600000000 ] - [ -0.0114944500000000, -0.0015130200000000, -0.0058048000000000 ] - [ -0.0114944500000000, 0.0015130200000000, -0.0058048000000000 ] - [ 0.0027238500000000, 0.0000000000000000, 0.0190038500000000 ] - [ -0.0002045600000000, 0.0000000000000000, 0.0041307300000000 ] - [ -0.0022567100000000, 0.0000000000000000, 0.0008028100000000 ] - [ -0.0034342500000000, 0.0000000000000000, 0.0003619700000000 ] - [ -0.0283214000000000, 0.0000000000000000, -0.0323788700000000 ] - [ -0.0034936200000000, 0.0000000000000000, -0.0034030500000000 ] - [ 0.0006158500000000, 0.0001565200000000, 0.0057470500000000 ] - [ 0.0006158500000000, -0.0001565200000000, 0.0057470500000000 ] - [ 0.0071356500000000, -0.0021686900000000, 0.0032614900000000 ] - [ 0.0071356500000000, 0.0021686900000000, 0.0032614900000000 ] - [ 0.0015110400000000, -0.0000777800000000, 0.0059155800000000 ] - [ 0.0015110400000000, 0.0000777800000000, 0.0059155800000000 ] - [ 0.0048208300000000, 0.0000000000000000, 0.0085238200000000 ] - [ 0.0008916100000000, 0.0000000000000000, 0.0024637300000000 ] - [ -0.0005510900000000, 0.0000000000000000, 0.0028188300000000 ] - [ -0.0005536200000000, 0.0000000000000000, 0.0006275600000000 ] - [ -0.1000774500000000, 0.0000000000000000, -0.0093080900000000 ] - [ -0.0140877800000000, 0.0000000000000000, 0.0000740300000000 ] - [ 0.0058355600000000, 0.0004781700000000, 0.0028425000000000 ] - [ 0.0058355600000000, -0.0004781700000000, 0.0028425000000000 ] - [ 0.0009667600000000, 0.0000000000000000, 0.0057829900000000 ] - [ 0.0005225900000000, 0.0000000000000000, 0.0036872700000000 ] - [ 0.0010671900000000, -0.0018731700000000, 0.0000095300000000 ] - [ 0.0010671900000000, 0.0018731700000000, 0.0000095300000000 ] - [ 0.0080290800000000, 0.0134734600000000, 0.0038916400000000 ] - [ 0.0080290800000000, -0.0134734600000000, 0.0038916400000000 ] - [ -0.0000654300000000, 0.0000000000000000, 0.0014856900000000 ] - [ -0.0004282400000000, 0.0000000000000000, 0.0013942000000000 ] - [ 0.0138915500000000, 0.0000000000000000, -0.0005504800000000 ] - [ 0.0061597600000000, 0.0000000000000000, -0.0014842300000000 ] - [ 0.0036589200000000, -0.0002584500000000, 0.0031773700000000 ] - [ 0.0036589200000000, 0.0002584500000000, 0.0031773700000000 ] - [ 0.0067932400000000, 0.0000000000000000, -0.0388537600000000 ] - [ -0.0001288100000000, 0.0000000000000000, -0.0066246300000000 ] - [ 0.0096317000000000, 0.0001795100000000, 0.0024495100000000 ] - [ 0.0096317000000000, -0.0001795100000000, 0.0024495100000000 ] - [ 0.0045260600000000, 0.0000000000000000, 0.0000434900000000 ] - [ 0.0035549400000000, 0.0000000000000000, 0.0000120900000000 ] - [ -0.0137099400000000, 0.0000000000000000, -0.0028009500000000 ] - [ -0.0067875600000000, 0.0000000000000000, -0.0017024500000000 ] - [ 0.0018809100000000, 0.0000000000000000, -0.0012857800000000 ] - [ 0.0017849800000000, 0.0000000000000000, -0.0015433700000000 ] - [ 0.0008358500000000, 0.0004969900000000, -0.0043599100000000 ] - [ 0.0008358500000000, -0.0004969900000000, -0.0043599100000000 ] - [ -0.0050340600000000, 0.0028183900000000, -0.0039290400000000 ] - [ -0.0050340600000000, -0.0028183900000000, -0.0039290400000000 ] - [ 0.0008940400000000, 0.0000002900000000, 0.0028060500000000 ] - [ 0.0008940400000000, -0.0000002900000000, 0.0028060500000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021375900000000, -0.0070100400000000, -0.0011543900000000 ] - [ 0.0021453300000000, 0.0069498000000000, -0.0011655200000000 ] - [ -0.0035395800000000, -0.0032605600000000, 0.0002092900000000 ] - [ -0.0035186300000000, 0.0015482600000000, -0.0000717500000000 ] - [ -0.0014919800000000, -0.0000103800000000, -0.0000038500000000 ] - [ -0.0011999000000000, -0.0000110600000000, -0.0000635700000000 ] - [ 0.0024706100000000, 0.0000027700000000, -0.0010282000000000 ] - [ 0.0019320900000000, 0.0000048700000000, -0.0013270000000000 ] - [ -0.0029265800000000, 0.0000002400000000, 0.0005565600000000 ] - [ -0.0040755800000000, -0.0000042700000000, -0.0006559400000000 ] - [ -0.0015446300000000, -0.0028184400000000, -0.0000182600000000 ] - [ -0.0013199100000000, 0.0012484600000000, -0.0000445000000000 ] - [ -0.0005395100000000, -0.0000989500000000, -0.0018022400000000 ] - [ -0.0005361900000000, 0.0000861800000000, -0.0018065300000000 ] - [ -0.0032289500000000, -0.0004069600000000, -0.0008136700000000 ] - [ -0.0032662500000000, 0.0003439600000000, -0.0008109300000000 ] - [ -0.0010996000000000, 0.0018287600000000, 0.0409923500000000 ] - [ -0.0011736900000000, 0.0017313700000000, -0.0448810800000000 ] - [ -0.0039136100000000, -0.0025635100000000, 0.0018210300000000 ] - [ -0.0039670400000000, 0.0018346500000000, 0.0018396200000000 ] - [ 0.0037439800000000, -0.0000013400000000, -0.0002289100000000 ] - [ 0.0034897300000000, 0.0000009600000000, -0.0003390100000000 ] - [ -0.0006802400000000, -0.2687190800000000, 0.0001205900000000 ] - [ -0.0009229900000000, 0.1484571800000000, 0.0027403500000000 ] - [ 0.0039883200000000, -0.0000372100000000, -0.0019259600000000 ] - [ -0.0049419300000000, -0.0000205300000000, -0.0017747900000000 ] - [ -0.0035014400000000, -0.0000275100000000, 0.0029519200000000 ] - [ -0.0030835500000000, -0.0000201200000000, -0.0044325800000000 ] - [ -0.0011813600000000, -0.0000779800000000, -0.0021883700000000 ] - [ -0.0011805200000000, 0.0000631100000000, -0.0021947700000000 ] - [ -0.0037101700000000, -0.0000284700000000, 0.0021306000000000 ] - [ -0.0041436000000000, -0.0000257200000000, 0.0016134200000000 ] - [ 0.0035354000000000, -0.0009684900000000, -0.0002034800000000 ] - [ 0.0035691800000000, 0.0008642400000000, -0.0002504700000000 ] - [ -0.0007780300000000, 0.0000094400000000, 0.0028061900000000 ] - [ -0.0009957900000000, 0.0000096200000000, 0.0026040100000000 ] - [ -0.0001162900000000, 0.0002350600000000, 0.0003270900000000 ] - [ -0.0001174400000000, -0.0000242300000000, 0.0003500000000000 ] - [ 0.0049899400000000, 0.0014142900000000, 0.0014424800000000 ] - [ 0.0049854000000000, -0.0014223000000000, 0.0014429800000000 ] - [ 0.0006365600000000, 0.0007973700000000, 0.0007676800000000 ] - [ 0.0006327800000000, -0.0008622700000000, 0.0008124800000000 ] - [ 0.0006380500000000, 0.0000027800000000, 0.0008914100000000 ] - [ 0.0006089800000000, 0.0000050100000000, 0.0009196100000000 ] - [ 0.0013446600000000, -0.0000007400000000, -0.0002315900000000 ] - [ 0.0027772100000000, -0.0000017100000000, 0.0004799500000000 ] - [ 0.0001269000000000, -0.0000012100000000, -0.0000341400000000 ] - [ 0.0001300200000000, -0.0000010900000000, 0.0000008100000000 ] - [ -0.0006342600000000, 0.0002208700000000, 0.0000562300000000 ] - [ -0.0006496000000000, -0.0001897500000000, 0.0000531400000000 ] - [ 0.0014321700000000, 0.0001963300000000, -0.0104660200000000 ] - [ -0.0015702900000000, 0.0002026500000000, 0.0101681100000000 ] - [ 0.0032495200000000, 0.0004130500000000, -0.0001518600000000 ] - [ 0.0032501600000000, -0.0004131600000000, -0.0001523900000000 ] - [ -0.0003648000000000, 0.0001756900000000, 0.0001256900000000 ] - [ -0.0003633900000000, -0.0001889400000000, 0.0001296000000000 ] - [ 0.0015174700000000, -0.0001796700000000, -0.0031549500000000 ] - [ -0.0075650100000000, -0.0001679400000000, 0.0042447300000000 ] - [ 0.0040956700000000, -0.0000742300000000, -0.0015330000000000 ] - [ 0.0038218300000000, -0.0000863000000000, -0.0012441500000000 ] - [ 0.0015369400000000, 0.0164514200000000, 0.0020762500000000 ] - [ 0.0015306000000000, -0.0129078100000000, 0.0022439900000000 ] - [ 0.0002105700000000, 0.0000022100000000, 0.0005403600000000 ] - [ 0.0002044400000000, 0.0000016500000000, 0.0005811700000000 ] - [ 0.0018323300000000, 0.0074689700000000, 0.0002679100000000 ] - [ 0.0015193900000000, -0.0101520900000000, 0.0003449800000000 ] - [ -0.0053941200000000, -0.0002052000000000, -0.0027183400000000 ] - [ 0.0057730000000000, -0.0002136800000000, 0.0028510500000000 ] - [ -0.0006912400000000, -0.0000000500000000, -0.0001964700000000 ] - [ -0.0003077200000000, -0.0000007900000000, -0.0000690500000000 ] - [ -0.0031074500000000, 0.0536223200000000, 0.0200302800000000 ] - [ 0.0032325200000000, 0.0470725600000000, -0.0228058600000000 ] - [ -0.0003073200000000, 0.0006577100000000, -0.0011704600000000 ] - [ -0.0003008500000000, -0.0004731500000000, -0.0011912100000000 ] - [ -0.0050396200000000, 0.0000958000000000, -0.0007258400000000 ] - [ -0.0050372300000000, -0.0000968200000000, -0.0007258200000000 ] - [ -0.0001650900000000, 0.0286779600000000, 0.0005868700000000 ] - [ -0.0002092100000000, -0.0059351400000000, 0.0001472500000000 ] - [ -0.0006111700000000, 0.0000068300000000, -0.0004146400000000 ] - [ 0.0003645800000000, 0.0000059900000000, 0.0011663700000000 ] - [ 0.0049931900000000, 0.0000098100000000, 0.0014786900000000 ] - [ 0.0049463500000000, 0.0000013500000000, 0.0014287800000000 ] - [ 0.0006003000000000, -0.0000003100000000, 0.0007578300000000 ] - [ 0.0006475500000000, -0.0000011800000000, 0.0009227400000000 ] - [ 0.0006201900000000, 0.0016188000000000, 0.0009270000000000 ] - [ 0.0006138900000000, -0.0017282300000000, 0.0009156200000000 ] - [ 0.0019964600000000, 0.0002139100000000, 0.0001172500000000 ] - [ 0.0020466200000000, -0.0001988200000000, 0.0001327700000000 ] - [ -0.0003120300000000, 0.0102392700000000, 0.0000220300000000 ] - [ 0.0001613900000000, -0.0146723500000000, 0.0000036800000000 ] - [ -0.0013518300000000, 0.0000073200000000, 0.0001449600000000 ] - [ -0.0000179800000000, 0.0000058300000000, -0.0000367900000000 ] - [ -0.0000739200000000, 0.0000179700000000, -0.0000862500000000 ] - [ -0.0000723500000000, -0.0000144600000000, -0.0000769300000000 ] - [ 0.0032836900000000, 0.0003884300000000, 0.0003955400000000 ] - [ 0.0032238600000000, 0.0002197900000000, -0.0007720100000000 ] - [ -0.0007747800000000, 0.0001460700000000, 0.0003357900000000 ] - [ 0.0000468000000000, 0.0000873000000000, -0.0000428500000000 ] - [ -0.0030631700000000, 0.0001413400000000, 0.0005707200000000 ] - [ -0.0030630100000000, -0.0001444800000000, 0.0005708000000000 ] - [ 0.0039521800000000, 0.0003872300000000, -0.0013941000000000 ] - [ 0.0039505900000000, -0.0004476500000000, -0.0013936300000000 ] - [ 0.0014752000000000, 0.0000031800000000, 0.0022397500000000 ] - [ 0.0015639800000000, 0.0000013500000000, 0.0022769700000000 ] - [ 0.0002227900000000, 0.0007346200000000, 0.0005019800000000 ] - [ 0.0002055700000000, -0.0001647400000000, 0.0005660400000000 ] - [ 0.0012705600000000, -0.0000059900000000, 0.0002605800000000 ] - [ 0.0017025800000000, -0.0000056200000000, 0.0003968800000000 ] - [ 0.0002474600000000, 0.0000188200000000, 0.0000753200000000 ] - [ 0.0002453400000000, -0.0000026700000000, 0.0000751900000000 ] - [ -0.0004101900000000, 0.0004026200000000, -0.0001527600000000 ] - [ -0.0004580400000000, -0.0002886900000000, -0.0001319400000000 ] - [ 0.0000892100000000, 0.0000880300000000, -0.0023499600000000 ] - [ 0.0000891700000000, -0.0000987800000000, -0.0023496500000000 ] - [ -0.0001256600000000, 0.0000117600000000, -0.0022652500000000 ] - [ -0.0004736200000000, 0.0000104500000000, -0.0002115700000000 ] - [ -0.0047009200000000, 0.0000177800000000, -0.0008972400000000 ] - [ -0.0053363300000000, 0.0000030300000000, -0.0005720400000000 ] - [ -0.0002614800000000, -0.0000014500000000, 0.0000218100000000 ] - [ -0.0001401600000000, -0.0000021600000000, 0.0003313800000000 ]- atom: 23 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0131615600000000, 0.0000000000000000, 0.0229524000000000 ] - [ -0.0010548700000000, 0.0000000000000000, 0.0049698400000000 ] - [ -0.0032923400000000, 0.0000000000000000, 0.0530876200000000 ] - [ -0.0021635900000000, 0.0000000000000000, 0.0016906800000000 ] - [ -0.0059287500000000, 0.0015200100000000, -0.0004972900000000 ] - [ -0.0059287500000000, -0.0015200100000000, -0.0004972900000000 ] - [ 0.0016549600000000, -0.0001179200000000, -0.0022495100000000 ] - [ 0.0016549600000000, 0.0001179200000000, -0.0022495100000000 ] - [ -0.0032850900000000, -0.0000178200000000, -0.0001709500000000 ] - [ -0.0032850900000000, 0.0000178200000000, -0.0001709500000000 ] - [ -0.0456856500000000, 0.0000000000000000, 0.0030670900000000 ] - [ 0.0042639500000000, 0.0000000000000000, -0.0019775400000000 ] - [ -0.0062685300000000, 0.0000000000000000, 0.0067109300000000 ] - [ -0.0038325500000000, 0.0000000000000000, 0.0041728800000000 ] - [ 0.0081585900000000, 0.0000000000000000, -0.0098406700000000 ] - [ 0.0012412100000000, 0.0000000000000000, -0.0051746900000000 ] - [ 0.0114810600000000, 0.0268533800000000, 0.0134693500000000 ] - [ 0.0114810600000000, -0.0268533800000000, 0.0134693500000000 ] - [ -0.0414980200000000, 0.0000000000000000, -0.0133350800000000 ] - [ -0.0065601800000000, 0.0000000000000000, -0.0024663100000000 ] - [ 0.0040278200000000, -0.0000748800000000, -0.0028767200000000 ] - [ 0.0040278200000000, 0.0000748800000000, -0.0028767200000000 ] - [ 0.0910671000000000, 0.0000000000000000, -0.3979911700000000 ] - [ 0.0092930600000000, 0.0000000000000000, -0.0120015200000000 ] - [ 0.0052229600000000, -0.0021993700000000, -0.0063862300000000 ] - [ 0.0052229600000000, 0.0021993700000000, -0.0063862300000000 ] - [ -0.0055045900000000, -0.0006323800000000, 0.0084544100000000 ] - [ -0.0055045900000000, 0.0006323800000000, 0.0084544100000000 ] - [ -0.0020172800000000, 0.0000000000000000, -0.0005579000000000 ] - [ -0.0018073200000000, 0.0000000000000000, -0.0014273400000000 ] - [ -0.0091206000000000, -0.0019331300000000, 0.0017630800000000 ] - [ -0.0091206000000000, 0.0019331300000000, 0.0017630800000000 ] - [ -0.0101082000000000, 0.0000000000000000, 0.0215404200000000 ] - [ -0.0015191900000000, 0.0000000000000000, 0.0079657400000000 ] - [ -0.0039159200000000, -0.0000323800000000, 0.0030356200000000 ] - [ -0.0039159200000000, 0.0000323800000000, 0.0030356200000000 ] - [ 0.0002508200000000, 0.0000000000000000, -0.0108379100000000 ] - [ -0.0000632200000000, 0.0000000000000000, -0.0056646000000000 ] - [ 0.0076649100000000, 0.0000000000000000, -0.0008325200000000 ] - [ 0.0063767800000000, 0.0000000000000000, -0.0002044500000000 ] - [ 0.0022721600000000, 0.0000000000000000, -0.0172331100000000 ] - [ 0.0013809600000000, 0.0000000000000000, -0.0087384300000000 ] - [ 0.0014212300000000, -0.0003867200000000, -0.0004033400000000 ] - [ 0.0014212300000000, 0.0003867200000000, -0.0004033400000000 ] - [ 0.0022301800000000, 0.0000363100000000, -0.0007682400000000 ] - [ 0.0022301800000000, -0.0000363100000000, -0.0007682400000000 ] - [ 0.0032773500000000, -0.0001237500000000, -0.0001445600000000 ] - [ 0.0032773500000000, 0.0001237500000000, -0.0001445600000000 ] - [ 0.0069972900000000, 0.0000000000000000, -0.0030616900000000 ] - [ 0.0029219500000000, 0.0000000000000000, -0.0011772700000000 ] - [ -0.0005792600000000, -0.0013925000000000, -0.0093798900000000 ] - [ -0.0005792600000000, 0.0013925000000000, -0.0093798900000000 ] - [ 0.0031960300000000, 0.0000000000000000, -0.0001104300000000 ] - [ 0.0032005800000000, 0.0000000000000000, -0.0001144000000000 ] - [ 0.0062237300000000, 0.0000000000000000, -0.0017973700000000 ] - [ 0.0013967500000000, 0.0000000000000000, -0.0008209600000000 ] - [ -0.0010948800000000, -0.0049386000000000, -0.0024452500000000 ] - [ -0.0010948800000000, 0.0049386000000000, -0.0024452500000000 ] - [ 0.0075171700000000, -0.0070778200000000, -0.0013373200000000 ] - [ 0.0075171700000000, 0.0070778200000000, -0.0013373200000000 ] - [ -0.0024345700000000, 0.0000000000000000, -0.0114414800000000 ] - [ 0.0025283200000000, 0.0000000000000000, 0.0050099500000000 ] - [ 0.0006949800000000, -0.0001059800000000, 0.0028179800000000 ] - [ 0.0006949800000000, 0.0001059800000000, 0.0028179800000000 ] - [ -0.0063585100000000, 0.0000000000000000, 0.0212494100000000 ] - [ 0.0038094200000000, 0.0000000000000000, 0.0011749800000000 ] - [ -0.0098093400000000, -0.0002416600000000, 0.0013493400000000 ] - [ -0.0098093400000000, 0.0002416600000000, 0.0013493400000000 ] - [ -0.0005232400000000, 0.0000129600000000, 0.0001097200000000 ] - [ -0.0005232400000000, -0.0000129600000000, 0.0001097200000000 ] - [ -0.0036520700000000, 0.0270182600000000, 0.0280096800000000 ] - [ -0.0036520700000000, -0.0270182600000000, 0.0280096800000000 ] - [ -0.0004973900000000, 0.0000000000000000, 0.0163514500000000 ] - [ -0.0007868400000000, 0.0000000000000000, 0.0059089700000000 ] - [ -0.0059851700000000, 0.0000000000000000, -0.0001239600000000 ] - [ -0.0056312100000000, 0.0000000000000000, -0.0002671200000000 ] - [ 0.0205948600000000, 0.0000000000000000, 0.2609284600000000 ] - [ -0.0007965000000000, 0.0000000000000000, 0.0109089400000000 ] - [ -0.0005237700000000, 0.0000807000000000, 0.0012611800000000 ] - [ -0.0005237700000000, -0.0000807000000000, 0.0012611800000000 ] - [ 0.0041875300000000, 0.0003970000000000, 0.0021271100000000 ] - [ 0.0041875300000000, -0.0003970000000000, 0.0021271100000000 ] - [ 0.0006050600000000, 0.0000127500000000, 0.0020386500000000 ] - [ 0.0006050600000000, -0.0000127500000000, 0.0020386500000000 ] - [ 0.0012924400000000, 0.0000000000000000, 0.0055444000000000 ] - [ -0.0005958000000000, 0.0000000000000000, 0.0024722000000000 ] - [ -0.0128537300000000, 0.0000000000000000, -0.0023941900000000 ] - [ -0.0033821600000000, 0.0000000000000000, 0.0005791500000000 ] - [ -0.0390551400000000, 0.0000000000000000, 0.0170275900000000 ] - [ -0.0127663800000000, 0.0000000000000000, 0.0016781400000000 ] - [ -0.0005941900000000, 0.0002386500000000, 0.0013426000000000 ] - [ -0.0005941900000000, -0.0002386500000000, 0.0013426000000000 ] - [ -0.0004515400000000, 0.0000000000000000, -0.0014616800000000 ] - [ -0.0001859300000000, 0.0000000000000000, -0.0003536100000000 ] - [ 0.0029122800000000, 0.0088868300000000, -0.0057826100000000 ] - [ 0.0029122800000000, -0.0088868300000000, -0.0057826100000000 ] - [ 0.0033722600000000, 0.0074519000000000, 0.0028715800000000 ] - [ 0.0033722600000000, -0.0074519000000000, 0.0028715800000000 ] - [ -0.0029435300000000, 0.0000000000000000, 0.0006683900000000 ] - [ -0.0028407400000000, 0.0000000000000000, 0.0006915800000000 ] - [ 0.0085598700000000, 0.0000000000000000, -0.0007130300000000 ] - [ 0.0046974200000000, 0.0000000000000000, -0.0013353200000000 ] - [ 0.0017911200000000, 0.0001137600000000, 0.0021319200000000 ] - [ 0.0017911200000000, -0.0001137600000000, 0.0021319200000000 ] - [ 0.0040097000000000, 0.0000000000000000, -0.0131764600000000 ] - [ 0.0004647600000000, 0.0000000000000000, 0.0001634900000000 ] - [ 0.0039285300000000, 0.0001035200000000, 0.0008909500000000 ] - [ 0.0039285300000000, -0.0001035200000000, 0.0008909500000000 ] - [ 0.0016109000000000, 0.0000000000000000, -0.0002629100000000 ] - [ 0.0010789600000000, 0.0000000000000000, -0.0001929600000000 ] - [ 0.0119287900000000, 0.0000000000000000, -0.0068358000000000 ] - [ 0.0042351800000000, 0.0000000000000000, -0.0011440800000000 ] - [ 0.0005830100000000, 0.0000000000000000, -0.0026778000000000 ] - [ 0.0005724400000000, 0.0000000000000000, -0.0026143000000000 ] - [ 0.0004098100000000, 0.0002828300000000, -0.0046255600000000 ] - [ 0.0004098100000000, -0.0002828300000000, -0.0046255600000000 ] - [ -0.0028201800000000, 0.0025142900000000, -0.0029092600000000 ] - [ -0.0028201800000000, -0.0025142900000000, -0.0029092600000000 ] - [ -0.0000195700000000, 0.0000054600000000, 0.0002262100000000 ] - [ -0.0000195700000000, -0.0000054600000000, 0.0002262100000000 ]- atom: 23 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0173851200000000, 0.0000000000000000, -0.0249871200000000 ] - [ 0.0054361200000000, 0.0000000000000000, -0.0073306200000000 ] - [ -0.0038068500000000, 0.0000000000000000, -0.0531400100000000 ] - [ -0.0048576100000000, 0.0000000000000000, -0.0017628400000000 ] - [ 0.0031927700000000, -0.0014979700000000, 0.0004163600000000 ] - [ 0.0031927700000000, 0.0014979700000000, 0.0004163600000000 ] - [ 0.0027094600000000, 0.0001159500000000, -0.0001333200000000 ] - [ 0.0027094600000000, -0.0001159500000000, -0.0001333200000000 ] - [ -0.0037501800000000, 0.0000211900000000, 0.0000438400000000 ] - [ -0.0037501800000000, -0.0000211900000000, 0.0000438400000000 ] - [ 0.0426567100000000, 0.0000000000000000, -0.0029563600000000 ] - [ -0.0070088300000000, 0.0000000000000000, 0.0019405100000000 ] - [ 0.0051507200000000, 0.0000000000000000, -0.0103315200000000 ] - [ 0.0027653200000000, 0.0000000000000000, -0.0078162200000000 ] - [ -0.0147091400000000, 0.0000000000000000, 0.0081287600000000 ] - [ -0.0078030100000000, 0.0000000000000000, 0.0035505500000000 ] - [ -0.0136493900000000, -0.0265404800000000, -0.0178884900000000 ] - [ -0.0136493900000000, 0.0265404800000000, -0.0178884900000000 ] - [ 0.0330899700000000, 0.0000000000000000, 0.0168927100000000 ] - [ -0.0012019500000000, 0.0000000000000000, 0.0061935900000000 ] - [ 0.0031598900000000, 0.0000772500000000, 0.0022769600000000 ] - [ 0.0031598900000000, -0.0000772500000000, 0.0022769600000000 ] - [ -0.0904638900000000, 0.0000000000000000, 0.4162381900000000 ] - [ -0.0110106200000000, 0.0000000000000000, 0.0175072600000000 ] - [ -0.0062356900000000, 0.0021818800000000, 0.0026678200000000 ] - [ -0.0062356900000000, -0.0021818800000000, 0.0026678200000000 ] - [ -0.0010676800000000, 0.0006309100000000, -0.0099771800000000 ] - [ -0.0010676800000000, -0.0006309100000000, -0.0099771800000000 ] - [ -0.0003886600000000, 0.0000000000000000, -0.0038439800000000 ] - [ -0.0005892500000000, 0.0000000000000000, -0.0029813200000000 ] - [ 0.0012235900000000, 0.0018995800000000, 0.0019706500000000 ] - [ 0.0012235900000000, -0.0018995800000000, 0.0019706500000000 ] - [ 0.0173822400000000, 0.0000000000000000, -0.0218756100000000 ] - [ 0.0087314400000000, 0.0000000000000000, -0.0084403400000000 ] - [ 0.0020924300000000, 0.0000328600000000, 0.0023564000000000 ] - [ 0.0020924300000000, -0.0000328600000000, 0.0023564000000000 ] - [ -0.0004807900000000, 0.0000000000000000, 0.0115348100000000 ] - [ -0.0001724500000000, 0.0000000000000000, 0.0064030700000000 ] - [ 0.0022908800000000, 0.0000000000000000, 0.0037181600000000 ] - [ 0.0035766900000000, 0.0000000000000000, 0.0030941500000000 ] - [ -0.0010258500000000, 0.0000000000000000, 0.0187236800000000 ] - [ -0.0001259800000000, 0.0000000000000000, 0.0103774000000000 ] - [ -0.0001689800000000, 0.0003781200000000, 0.0022149900000000 ] - [ -0.0001689800000000, -0.0003781200000000, 0.0022149900000000 ] - [ 0.0019042700000000, -0.0000364600000000, 0.0010212300000000 ] - [ 0.0019042700000000, 0.0000364600000000, 0.0010212300000000 ] - [ -0.0029761600000000, 0.0001218600000000, 0.0001145200000000 ] - [ -0.0029761600000000, -0.0001218600000000, 0.0001145200000000 ] - [ -0.0082326200000000, 0.0000000000000000, 0.0031374400000000 ] - [ -0.0042675600000000, 0.0000000000000000, 0.0012734200000000 ] - [ 0.0004269600000000, 0.0013820600000000, 0.0092116500000000 ] - [ 0.0004269600000000, -0.0013820600000000, 0.0092116500000000 ] - [ 0.0033083900000000, 0.0000000000000000, -0.0001866400000000 ] - [ 0.0033045400000000, 0.0000000000000000, -0.0001832000000000 ] - [ -0.0069085900000000, 0.0000000000000000, 0.0020579800000000 ] - [ -0.0021311400000000, 0.0000000000000000, 0.0010832800000000 ] - [ -0.0050362900000000, 0.0048352200000000, 0.0035627900000000 ] - [ -0.0050362900000000, -0.0048352200000000, 0.0035627900000000 ] - [ 0.0004144800000000, 0.0069852800000000, -0.0014471100000000 ] - [ 0.0004144800000000, -0.0069852800000000, -0.0014471100000000 ] - [ 0.0053260100000000, 0.0000000000000000, 0.0163364300000000 ] - [ 0.0004998300000000, 0.0000000000000000, -0.0004340800000000 ] - [ -0.0002715500000000, 0.0001040400000000, -0.0016739300000000 ] - [ -0.0002715500000000, -0.0001040400000000, -0.0016739300000000 ] - [ 0.0081415600000000, 0.0000000000000000, -0.0202774100000000 ] - [ -0.0009588300000000, 0.0000000000000000, -0.0004944700000000 ] - [ 0.0102267500000000, 0.0002324300000000, -0.0011634300000000 ] - [ 0.0102267500000000, -0.0002324300000000, -0.0011634300000000 ] - [ -0.0004428400000000, -0.0000130200000000, -0.0003696900000000 ] - [ -0.0004428400000000, 0.0000130200000000, -0.0003696900000000 ] - [ 0.0040309300000000, -0.0266189700000000, -0.0328999300000000 ] - [ 0.0040309300000000, 0.0266189700000000, -0.0328999300000000 ] - [ -0.0000659400000000, 0.0000000000000000, -0.0186416800000000 ] - [ 0.0001773100000000, 0.0000000000000000, -0.0083109500000000 ] - [ -0.0040740300000000, 0.0000000000000000, -0.0013185000000000 ] - [ -0.0044294000000000, 0.0000000000000000, -0.0011789200000000 ] - [ -0.0242619800000000, 0.0000000000000000, -0.2741812100000000 ] - [ 0.0003944600000000, 0.0000000000000000, -0.0106569700000000 ] - [ 0.0002872300000000, -0.0000803600000000, -0.0004850800000000 ] - [ 0.0002872300000000, 0.0000803600000000, -0.0004850800000000 ] - [ 0.0057661500000000, -0.0004019700000000, 0.0007873800000000 ] - [ 0.0057661500000000, 0.0004019700000000, 0.0007873800000000 ] - [ 0.0006485800000000, -0.0000121500000000, -0.0003309100000000 ] - [ 0.0006485800000000, 0.0000121500000000, -0.0003309100000000 ] - [ -0.0000473000000000, 0.0000000000000000, -0.0036864100000000 ] - [ 0.0018324600000000, 0.0000000000000000, -0.0006405200000000 ] - [ 0.0169081900000000, 0.0000000000000000, 0.0026588600000000 ] - [ 0.0075052100000000, 0.0000000000000000, -0.0003218700000000 ] - [ 0.0416604400000000, 0.0000000000000000, -0.0168537000000000 ] - [ 0.0131605000000000, 0.0000000000000000, -0.0017259100000000 ] - [ -0.0007383500000000, -0.0002362300000000, -0.0012228200000000 ] - [ -0.0007383500000000, 0.0002362300000000, -0.0012228200000000 ] - [ 0.0003140400000000, 0.0000000000000000, 0.0013230000000000 ] - [ 0.0000458100000000, 0.0000000000000000, 0.0002215100000000 ] - [ 0.0035947100000000, -0.0088370000000000, 0.0054981800000000 ] - [ 0.0035947100000000, 0.0088370000000000, 0.0054981800000000 ] - [ -0.0040806300000000, -0.0073694700000000, -0.0025798900000000 ] - [ -0.0040806300000000, 0.0073694700000000, -0.0025798900000000 ] - [ -0.0031642500000000, 0.0000000000000000, 0.0004717600000000 ] - [ -0.0032679900000000, 0.0000000000000000, 0.0004480900000000 ] - [ -0.0005703800000000, 0.0000000000000000, -0.0020648700000000 ] - [ 0.0032112600000000, 0.0000000000000000, -0.0014507500000000 ] - [ 0.0012603200000000, -0.0001135300000000, 0.0023895200000000 ] - [ 0.0012603200000000, 0.0001135300000000, 0.0023895200000000 ] - [ -0.0035969700000000, 0.0000000000000000, 0.0139656600000000 ] - [ -0.0000487800000000, 0.0000000000000000, 0.0009071800000000 ] - [ -0.0009139100000000, -0.0001014400000000, -0.0002251100000000 ] - [ -0.0009139100000000, 0.0001014400000000, -0.0002251100000000 ] - [ -0.0010809300000000, 0.0000000000000000, 0.0004158700000000 ] - [ -0.0005620700000000, 0.0000000000000000, 0.0003438200000000 ] - [ -0.0129065400000000, 0.0000000000000000, 0.0066032100000000 ] - [ -0.0052257600000000, 0.0000000000000000, 0.0008715200000000 ] - [ -0.0003945900000000, 0.0000000000000000, -0.0020147500000000 ] - [ -0.0003847000000000, 0.0000000000000000, -0.0020787600000000 ] - [ -0.0010093700000000, -0.0002806400000000, 0.0021524400000000 ] - [ -0.0010093700000000, 0.0002806400000000, 0.0021524400000000 ] - [ -0.0072377800000000, -0.0025104900000000, 0.0014352600000000 ] - [ -0.0072377800000000, 0.0025104900000000, 0.0014352600000000 ] - [ -0.0003747000000000, -0.0000053900000000, 0.0001496900000000 ] - [ -0.0003747000000000, 0.0000053900000000, 0.0001496900000000 ]- atom: 37 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0013270000000000, 0.0000000000000000, 0.0007212100000000 ] - [ 0.0025519200000000, 0.0000000000000000, -0.0001319900000000 ] - [ 0.0080004700000000, 0.0000000000000000, -0.0067969400000000 ] - [ -0.0015031700000000, 0.0000000000000000, 0.0002206400000000 ] - [ -0.0008088600000000, 0.0006365200000000, -0.0000270700000000 ] - [ -0.0008088600000000, -0.0006365200000000, -0.0000270700000000 ] - [ 0.0009784700000000, 0.0003780900000000, -0.0016492000000000 ] - [ 0.0009784700000000, -0.0003780900000000, -0.0016492000000000 ] - [ -0.0044924000000000, 0.0000061300000000, -0.0007122400000000 ] - [ -0.0044924000000000, -0.0000061300000000, -0.0007122400000000 ] - [ -0.0012713900000000, 0.0000000000000000, -0.0018720800000000 ] - [ -0.0015551700000000, 0.0000000000000000, -0.0006930700000000 ] - [ 0.0202447100000000, 0.0000000000000000, 0.0259403500000000 ] - [ 0.0026576800000000, 0.0000000000000000, -0.0006426800000000 ] - [ -0.0075275400000000, 0.0000000000000000, 0.0025858000000000 ] - [ -0.0026731900000000, 0.0000000000000000, 0.0004379100000000 ] - [ -0.0022804500000000, -0.0002117800000000, -0.0019776000000000 ] - [ -0.0022804500000000, 0.0002117800000000, -0.0019776000000000 ] - [ -0.0017850600000000, 0.0000000000000000, 0.0071162000000000 ] - [ -0.0029907000000000, 0.0000000000000000, 0.0032687200000000 ] - [ 0.0028521500000000, 0.0002409900000000, -0.0001282800000000 ] - [ 0.0028521500000000, -0.0002409900000000, -0.0001282800000000 ] - [ -0.0003589700000000, 0.0000000000000000, 0.0034373600000000 ] - [ -0.0005184600000000, 0.0000000000000000, 0.0029745900000000 ] - [ -0.0016217300000000, -0.0000494000000000, -0.0022203700000000 ] - [ -0.0016217300000000, 0.0000494000000000, -0.0022203700000000 ] - [ -0.0046493500000000, -0.0002661300000000, -0.0014141000000000 ] - [ -0.0046493500000000, 0.0002661300000000, -0.0014141000000000 ] - [ -0.0089135300000000, 0.0000000000000000, -0.0016096500000000 ] - [ -0.0013611100000000, 0.0000000000000000, -0.0023969100000000 ] - [ -0.0050329300000000, -0.0000734500000000, 0.0009070000000000 ] - [ -0.0050329300000000, 0.0000734500000000, 0.0009070000000000 ] - [ -0.0025046800000000, 0.0000000000000000, -0.0022619500000000 ] - [ 0.0035157300000000, 0.0000000000000000, -0.0010712500000000 ] - [ -0.0016285300000000, 0.0004863800000000, 0.0018044700000000 ] - [ -0.0016285300000000, -0.0004863800000000, 0.0018044700000000 ] - [ -0.0370651000000000, 0.0000000000000000, -0.0240822500000000 ] - [ -0.0010018700000000, 0.0000000000000000, -0.0002690200000000 ] - [ 0.0057665800000000, 0.0000000000000000, 0.0016409900000000 ] - [ 0.0052844100000000, 0.0000000000000000, 0.0015629100000000 ] - [ 0.0016105500000000, 0.0000000000000000, 0.0000678900000000 ] - [ 0.0007642300000000, 0.0000000000000000, 0.0006380100000000 ] - [ -0.0005715400000000, -0.0012484200000000, 0.0011083700000000 ] - [ -0.0005715400000000, 0.0012484200000000, 0.0011083700000000 ] - [ 0.0030122900000000, 0.0000123700000000, 0.0001828300000000 ] - [ 0.0030122900000000, -0.0000123700000000, 0.0001828300000000 ] - [ 0.0000372300000000, -0.0001550400000000, 0.0001651500000000 ] - [ 0.0000372300000000, 0.0001550400000000, 0.0001651500000000 ] - [ 0.0013969800000000, 0.0000000000000000, -0.0104103700000000 ] - [ -0.0019455700000000, 0.0000000000000000, -0.0005038400000000 ] - [ 0.0001396100000000, 0.0000549800000000, 0.0000714700000000 ] - [ 0.0001396100000000, -0.0000549800000000, 0.0000714700000000 ] - [ 0.0034595900000000, 0.0000000000000000, -0.0000010900000000 ] - [ 0.0034581400000000, 0.0000000000000000, -0.0000049200000000 ] - [ -0.0001501900000000, 0.0000000000000000, 0.0016875000000000 ] - [ -0.0008343400000000, 0.0000000000000000, -0.0000230700000000 ] - [ -0.0024223200000000, 0.0007837800000000, 0.0002943700000000 ] - [ -0.0024223200000000, -0.0007837800000000, 0.0002943700000000 ] - [ 0.0033658700000000, 0.0002268400000000, -0.0016776600000000 ] - [ 0.0033658700000000, -0.0002268400000000, -0.0016776600000000 ] - [ 0.0020398800000000, 0.0000000000000000, 0.0021181700000000 ] - [ 0.0016680900000000, 0.0000000000000000, 0.0021195500000000 ] - [ 0.0001705200000000, -0.0001147100000000, 0.0004981500000000 ] - [ 0.0001705200000000, 0.0001147100000000, 0.0004981500000000 ] - [ 0.0010324300000000, 0.0000000000000000, -0.0006850500000000 ] - [ 0.0008360700000000, 0.0000000000000000, -0.0001205800000000 ] - [ 0.0010917100000000, 0.0000201100000000, 0.0000527200000000 ] - [ 0.0010917100000000, -0.0000201100000000, 0.0000527200000000 ] - [ 0.0002152600000000, -0.0000103100000000, -0.0000872500000000 ] - [ 0.0002152600000000, 0.0000103100000000, -0.0000872500000000 ] - [ 0.0000746600000000, 0.0000452700000000, -0.0025077800000000 ] - [ 0.0000746600000000, -0.0000452700000000, -0.0025077800000000 ] - [ -0.0001536500000000, 0.0000000000000000, -0.0051887500000000 ] - [ -0.0003756100000000, 0.0000000000000000, -0.0023990500000000 ] - [ -0.0045150300000000, 0.0000000000000000, -0.0008541100000000 ] - [ -0.0049892800000000, 0.0000000000000000, -0.0007761000000000 ] - [ 0.0009991000000000, 0.0000000000000000, -0.0008840500000000 ] - [ -0.0003281000000000, 0.0000000000000000, -0.0000154500000000 ] - [ 0.0000379600000000, 0.0000027800000000, 0.0007822300000000 ] - [ 0.0000379600000000, -0.0000027800000000, 0.0007822300000000 ] - [ 0.0052414200000000, -0.0008336900000000, 0.0011652900000000 ] - [ 0.0052414200000000, 0.0008336900000000, 0.0011652900000000 ] - [ 0.0008047500000000, -0.0000808300000000, 0.0008277400000000 ] - [ 0.0008047500000000, 0.0000808300000000, 0.0008277400000000 ] - [ 0.0008446400000000, 0.0000000000000000, 0.0011918400000000 ] - [ 0.0008207600000000, 0.0000000000000000, 0.0010713800000000 ] - [ 0.0077129900000000, 0.0000000000000000, -0.0062315100000000 ] - [ 0.0009679700000000, 0.0000000000000000, -0.0001085200000000 ] - [ -0.0005825400000000, 0.0000000000000000, 0.0000419700000000 ] - [ 0.0000475600000000, 0.0000000000000000, -0.0000021400000000 ] - [ 0.0002998800000000, -0.0000108000000000, 0.0003871300000000 ] - [ 0.0002998800000000, 0.0000108000000000, 0.0003871300000000 ] - [ 0.0006799700000000, 0.0000000000000000, -0.0012897000000000 ] - [ -0.0000487000000000, 0.0000000000000000, -0.0004370700000000 ] - [ 0.0004366400000000, -0.0002072200000000, -0.0004297800000000 ] - [ 0.0004366400000000, 0.0002072200000000, -0.0004297800000000 ] - [ -0.0000122800000000, 0.0001557500000000, 0.0003633500000000 ] - [ -0.0000122800000000, -0.0001557500000000, 0.0003633500000000 ] - [ -0.0018784000000000, 0.0000000000000000, 0.0006270300000000 ] - [ -0.0027113000000000, 0.0000000000000000, 0.0006352700000000 ] - [ 0.0043422000000000, 0.0000000000000000, -0.0012137900000000 ] - [ 0.0042191300000000, 0.0000000000000000, -0.0012779500000000 ] - [ 0.0021060300000000, -0.0010138500000000, 0.0026273000000000 ] - [ 0.0021060300000000, 0.0010138500000000, 0.0026273000000000 ] - [ 0.0007538700000000, 0.0000000000000000, 0.0032664700000000 ] - [ 0.0002549700000000, 0.0000000000000000, 0.0013799500000000 ] - [ 0.0024640600000000, -0.0000573300000000, 0.0006810600000000 ] - [ 0.0024640600000000, 0.0000573300000000, 0.0006810600000000 ] - [ 0.0097637800000000, 0.0000000000000000, 0.0087398000000000 ] - [ -0.0004844700000000, 0.0000000000000000, 0.0001358500000000 ] - [ 0.0056459000000000, 0.0000000000000000, 0.0062797500000000 ] - [ -0.0012875900000000, 0.0000000000000000, 0.0000039100000000 ] - [ 0.0006094400000000, 0.0000000000000000, -0.0013804800000000 ] - [ 0.0002111100000000, 0.0000000000000000, -0.0021334900000000 ] - [ -0.0001467600000000, 0.0000331500000000, -0.0004505300000000 ] - [ -0.0001467600000000, -0.0000331500000000, -0.0004505300000000 ] - [ -0.0043780500000000, 0.0010183900000000, -0.0005016200000000 ] - [ -0.0043780500000000, -0.0010183900000000, -0.0005016200000000 ] - [ -0.0000428600000000, -0.0000145100000000, 0.0007937600000000 ] - [ -0.0000428600000000, 0.0000145100000000, 0.0007937600000000 ]- atom: 37 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0057123500000000, 0.0000000000000000, -0.0030706000000000 ] - [ 0.0018426900000000, 0.0000000000000000, -0.0022238400000000 ] - [ -0.0149630500000000, 0.0000000000000000, 0.0062532500000000 ] - [ -0.0055058900000000, 0.0000000000000000, -0.0003250800000000 ] - [ -0.0018943300000000, -0.0005930700000000, -0.0000615100000000 ] - [ -0.0018943300000000, 0.0005930700000000, -0.0000615100000000 ] - [ 0.0034093700000000, -0.0003807100000000, -0.0007225300000000 ] - [ 0.0034093700000000, 0.0003807100000000, -0.0007225300000000 ] - [ -0.0025324400000000, -0.0000049000000000, 0.0005956200000000 ] - [ -0.0025324400000000, 0.0000049000000000, 0.0005956200000000 ] - [ -0.0013976700000000, 0.0000000000000000, 0.0017786100000000 ] - [ -0.0011290000000000, 0.0000000000000000, 0.0006193600000000 ] - [ -0.0208919800000000, 0.0000000000000000, -0.0278819700000000 ] - [ -0.0036939000000000, 0.0000000000000000, -0.0030189200000000 ] - [ 0.0010016900000000, 0.0000000000000000, -0.0042066900000000 ] - [ -0.0039138100000000, 0.0000000000000000, -0.0020379600000000 ] - [ -0.0000974600000000, 0.0002133700000000, -0.0024229700000000 ] - [ -0.0000974600000000, -0.0002133700000000, -0.0024229700000000 ] - [ -0.0059836000000000, 0.0000000000000000, -0.0033815000000000 ] - [ -0.0048175500000000, 0.0000000000000000, 0.0004682600000000 ] - [ 0.0043597900000000, -0.0002439000000000, -0.0004595500000000 ] - [ 0.0043597900000000, 0.0002439000000000, -0.0004595500000000 ] - [ -0.0013945700000000, 0.0000000000000000, 0.0019987400000000 ] - [ -0.0012492000000000, 0.0000000000000000, 0.0024287500000000 ] - [ 0.0005805800000000, 0.0000478500000000, -0.0014517500000000 ] - [ 0.0005805800000000, -0.0000478500000000, -0.0014517500000000 ] - [ -0.0019500400000000, 0.0002618800000000, -0.0001793600000000 ] - [ -0.0019500400000000, -0.0002618800000000, -0.0001793600000000 ] - [ 0.0065567700000000, 0.0000000000000000, -0.0028318300000000 ] - [ -0.0010248200000000, 0.0000000000000000, -0.0020083000000000 ] - [ -0.0027935100000000, 0.0000703500000000, 0.0028250700000000 ] - [ -0.0027935100000000, -0.0000703500000000, 0.0028250700000000 ] - [ 0.0096239700000000, 0.0000000000000000, 0.0017019600000000 ] - [ 0.0036969100000000, 0.0000000000000000, 0.0004989400000000 ] - [ -0.0001601400000000, -0.0004899100000000, 0.0035988500000000 ] - [ -0.0001601400000000, 0.0004899100000000, 0.0035988500000000 ] - [ 0.0363498500000000, 0.0000000000000000, 0.0235304900000000 ] - [ 0.0007685700000000, 0.0000000000000000, 0.0010218200000000 ] - [ 0.0041931300000000, 0.0000000000000000, 0.0012663800000000 ] - [ 0.0046697900000000, 0.0000000000000000, 0.0013429100000000 ] - [ -0.0003691400000000, 0.0000000000000000, 0.0015805000000000 ] - [ 0.0004853700000000, 0.0000000000000000, 0.0010630600000000 ] - [ 0.0018249400000000, 0.0011639200000000, 0.0007259300000000 ] - [ 0.0018249400000000, -0.0011639200000000, 0.0007259300000000 ] - [ 0.0011339100000000, -0.0000121800000000, 0.0000736000000000 ] - [ 0.0011339100000000, 0.0000121800000000, 0.0000736000000000 ] - [ 0.0002429600000000, 0.0001537700000000, -0.0001983100000000 ] - [ 0.0002429600000000, -0.0001537700000000, -0.0001983100000000 ] - [ -0.0027263400000000, 0.0000000000000000, 0.0104325000000000 ] - [ 0.0005663200000000, 0.0000000000000000, 0.0005991700000000 ] - [ -0.0002823600000000, -0.0000547700000000, -0.0002164100000000 ] - [ -0.0002823600000000, 0.0000547700000000, -0.0002164100000000 ] - [ 0.0030520100000000, 0.0000000000000000, -0.0002991200000000 ] - [ 0.0030539400000000, 0.0000000000000000, -0.0002959700000000 ] - [ -0.0006106300000000, 0.0000000000000000, -0.0013045300000000 ] - [ 0.0000848500000000, 0.0000000000000000, 0.0002884500000000 ] - [ -0.0036940000000000, -0.0007922600000000, 0.0008424400000000 ] - [ -0.0036940000000000, 0.0007922600000000, 0.0008424400000000 ] - [ 0.0045226200000000, -0.0002269700000000, -0.0011077500000000 ] - [ 0.0045226200000000, 0.0002269700000000, -0.0011077500000000 ] - [ 0.0010057400000000, 0.0000000000000000, 0.0023926900000000 ] - [ 0.0013821100000000, 0.0000000000000000, 0.0023989100000000 ] - [ 0.0002458800000000, 0.0001096200000000, 0.0006384400000000 ] - [ 0.0002458800000000, -0.0001096200000000, 0.0006384400000000 ] - [ 0.0019391900000000, 0.0000000000000000, 0.0013321500000000 ] - [ 0.0021267200000000, 0.0000000000000000, 0.0007678800000000 ] - [ -0.0005920400000000, -0.0000201500000000, 0.0000979000000000 ] - [ -0.0005920400000000, 0.0000201500000000, 0.0000979000000000 ] - [ -0.0011979000000000, 0.0000106400000000, -0.0001737000000000 ] - [ -0.0011979000000000, -0.0000106400000000, -0.0001737000000000 ] - [ 0.0001046300000000, -0.0000551600000000, -0.0021938800000000 ] - [ 0.0001046300000000, 0.0000551600000000, -0.0021938800000000 ] - [ -0.0004591900000000, 0.0000000000000000, 0.0027940200000000 ] - [ -0.0002321800000000, 0.0000000000000000, -0.0000222300000000 ] - [ -0.0055598200000000, 0.0000000000000000, -0.0005911800000000 ] - [ -0.0050788400000000, 0.0000000000000000, -0.0006720100000000 ] - [ -0.0013981100000000, 0.0000000000000000, 0.0011409900000000 ] - [ -0.0000709700000000, 0.0000000000000000, 0.0003655700000000 ] - [ -0.0002678300000000, -0.0000030400000000, -0.0000199500000000 ] - [ -0.0002678300000000, 0.0000030400000000, -0.0000199500000000 ] - [ 0.0047051700000000, 0.0008431200000000, 0.0017425100000000 ] - [ 0.0047051700000000, -0.0008431200000000, 0.0017425100000000 ] - [ 0.0004431200000000, 0.0000817900000000, 0.0008746200000000 ] - [ 0.0004431200000000, -0.0000817900000000, 0.0008746200000000 ] - [ 0.0004023600000000, 0.0000000000000000, 0.0006355000000000 ] - [ 0.0004260900000000, 0.0000000000000000, 0.0007475900000000 ] - [ -0.0037226800000000, 0.0000000000000000, 0.0066222900000000 ] - [ 0.0031824500000000, 0.0000000000000000, 0.0003656400000000 ] - [ 0.0008011600000000, 0.0000000000000000, -0.0000761600000000 ] - [ 0.0002171700000000, 0.0000000000000000, -0.0000303700000000 ] - [ -0.0016512800000000, 0.0000109300000000, -0.0002832700000000 ] - [ -0.0016512800000000, -0.0000109300000000, -0.0002832700000000 ] - [ -0.0008006900000000, 0.0000000000000000, 0.0011538000000000 ] - [ -0.0000955500000000, 0.0000000000000000, 0.0002955600000000 ] - [ 0.0060796100000000, 0.0002047500000000, 0.0001033100000000 ] - [ 0.0060796100000000, -0.0002047500000000, 0.0001033100000000 ] - [ -0.0007304600000000, -0.0001422400000000, -0.0000966300000000 ] - [ -0.0007304600000000, 0.0001422400000000, -0.0000966300000000 ] - [ -0.0042434900000000, 0.0000000000000000, 0.0005174000000000 ] - [ -0.0034086300000000, 0.0000000000000000, 0.0005062700000000 ] - [ 0.0035608200000000, 0.0000000000000000, -0.0015701600000000 ] - [ 0.0036732200000000, 0.0000000000000000, -0.0015072000000000 ] - [ 0.0009395200000000, 0.0010198100000000, 0.0018910000000000 ] - [ 0.0009395200000000, -0.0010198100000000, 0.0018910000000000 ] - [ -0.0003329300000000, 0.0000000000000000, -0.0021284300000000 ] - [ 0.0001597500000000, 0.0000000000000000, -0.0002436600000000 ] - [ 0.0005116400000000, 0.0000577400000000, -0.0000269300000000 ] - [ 0.0005116400000000, -0.0000577400000000, -0.0000269300000000 ] - [ -0.0093434100000000, 0.0000000000000000, -0.0087057000000000 ] - [ 0.0010017300000000, 0.0000000000000000, 0.0000136900000000 ] - [ -0.0064798900000000, 0.0000000000000000, -0.0064227600000000 ] - [ 0.0002787600000000, 0.0000000000000000, -0.0002664800000000 ] - [ -0.0004301100000000, 0.0000000000000000, -0.0033225900000000 ] - [ -0.0000288900000000, 0.0000000000000000, -0.0025643100000000 ] - [ -0.0004583600000000, -0.0000329800000000, -0.0019759200000000 ] - [ -0.0004583600000000, 0.0000329800000000, -0.0019759200000000 ] - [ -0.0056779200000000, -0.0010054000000000, -0.0009480400000000 ] - [ -0.0056779200000000, 0.0010054000000000, -0.0009480400000000 ] - [ -0.0003531500000000, 0.0000145400000000, -0.0004276200000000 ] - [ -0.0003531500000000, -0.0000145400000000, -0.0004276200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021954800000000, 0.0005982500000000, -0.0011740500000000 ] - [ 0.0021910200000000, -0.0003300100000000, -0.0011834800000000 ] - [ -0.0035053600000000, 0.0107951800000000, -0.0002577800000000 ] - [ -0.0035150900000000, -0.0104410000000000, -0.0000488100000000 ] - [ -0.0014513100000000, 0.0002120900000000, 0.0015394200000000 ] - [ -0.0012419900000000, 0.0001770100000000, -0.0016027100000000 ] - [ 0.0021970000000000, -0.0000013500000000, -0.0011500900000000 ] - [ 0.0021889600000000, -0.0000040900000000, -0.0012141200000000 ] - [ -0.0034714800000000, 0.0000019900000000, -0.0000360500000000 ] - [ -0.0035611800000000, -0.0000023700000000, -0.0000806400000000 ] - [ -0.0013390600000000, 0.0000109700000000, -0.0000335600000000 ] - [ -0.0013483700000000, -0.0000113900000000, -0.0000403100000000 ] - [ -0.0004696900000000, 0.0278101900000000, -0.0008862000000000 ] - [ -0.0005178800000000, -0.0063677100000000, -0.0018241500000000 ] - [ -0.0032849100000000, 0.0003030800000000, -0.0007975900000000 ] - [ -0.0032738900000000, -0.0002264400000000, -0.0007989100000000 ] - [ -0.0012405100000000, 0.0000053400000000, -0.0022168200000000 ] - [ -0.0011304100000000, -0.0000008000000000, -0.0021856300000000 ] - [ -0.0038968800000000, 0.0002031900000000, 0.0018600900000000 ] - [ -0.0039064100000000, -0.0001448900000000, 0.0018677000000000 ] - [ 0.0036262800000000, 0.0000073000000000, -0.0000244000000000 ] - [ 0.0035832200000000, 0.0000042200000000, -0.0005479900000000 ] - [ -0.0008837300000000, 0.0002357900000000, 0.0027104000000000 ] - [ -0.0008944100000000, -0.0000246500000000, 0.0026827200000000 ] - [ -0.0005264500000000, -0.0000014400000000, -0.0018236600000000 ] - [ -0.0005223300000000, -0.0000004600000000, -0.0018382500000000 ] - [ -0.0033088900000000, 0.0000004500000000, -0.0008029300000000 ] - [ -0.0032655100000000, -0.0000010300000000, -0.0007926400000000 ] - [ -0.0012025200000000, 0.0002802200000000, -0.0021991300000000 ] - [ -0.0011802500000000, -0.0002007800000000, -0.0021983700000000 ] - [ -0.0039002500000000, 0.0000000500000000, 0.0018649700000000 ] - [ -0.0039219500000000, 0.0000022600000000, 0.0018613900000000 ] - [ 0.0036027300000000, 0.0003065000000000, -0.0002814600000000 ] - [ 0.0035917500000000, -0.0002690100000000, -0.0002880600000000 ] - [ -0.0007364100000000, 0.0000085600000000, 0.0026946000000000 ] - [ -0.0010508700000000, 0.0000053600000000, 0.0026981400000000 ] - [ -0.0001845600000000, -0.0377037800000000, -0.0004148000000000 ] - [ -0.0001225300000000, 0.0021617300000000, 0.0003496700000000 ] - [ 0.0049773100000000, -0.0000220800000000, 0.0014532300000000 ] - [ 0.0049798600000000, 0.0000219500000000, 0.0014533400000000 ] - [ 0.0006273800000000, -0.0002595100000000, 0.0008305200000000 ] - [ 0.0006280700000000, 0.0001573400000000, 0.0008507700000000 ] - [ 0.0000344500000000, -0.0004786800000000, -0.0073920100000000 ] - [ 0.0012007400000000, -0.0004208500000000, 0.0091251800000000 ] - [ 0.0020664800000000, 0.0000007000000000, 0.0001271800000000 ] - [ 0.0020667500000000, 0.0000005000000000, 0.0001310600000000 ] - [ -0.0001472800000000, -0.0000477200000000, -0.0000317100000000 ] - [ 0.0004117400000000, -0.0000450300000000, 0.0000007900000000 ] - [ -0.0006884800000000, -0.0019345700000000, 0.0000585100000000 ] - [ -0.0006803800000000, 0.0003957000000000, 0.0000468700000000 ] - [ -0.0000655700000000, -0.0000008700000000, -0.0000596300000000 ] - [ -0.0000722300000000, -0.0000007100000000, -0.0000835200000000 ] - [ 0.0032480600000000, -0.0000192400000000, -0.0001498400000000 ] - [ 0.0032482400000000, 0.0000214100000000, -0.0001499600000000 ] - [ -0.0003730700000000, -0.0004168200000000, 0.0001647800000000 ] - [ -0.0003719600000000, 0.0006794200000000, 0.0001292400000000 ] - [ -0.0029532700000000, -0.0000183100000000, 0.0005399300000000 ] - [ -0.0031629800000000, 0.0000036200000000, 0.0005990700000000 ] - [ 0.0040913200000000, -0.0001556800000000, -0.0013987900000000 ] - [ 0.0038064300000000, -0.0001475000000000, -0.0013904200000000 ] - [ 0.0015197600000000, -0.0000410800000000, 0.0022572800000000 ] - [ 0.0015245800000000, 0.0000365700000000, 0.0022618100000000 ] - [ 0.0003566300000000, -0.0000261100000000, -0.0001159300000000 ] - [ 0.0000620300000000, -0.0000221500000000, 0.0012343300000000 ] - [ 0.0014844200000000, 0.0000120100000000, 0.0003268100000000 ] - [ 0.0014823900000000, 0.0000152500000000, 0.0003257100000000 ] - [ 0.0002690800000000, 0.0000009300000000, 0.0000726200000000 ] - [ 0.0002321300000000, 0.0000014800000000, 0.0000814200000000 ] - [ -0.0005628100000000, 0.0000005400000000, -0.0001524200000000 ] - [ -0.0004132300000000, 0.0000002900000000, -0.0001083600000000 ] - [ 0.0000979000000000, -0.0000172300000000, -0.0022898400000000 ] - [ 0.0000807100000000, 0.0000023600000000, -0.0024047300000000 ] - [ -0.0003016200000000, -0.0000729000000000, -0.0012097800000000 ] - [ -0.0003021800000000, 0.0000232900000000, -0.0012118800000000 ] - [ -0.0050312000000000, -0.0001096000000000, -0.0007250200000000 ] - [ -0.0050339700000000, 0.0001099900000000, -0.0007251700000000 ] - [ -0.0002006100000000, -0.0000953100000000, 0.0001411200000000 ] - [ -0.0002019100000000, 0.0007968500000000, 0.0001973000000000 ] - [ -0.0001223200000000, 0.0000003400000000, 0.0003668800000000 ] - [ -0.0001169300000000, 0.0000002200000000, 0.0003841200000000 ] - [ 0.0049580300000000, -0.0000110700000000, 0.0014737500000000 ] - [ 0.0049937600000000, -0.0000039700000000, 0.0014324900000000 ] - [ 0.0006376300000000, -0.0000007700000000, 0.0007574400000000 ] - [ 0.0006138600000000, -0.0000005700000000, 0.0009291400000000 ] - [ 0.0006209800000000, -0.0000070100000000, 0.0009138800000000 ] - [ 0.0006213100000000, 0.0000101300000000, 0.0009120400000000 ] - [ 0.0020702000000000, -0.0011662700000000, 0.0001236200000000 ] - [ 0.0020587100000000, 0.0003074000000000, 0.0001297800000000 ] - [ 0.0001169000000000, -0.0000170200000000, -0.0000146700000000 ] - [ 0.0001427700000000, 0.0000136600000000, -0.0000146500000000 ] - [ -0.0006775200000000, 0.0000025600000000, 0.0000496300000000 ] - [ -0.0006696100000000, 0.0000027300000000, 0.0000539600000000 ] - [ -0.0000661200000000, -0.0002925200000000, -0.0000749500000000 ] - [ -0.0000707400000000, 0.0000918100000000, -0.0000730300000000 ] - [ 0.0026334900000000, 0.0091700500000000, 0.0085384300000000 ] - [ 0.0038428200000000, 0.0090349800000000, -0.0086893400000000 ] - [ -0.0003728000000000, 0.0000064000000000, 0.0001337100000000 ] - [ -0.0003698200000000, -0.0000052700000000, 0.0001346800000000 ] - [ -0.0030548800000000, 0.0000287000000000, 0.0005700300000000 ] - [ -0.0030595000000000, 0.0000222000000000, 0.0005696400000000 ] - [ 0.0039514200000000, -0.0000087900000000, -0.0013939900000000 ] - [ 0.0039485800000000, 0.0000081200000000, -0.0013938700000000 ] - [ 0.0014946800000000, -0.0000374400000000, 0.0022211100000000 ] - [ 0.0015500900000000, -0.0000327700000000, 0.0022984400000000 ] - [ 0.0002089300000000, 0.0000108900000000, 0.0005476900000000 ] - [ 0.0002088200000000, 0.0000090700000000, 0.0005749000000000 ] - [ 0.0014678000000000, -0.0000042900000000, 0.0003301700000000 ] - [ 0.0015087000000000, -0.0000038600000000, 0.0003232300000000 ] - [ 0.0002889300000000, -0.0020319100000000, 0.0000819900000000 ] - [ 0.0002467700000000, 0.0003407200000000, 0.0000760800000000 ] - [ -0.0004944500000000, -0.0011068200000000, -0.0001374900000000 ] - [ -0.0004829400000000, 0.0003187500000000, -0.0001297000000000 ] - [ 0.0000904400000000, -0.0000558700000000, -0.0023466800000000 ] - [ 0.0000891900000000, 0.0000807000000000, -0.0023490900000000 ] - [ -0.0003005300000000, 0.0000000100000000, -0.0012114200000000 ] - [ -0.0003011600000000, 0.0000002400000000, -0.0012154500000000 ] - [ -0.0049745200000000, -0.0000070400000000, -0.0006933200000000 ] - [ -0.0050817100000000, -0.0000005800000000, -0.0007566200000000 ] - [ -0.0002178300000000, 0.0000038100000000, 0.0001585100000000 ] - [ -0.0001864800000000, 0.0000035600000000, 0.0002125600000000 ]- atom: 37 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0143089000000000, 0.0000000000000000, 0.0072661600000000 ] - [ 0.0060914000000000, 0.0000000000000000, 0.0024873300000000 ] - [ -0.0060746400000000, 0.0000000000000000, 0.0007867100000000 ] - [ -0.0028598800000000, 0.0000000000000000, 0.0038204900000000 ] - [ -0.0026671700000000, 0.0055074700000000, -0.0073770100000000 ] - [ -0.0026671700000000, -0.0055074700000000, -0.0073770100000000 ] - [ 0.0001713100000000, 0.0007125600000000, -0.0016065400000000 ] - [ 0.0001713100000000, -0.0007125600000000, -0.0016065400000000 ] - [ -0.0052711400000000, -0.0000016700000000, -0.0018020800000000 ] - [ -0.0052711400000000, 0.0000016700000000, -0.0018020800000000 ] - [ -0.0042063200000000, 0.0000000000000000, -0.0028195100000000 ] - [ -0.0033560500000000, 0.0000000000000000, -0.0016819500000000 ] - [ 0.0072995600000000, 0.0000000000000000, 0.2451360600000000 ] - [ 0.0008228100000000, 0.0000000000000000, 0.0104517700000000 ] - [ 0.0164271000000000, 0.0000000000000000, -0.0020188000000000 ] - [ 0.0034818400000000, 0.0000000000000000, -0.0009915100000000 ] - [ 0.0000641800000000, 0.0000452200000000, -0.0038220700000000 ] - [ 0.0000641800000000, -0.0000452200000000, -0.0038220700000000 ] - [ 0.0064417100000000, 0.0000000000000000, -0.0100839600000000 ] - [ 0.0019139900000000, 0.0000000000000000, -0.0017013400000000 ] - [ 0.0048815000000000, -0.0003613800000000, -0.0037685400000000 ] - [ 0.0048815000000000, 0.0003613800000000, -0.0037685400000000 ] - [ 0.0006588700000000, 0.0000000000000000, -0.0078555800000000 ] - [ 0.0006433400000000, 0.0000000000000000, -0.0025035700000000 ] - [ -0.0022076900000000, -0.0001199300000000, -0.0030687600000000 ] - [ -0.0022076900000000, 0.0001199300000000, -0.0030687600000000 ] - [ -0.0060856300000000, -0.0003164400000000, -0.0011640400000000 ] - [ -0.0060856300000000, 0.0003164400000000, -0.0011640400000000 ] - [ -0.0146511300000000, 0.0000000000000000, 0.0048246300000000 ] - [ -0.0047310600000000, 0.0000000000000000, 0.0012080400000000 ] - [ -0.0068341700000000, -0.0001471000000000, 0.0000577200000000 ] - [ -0.0068341700000000, 0.0001471000000000, 0.0000577200000000 ] - [ -0.0090780300000000, 0.0000000000000000, 0.0044861300000000 ] - [ -0.0013453900000000, 0.0000000000000000, 0.0022512000000000 ] - [ -0.0051821200000000, 0.0004446000000000, 0.0013119500000000 ] - [ -0.0051821200000000, -0.0004446000000000, 0.0013119500000000 ] - [ -0.0009638100000000, 0.0000000000000000, -0.3245464900000000 ] - [ -0.0002285600000000, 0.0000000000000000, -0.0123473400000000 ] - [ 0.0068306000000000, 0.0000000000000000, 0.0014226400000000 ] - [ 0.0060965500000000, 0.0000000000000000, 0.0014561900000000 ] - [ 0.0009385800000000, 0.0000000000000000, -0.0083343500000000 ] - [ 0.0006981000000000, 0.0000000000000000, -0.0038348700000000 ] - [ 0.0020714600000000, -0.0246119800000000, 0.0044564800000000 ] - [ 0.0020714600000000, 0.0246119800000000, 0.0044564800000000 ] - [ 0.0039832200000000, 0.0000235600000000, 0.0001733500000000 ] - [ 0.0039832200000000, -0.0000235600000000, 0.0001733500000000 ] - [ 0.0036408000000000, -0.0004276100000000, 0.0008210200000000 ] - [ 0.0036408000000000, 0.0004276100000000, 0.0008210200000000 ] - [ -0.0273219300000000, 0.0000000000000000, 0.0099045200000000 ] - [ -0.0060922500000000, 0.0000000000000000, -0.0000651600000000 ] - [ -0.0000631400000000, 0.0000236300000000, 0.0000077300000000 ] - [ -0.0000631400000000, -0.0000236300000000, 0.0000077300000000 ] - [ 0.0036009400000000, 0.0000000000000000, 0.0002352300000000 ] - [ 0.0035992400000000, 0.0000000000000000, 0.0002319500000000 ] - [ -0.0043249900000000, 0.0000000000000000, 0.0195215900000000 ] - [ -0.0022536000000000, 0.0000000000000000, 0.0010526900000000 ] - [ -0.0049365500000000, -0.0011612300000000, 0.0003660600000000 ] - [ -0.0049365500000000, 0.0011612300000000, 0.0003660600000000 ] - [ 0.0018823200000000, -0.0015311100000000, 0.0000426800000000 ] - [ 0.0018823200000000, 0.0015311100000000, 0.0000426800000000 ] - [ -0.0003768500000000, 0.0000000000000000, 0.0040354000000000 ] - [ 0.0006829700000000, 0.0000000000000000, 0.0031565500000000 ] - [ -0.0000592100000000, -0.0006208400000000, 0.0064065800000000 ] - [ -0.0000592100000000, 0.0006208400000000, 0.0064065800000000 ] - [ -0.0052452900000000, 0.0000000000000000, 0.0012869900000000 ] - [ -0.0027272700000000, 0.0000000000000000, 0.0005788100000000 ] - [ 0.0005866600000000, 0.0000118000000000, 0.0004582100000000 ] - [ 0.0005866600000000, -0.0000118000000000, 0.0004582100000000 ] - [ 0.0001701300000000, 0.0000366900000000, 0.0003578000000000 ] - [ 0.0001701300000000, -0.0000366900000000, 0.0003578000000000 ] - [ -0.0004323900000000, 0.0009701200000000, -0.0005894400000000 ] - [ -0.0004323900000000, -0.0009701200000000, -0.0005894400000000 ] - [ -0.0021090300000000, 0.0000000000000000, 0.0092244700000000 ] - [ -0.0011573200000000, 0.0000000000000000, 0.0029298800000000 ] - [ -0.0076698100000000, 0.0000000000000000, -0.0002170200000000 ] - [ -0.0065535800000000, 0.0000000000000000, -0.0002628200000000 ] - [ -0.0023237900000000, 0.0000000000000000, 0.0230164800000000 ] - [ -0.0003430300000000, 0.0000000000000000, 0.0054646300000000 ] - [ 0.0001519600000000, 0.0000068500000000, 0.0013565500000000 ] - [ 0.0001519600000000, -0.0000068500000000, 0.0013565500000000 ] - [ 0.0030821500000000, 0.0013774500000000, 0.0013013500000000 ] - [ 0.0030821500000000, -0.0013774500000000, 0.0013013500000000 ] - [ 0.0005988100000000, -0.0000330500000000, 0.0009848800000000 ] - [ 0.0005988100000000, 0.0000330500000000, 0.0009848800000000 ] - [ 0.0010768400000000, 0.0000000000000000, 0.0017496700000000 ] - [ 0.0010008300000000, 0.0000000000000000, 0.0015338800000000 ] - [ -0.0261447500000000, 0.0000000000000000, 0.0101833400000000 ] - [ -0.0052130100000000, 0.0000000000000000, 0.0000597700000000 ] - [ 0.0032579100000000, 0.0000000000000000, 0.0004049600000000 ] - [ 0.0018202700000000, 0.0000000000000000, 0.0003170300000000 ] - [ 0.0011504200000000, -0.0000402600000000, 0.0007320500000000 ] - [ 0.0011504200000000, 0.0000402600000000, 0.0007320500000000 ] - [ -0.0007672700000000, 0.0000000000000000, -0.0103023700000000 ] - [ -0.0002934700000000, 0.0000000000000000, -0.0042050200000000 ] - [ 0.0034891000000000, 0.0199079700000000, 0.0084794800000000 ] - [ 0.0034891000000000, -0.0199079700000000, 0.0084794800000000 ] - [ 0.0007468300000000, 0.0003202900000000, 0.0008284200000000 ] - [ 0.0007468300000000, -0.0003202900000000, 0.0008284200000000 ] - [ -0.0003397700000000, 0.0000000000000000, 0.0004272400000000 ] - [ -0.0022029000000000, 0.0000000000000000, 0.0005227100000000 ] - [ 0.0051358500000000, 0.0000000000000000, -0.0010526200000000 ] - [ 0.0048515800000000, 0.0000000000000000, -0.0011368400000000 ] - [ 0.0026578700000000, -0.0009444400000000, 0.0023241700000000 ] - [ 0.0026578700000000, 0.0009444400000000, 0.0023241700000000 ] - [ 0.0011287000000000, 0.0000000000000000, 0.0034211400000000 ] - [ 0.0006596700000000, 0.0000000000000000, 0.0018132100000000 ] - [ 0.0040808900000000, -0.0000610800000000, 0.0008241400000000 ] - [ 0.0040808900000000, 0.0000610800000000, 0.0008241400000000 ] - [ 0.0276697900000000, 0.0000000000000000, -0.0051198200000000 ] - [ 0.0048569800000000, 0.0000000000000000, -0.0008201400000000 ] - [ 0.0188793900000000, 0.0000000000000000, 0.0025807500000000 ] - [ 0.0053350400000000, 0.0000000000000000, -0.0006575800000000 ] - [ 0.0010717200000000, 0.0000000000000000, -0.0019539600000000 ] - [ 0.0007411900000000, 0.0000000000000000, -0.0024747200000000 ] - [ 0.0000598500000000, 0.0000412400000000, -0.0000461200000000 ] - [ 0.0000598500000000, -0.0000412400000000, -0.0000461200000000 ] - [ -0.0035577400000000, 0.0008760300000000, -0.0010422100000000 ] - [ -0.0035577400000000, -0.0008760300000000, -0.0010422100000000 ] - [ 0.0002937600000000, -0.0000046800000000, 0.0018647300000000 ] - [ 0.0002937600000000, 0.0000046800000000, 0.0018647300000000 ]- atom: 37 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ -0.0097943300000000, 0.0000000000000000, -0.0096223500000000 ] - [ -0.0016558200000000, 0.0000000000000000, -0.0048426700000000 ] - [ -0.0009197500000000, 0.0000000000000000, 0.0013120100000000 ] - [ -0.0041655600000000, 0.0000000000000000, -0.0038698000000000 ] - [ -0.0000085000000000, -0.0054968400000000, 0.0072583500000000 ] - [ -0.0000085000000000, 0.0054968400000000, 0.0072583500000000 ] - [ 0.0041874800000000, -0.0007023000000000, -0.0007567500000000 ] - [ 0.0041874800000000, 0.0007023000000000, -0.0007567500000000 ] - [ -0.0017707300000000, 0.0000068000000000, 0.0016731700000000 ] - [ -0.0017707300000000, -0.0000068000000000, 0.0016731700000000 ] - [ 0.0014899800000000, 0.0000000000000000, 0.0027264300000000 ] - [ 0.0006381700000000, 0.0000000000000000, 0.0015912300000000 ] - [ -0.0110678600000000, 0.0000000000000000, -0.2628983800000000 ] - [ -0.0018584500000000, 0.0000000000000000, -0.0141443500000000 ] - [ -0.0228093000000000, 0.0000000000000000, 0.0004723700000000 ] - [ -0.0100035400000000, 0.0000000000000000, -0.0005764200000000 ] - [ -0.0024196100000000, -0.0000426400000000, -0.0006070400000000 ] - [ -0.0024196100000000, 0.0000426400000000, -0.0006070400000000 ] - [ -0.0142103100000000, 0.0000000000000000, 0.0136935800000000 ] - [ -0.0096885400000000, 0.0000000000000000, 0.0053947100000000 ] - [ 0.0023423200000000, 0.0003550100000000, 0.0031937500000000 ] - [ 0.0023423200000000, -0.0003550100000000, 0.0031937500000000 ] - [ -0.0024398500000000, 0.0000000000000000, 0.0131299600000000 ] - [ -0.0024192900000000, 0.0000000000000000, 0.0078450100000000 ] - [ 0.0011375900000000, 0.0001173900000000, -0.0006096900000000 ] - [ 0.0011375900000000, -0.0001173900000000, -0.0006096900000000 ] - [ -0.0005124200000000, 0.0003120700000000, -0.0004325200000000 ] - [ -0.0005124200000000, -0.0003120700000000, -0.0004325200000000 ] - [ 0.0120085500000000, 0.0000000000000000, -0.0091510500000000 ] - [ 0.0023119100000000, 0.0000000000000000, -0.0055888500000000 ] - [ -0.0010197400000000, 0.0001418000000000, 0.0036518400000000 ] - [ -0.0010197400000000, -0.0001418000000000, 0.0036518400000000 ] - [ 0.0161517100000000, 0.0000000000000000, -0.0049455100000000 ] - [ 0.0085105300000000, 0.0000000000000000, -0.0027805500000000 ] - [ 0.0033701000000000, -0.0004317900000000, 0.0040616400000000 ] - [ 0.0033701000000000, 0.0004317900000000, 0.0040616400000000 ] - [ 0.0033753400000000, 0.0000000000000000, 0.3364939300000000 ] - [ -0.0000041400000000, 0.0000000000000000, 0.0130612500000000 ] - [ 0.0031480500000000, 0.0000000000000000, 0.0014820200000000 ] - [ 0.0038710600000000, 0.0000000000000000, 0.0014509500000000 ] - [ 0.0002758400000000, 0.0000000000000000, 0.0099056800000000 ] - [ 0.0005485700000000, 0.0000000000000000, 0.0054954200000000 ] - [ -0.0008240200000000, 0.0246781300000000, -0.0025691500000000 ] - [ -0.0008240200000000, -0.0246781300000000, -0.0025691500000000 ] - [ 0.0001697900000000, -0.0000228600000000, 0.0000865000000000 ] - [ 0.0001697900000000, 0.0000228600000000, 0.0000865000000000 ] - [ -0.0033725300000000, 0.0004232300000000, -0.0008391700000000 ] - [ -0.0033725300000000, -0.0004232300000000, -0.0008391700000000 ] - [ 0.0259807100000000, 0.0000000000000000, -0.0098118600000000 ] - [ 0.0046918500000000, 0.0000000000000000, 0.0001783500000000 ] - [ -0.0000770700000000, -0.0000234800000000, -0.0001438900000000 ] - [ -0.0000770700000000, 0.0000234800000000, -0.0001438900000000 ] - [ 0.0029059000000000, 0.0000000000000000, -0.0005313500000000 ] - [ 0.0029085500000000, 0.0000000000000000, -0.0005290000000000 ] - [ 0.0036105900000000, 0.0000000000000000, -0.0193375200000000 ] - [ 0.0014979300000000, 0.0000000000000000, -0.0007726100000000 ] - [ -0.0012059000000000, 0.0011370300000000, 0.0007745600000000 ] - [ -0.0012059000000000, -0.0011370300000000, 0.0007745600000000 ] - [ 0.0060004800000000, 0.0015325600000000, -0.0028130600000000 ] - [ 0.0060004800000000, -0.0015325600000000, -0.0028130600000000 ] - [ 0.0034038600000000, 0.0000000000000000, 0.0005036400000000 ] - [ 0.0023548400000000, 0.0000000000000000, 0.0013767200000000 ] - [ 0.0004725400000000, 0.0006193500000000, -0.0052614700000000 ] - [ 0.0004725400000000, -0.0006193500000000, -0.0052614700000000 ] - [ 0.0081772600000000, 0.0000000000000000, -0.0006181300000000 ] - [ 0.0056607100000000, 0.0000000000000000, 0.0000795100000000 ] - [ -0.0000862200000000, -0.0000113400000000, -0.0002970800000000 ] - [ -0.0000862200000000, 0.0000113400000000, -0.0002970800000000 ] - [ -0.0011528100000000, -0.0000356700000000, -0.0006174400000000 ] - [ -0.0011528100000000, 0.0000356700000000, -0.0006174400000000 ] - [ 0.0006037900000000, -0.0009617000000000, -0.0040843100000000 ] - [ 0.0006037900000000, 0.0009617000000000, -0.0040843100000000 ] - [ 0.0014957400000000, 0.0000000000000000, -0.0115614700000000 ] - [ 0.0005484100000000, 0.0000000000000000, -0.0053322000000000 ] - [ -0.0024243700000000, 0.0000000000000000, -0.0012329600000000 ] - [ -0.0035205000000000, 0.0000000000000000, -0.0011882700000000 ] - [ 0.0018729900000000, 0.0000000000000000, -0.0223594700000000 ] - [ -0.0000630600000000, 0.0000000000000000, -0.0050438800000000 ] - [ -0.0003896500000000, -0.0000064200000000, -0.0005852000000000 ] - [ -0.0003896500000000, 0.0000064200000000, -0.0005852000000000 ] - [ 0.0068599200000000, -0.0013604400000000, 0.0015962000000000 ] - [ 0.0068599200000000, 0.0013604400000000, 0.0015962000000000 ] - [ 0.0006553200000000, 0.0000324200000000, 0.0006894000000000 ] - [ 0.0006553200000000, -0.0000324200000000, 0.0006894000000000 ] - [ 0.0001693500000000, 0.0000000000000000, 0.0000839600000000 ] - [ 0.0002448400000000, 0.0000000000000000, 0.0002941000000000 ] - [ 0.0298107100000000, 0.0000000000000000, -0.0097720600000000 ] - [ 0.0092776000000000, 0.0000000000000000, 0.0001897800000000 ] - [ -0.0029633400000000, 0.0000000000000000, -0.0004293700000000 ] - [ -0.0015153600000000, 0.0000000000000000, -0.0003434900000000 ] - [ -0.0024751100000000, 0.0000401300000000, -0.0006239500000000 ] - [ -0.0024751100000000, -0.0000401300000000, -0.0006239500000000 ] - [ 0.0006445400000000, 0.0000000000000000, 0.0100110600000000 ] - [ 0.0001563400000000, 0.0000000000000000, 0.0040177300000000 ] - [ 0.0030312600000000, -0.0195205700000000, -0.0087202900000000 ] - [ 0.0030312600000000, 0.0195205700000000, -0.0087202900000000 ] - [ -0.0014781500000000, -0.0003061300000000, -0.0005537700000000 ] - [ -0.0014781500000000, 0.0003061300000000, -0.0005537700000000 ] - [ -0.0057442900000000, 0.0000000000000000, 0.0007077300000000 ] - [ -0.0039021500000000, 0.0000000000000000, 0.0006136600000000 ] - [ 0.0027788800000000, 0.0000000000000000, -0.0017317900000000 ] - [ 0.0030554400000000, 0.0000000000000000, -0.0016487300000000 ] - [ 0.0004054800000000, 0.0009223900000000, 0.0022017900000000 ] - [ 0.0004054800000000, -0.0009223900000000, 0.0022017900000000 ] - [ -0.0007034900000000, 0.0000000000000000, -0.0022925100000000 ] - [ -0.0002389200000000, 0.0000000000000000, -0.0006654500000000 ] - [ -0.0010779900000000, 0.0000596800000000, -0.0001634700000000 ] - [ -0.0010779900000000, -0.0000596800000000, -0.0001634700000000 ] - [ -0.0269581100000000, 0.0000000000000000, 0.0054535900000000 ] - [ -0.0043216200000000, 0.0000000000000000, 0.0009784700000000 ] - [ -0.0195419000000000, 0.0000000000000000, -0.0028513300000000 ] - [ -0.0062515600000000, 0.0000000000000000, 0.0003866300000000 ] - [ -0.0008802200000000, 0.0000000000000000, -0.0027199800000000 ] - [ -0.0005601300000000, 0.0000000000000000, -0.0022165400000000 ] - [ -0.0006587500000000, -0.0000403500000000, -0.0023719600000000 ] - [ -0.0006587500000000, 0.0000403500000000, -0.0023719600000000 ] - [ -0.0064887900000000, -0.0008666200000000, -0.0004156100000000 ] - [ -0.0064887900000000, 0.0008666200000000, -0.0004156100000000 ] - [ -0.0006935700000000, 0.0000047900000000, -0.0014811800000000 ] - [ -0.0006935700000000, -0.0000047900000000, -0.0014811800000000 ]- atom: 39 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0029944400000000, 0.0000000000000000, -0.0090305300000000 ] - [ 0.0031067000000000, 0.0000000000000000, -0.0031013300000000 ] - [ -0.0141362600000000, 0.0000000000000000, -0.0009627300000000 ] - [ -0.0057203600000000, 0.0000000000000000, -0.0002342800000000 ] - [ -0.0030518900000000, 0.0001190800000000, -0.0011575500000000 ] - [ -0.0030518900000000, -0.0001190800000000, -0.0011575500000000 ] - [ 0.0013178900000000, 0.0000399700000000, -0.0019552800000000 ] - [ 0.0013178900000000, -0.0000399700000000, -0.0019552800000000 ] - [ -0.0093487700000000, -0.0006150200000000, -0.0002158800000000 ] - [ -0.0093487700000000, 0.0006150200000000, -0.0002158800000000 ] - [ 0.0003133400000000, 0.0000000000000000, 0.0097960600000000 ] - [ 0.0007544400000000, 0.0000000000000000, 0.0029016500000000 ] - [ -0.0030829900000000, 0.0000000000000000, -0.0043210000000000 ] - [ -0.0020746100000000, 0.0000000000000000, -0.0034226600000000 ] - [ -0.0066473500000000, 0.0000000000000000, -0.0016455600000000 ] - [ -0.0057155400000000, 0.0000000000000000, -0.0015579500000000 ] - [ 0.0019882700000000, 0.0004381800000000, 0.0035596900000000 ] - [ 0.0019882700000000, -0.0004381800000000, 0.0035596900000000 ] - [ -0.0051589200000000, 0.0000000000000000, 0.0006161400000000 ] - [ -0.0047071200000000, 0.0000000000000000, 0.0012122300000000 ] - [ 0.0007826000000000, 0.0000915800000000, -0.0010220500000000 ] - [ 0.0007826000000000, -0.0000915800000000, -0.0010220500000000 ] - [ -0.0017605800000000, 0.0000000000000000, 0.0052699800000000 ] - [ -0.0004139300000000, 0.0000000000000000, 0.0045801100000000 ] - [ 0.0000679400000000, 0.0002558000000000, 0.0007164600000000 ] - [ 0.0000679400000000, -0.0002558000000000, 0.0007164600000000 ] - [ 0.0319167200000000, 0.0237622400000000, 0.0006090900000000 ] - [ 0.0319167200000000, -0.0237622400000000, 0.0006090900000000 ] - [ -0.0031957800000000, 0.0000000000000000, -0.0036306200000000 ] - [ -0.0029493100000000, 0.0000000000000000, -0.0034965200000000 ] - [ -0.0015269600000000, 0.0005617100000000, -0.0043118100000000 ] - [ -0.0015269600000000, -0.0005617100000000, -0.0043118100000000 ] - [ -0.0068279400000000, 0.0000000000000000, 0.0029607100000000 ] - [ 0.0117383500000000, 0.0000000000000000, 0.0002276500000000 ] - [ -0.0030380100000000, -0.0000234800000000, 0.0005346900000000 ] - [ -0.0030380100000000, 0.0000234800000000, 0.0005346900000000 ] - [ 0.0006635500000000, 0.0000000000000000, 0.0029432500000000 ] - [ 0.0001883800000000, 0.0000000000000000, 0.0018383700000000 ] - [ -0.0867789200000000, 0.0000000000000000, 0.0000882100000000 ] - [ -0.0070937000000000, 0.0000000000000000, 0.0001450000000000 ] - [ 0.0042168300000000, 0.0000000000000000, 0.0135386400000000 ] - [ -0.0001160600000000, 0.0000000000000000, 0.0036851700000000 ] - [ 0.0010431600000000, -0.0003291400000000, 0.0015063000000000 ] - [ 0.0010431600000000, 0.0003291400000000, 0.0015063000000000 ] - [ 0.0059952400000000, 0.0082665800000000, 0.0002021800000000 ] - [ 0.0059952400000000, -0.0082665800000000, 0.0002021800000000 ] - [ 0.0021281500000000, -0.0000111900000000, 0.0002382100000000 ] - [ 0.0021281500000000, 0.0000111900000000, 0.0002382100000000 ] - [ 0.0011727600000000, 0.0000000000000000, 0.0011707300000000 ] - [ -0.0002425000000000, 0.0000000000000000, 0.0004162500000000 ] - [ -0.0029309500000000, 0.0012267000000000, -0.0087059800000000 ] - [ -0.0029309500000000, -0.0012267000000000, -0.0087059800000000 ] - [ 0.0048216800000000, 0.0000000000000000, -0.0000754600000000 ] - [ 0.0046567100000000, 0.0000000000000000, -0.0001280200000000 ] - [ 0.0003272000000000, 0.0000000000000000, 0.0007739800000000 ] - [ 0.0001616500000000, 0.0000000000000000, 0.0006094700000000 ] - [ -0.0049919800000000, -0.0012181400000000, 0.0009376100000000 ] - [ -0.0049919800000000, 0.0012181400000000, 0.0009376100000000 ] - [ 0.0044543300000000, -0.0002297100000000, -0.0011973200000000 ] - [ 0.0044543300000000, 0.0002297100000000, -0.0011973200000000 ] - [ -0.0002085100000000, 0.0000000000000000, 0.0014172700000000 ] - [ 0.0003866700000000, 0.0000000000000000, 0.0014239400000000 ] - [ 0.0005445700000000, -0.0000188800000000, 0.0015603600000000 ] - [ 0.0005445700000000, 0.0000188800000000, 0.0015603600000000 ] - [ 0.0020445700000000, 0.0000000000000000, 0.0008023400000000 ] - [ 0.0016846800000000, 0.0000000000000000, 0.0004996600000000 ] - [ -0.0004407800000000, 0.0000276600000000, -0.0004272700000000 ] - [ -0.0004407800000000, -0.0000276600000000, -0.0004272700000000 ] - [ 0.0025398700000000, 0.0000600300000000, -0.0000047000000000 ] - [ 0.0025398700000000, -0.0000600300000000, -0.0000047000000000 ] - [ -0.0001422500000000, -0.0005707900000000, -0.0034729400000000 ] - [ -0.0001422500000000, 0.0005707900000000, -0.0034729400000000 ] - [ -0.0000165000000000, 0.0000000000000000, -0.0008473200000000 ] - [ -0.0001038300000000, 0.0000000000000000, -0.0008936500000000 ] - [ -0.0038563000000000, 0.0000000000000000, -0.0005513900000000 ] - [ -0.0041045100000000, 0.0000000000000000, -0.0005713500000000 ] - [ 0.0002112900000000, 0.0000000000000000, -0.0019708100000000 ] - [ -0.0001375400000000, 0.0000000000000000, -0.0012076100000000 ] - [ 0.0001495500000000, 0.0000186800000000, -0.0016471100000000 ] - [ 0.0001495500000000, -0.0000186800000000, -0.0016471100000000 ] - [ 0.0059107000000000, -0.0001944400000000, 0.0016509800000000 ] - [ 0.0059107000000000, 0.0001944400000000, 0.0016509800000000 ] - [ 0.0008864100000000, -0.0000091300000000, 0.0011485700000000 ] - [ 0.0008864100000000, 0.0000091300000000, 0.0011485700000000 ] - [ 0.0001279200000000, 0.0000000000000000, -0.0005769600000000 ] - [ 0.0002962200000000, 0.0000000000000000, 0.0001539900000000 ] - [ 0.0066865000000000, 0.0000000000000000, 0.0000791500000000 ] - [ 0.0042837300000000, 0.0000000000000000, 0.0001174600000000 ] - [ 0.0017090500000000, 0.0000000000000000, -0.0008048100000000 ] - [ -0.0007112700000000, 0.0000000000000000, -0.0003778400000000 ] - [ -0.0006091800000000, -0.0000567300000000, 0.0007605500000000 ] - [ -0.0006091800000000, 0.0000567300000000, 0.0007605500000000 ] - [ 0.0002614700000000, 0.0000000000000000, 0.0011694600000000 ] - [ 0.0002089300000000, 0.0000000000000000, 0.0009832200000000 ] - [ 0.0043513600000000, -0.0017701700000000, -0.0000223000000000 ] - [ 0.0043513600000000, 0.0017701700000000, -0.0000223000000000 ] - [ -0.0020594900000000, -0.0009039300000000, -0.0009719200000000 ] - [ -0.0020594900000000, 0.0009039300000000, -0.0009719200000000 ] - [ -0.0023589100000000, 0.0000000000000000, 0.0007839300000000 ] - [ -0.0024319600000000, 0.0000000000000000, 0.0007800800000000 ] - [ 0.0010073100000000, 0.0000000000000000, -0.0010184100000000 ] - [ 0.0023319900000000, 0.0000000000000000, -0.0006784200000000 ] - [ 0.0019955400000000, -0.0000574900000000, 0.0027591200000000 ] - [ 0.0019955400000000, 0.0000574900000000, 0.0027591200000000 ] - [ 0.0049715600000000, 0.0000000000000000, -0.0152785600000000 ] - [ -0.0008509900000000, 0.0000000000000000, -0.0032421200000000 ] - [ 0.0023276000000000, 0.0000215000000000, 0.0009577500000000 ] - [ 0.0023276000000000, -0.0000215000000000, 0.0009577500000000 ] - [ 0.0023149600000000, 0.0000000000000000, 0.0002785300000000 ] - [ 0.0019078400000000, 0.0000000000000000, 0.0002306000000000 ] - [ 0.0288079600000000, 0.0000000000000000, -0.0018960900000000 ] - [ -0.0007654200000000, 0.0000000000000000, -0.0000634800000000 ] - [ 0.0004761300000000, 0.0000000000000000, -0.0016411100000000 ] - [ 0.0004471900000000, 0.0000000000000000, -0.0017041700000000 ] - [ -0.0025668500000000, 0.0022687000000000, 0.0089054200000000 ] - [ -0.0025668500000000, -0.0022687000000000, 0.0089054200000000 ] - [ 0.0002692700000000, -0.0216402400000000, -0.0012569700000000 ] - [ 0.0002692700000000, 0.0216402400000000, -0.0012569700000000 ] - [ 0.0004807100000000, 0.0000606400000000, 0.0020408500000000 ] - [ 0.0004807100000000, -0.0000606400000000, 0.0020408500000000 ]- atom: 39 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0013711900000000, 0.0000000000000000, 0.0067589800000000 ] - [ 0.0012579800000000, 0.0000000000000000, 0.0007331500000000 ] - [ 0.0072727900000000, 0.0000000000000000, 0.0008568500000000 ] - [ -0.0012976700000000, 0.0000000000000000, 0.0001179400000000 ] - [ 0.0003828200000000, -0.0001200300000000, 0.0010965500000000 ] - [ 0.0003828200000000, 0.0001200300000000, 0.0010965500000000 ] - [ 0.0030850100000000, -0.0000416000000000, -0.0003911800000000 ] - [ 0.0030850100000000, 0.0000416000000000, -0.0003911800000000 ] - [ 0.0023663300000000, 0.0006159900000000, 0.0001069100000000 ] - [ 0.0023663300000000, -0.0006159900000000, 0.0001069100000000 ] - [ -0.0030155500000000, 0.0000000000000000, -0.0099706000000000 ] - [ -0.0034696200000000, 0.0000000000000000, -0.0029931600000000 ] - [ 0.0020677300000000, 0.0000000000000000, 0.0006921600000000 ] - [ 0.0010470400000000, 0.0000000000000000, -0.0002276800000000 ] - [ 0.0001182900000000, 0.0000000000000000, 0.0000583800000000 ] - [ -0.0008318000000000, 0.0000000000000000, -0.0000323500000000 ] - [ -0.0043897400000000, -0.0004404800000000, -0.0080763000000000 ] - [ -0.0043897400000000, 0.0004404800000000, -0.0080763000000000 ] - [ -0.0026556700000000, 0.0000000000000000, 0.0031251600000000 ] - [ -0.0031128400000000, 0.0000000000000000, 0.0025265900000000 ] - [ 0.0064491700000000, -0.0000927200000000, 0.0004641700000000 ] - [ 0.0064491700000000, 0.0000927200000000, 0.0004641700000000 ] - [ -0.0000109700000000, 0.0000000000000000, 0.0000736800000000 ] - [ -0.0013812900000000, 0.0000000000000000, 0.0007796700000000 ] - [ -0.0011037000000000, -0.0002616200000000, -0.0043896000000000 ] - [ -0.0011037000000000, 0.0002616200000000, -0.0043896000000000 ] - [ -0.0388795000000000, -0.0234037500000000, -0.0021936700000000 ] - [ -0.0388795000000000, 0.0234037500000000, -0.0021936700000000 ] - [ 0.0008473900000000, 0.0000000000000000, -0.0007580500000000 ] - [ 0.0005981000000000, 0.0000000000000000, -0.0008962700000000 ] - [ -0.0063099800000000, -0.0005714700000000, 0.0081508400000000 ] - [ -0.0063099800000000, 0.0005714700000000, 0.0081508400000000 ] - [ 0.0124978300000000, 0.0000000000000000, -0.0035918500000000 ] - [ -0.0046083100000000, 0.0000000000000000, -0.0008110400000000 ] - [ 0.0012901000000000, 0.0000232900000000, 0.0048761300000000 ] - [ 0.0012901000000000, -0.0000232900000000, 0.0048761300000000 ] - [ -0.0009102800000000, 0.0000000000000000, -0.0022379100000000 ] - [ -0.0004261300000000, 0.0000000000000000, -0.0010938300000000 ] - [ 0.0996539600000000, 0.0000000000000000, 0.0027695800000000 ] - [ 0.0171406700000000, 0.0000000000000000, 0.0027595600000000 ] - [ -0.0030215400000000, 0.0000000000000000, -0.0121001300000000 ] - [ 0.0013765300000000, 0.0000000000000000, -0.0019912000000000 ] - [ 0.0001976000000000, 0.0003337200000000, 0.0003105300000000 ] - [ 0.0001976000000000, -0.0003337200000000, 0.0003105300000000 ] - [ -0.0018339000000000, -0.0081684300000000, 0.0000464000000000 ] - [ -0.0018339000000000, 0.0081684300000000, 0.0000464000000000 ] - [ -0.0018909400000000, 0.0000112200000000, -0.0002727500000000 ] - [ -0.0018909400000000, -0.0000112200000000, -0.0002727500000000 ] - [ -0.0025290300000000, 0.0000000000000000, -0.0010747200000000 ] - [ -0.0011129600000000, 0.0000000000000000, -0.0003173000000000 ] - [ 0.0027794300000000, -0.0013026700000000, 0.0087260500000000 ] - [ 0.0027794300000000, 0.0013026700000000, 0.0087260500000000 ] - [ 0.0016665900000000, 0.0000000000000000, -0.0002245000000000 ] - [ 0.0018305400000000, 0.0000000000000000, -0.0001734400000000 ] - [ -0.0010737200000000, 0.0000000000000000, -0.0005146200000000 ] - [ -0.0009040700000000, 0.0000000000000000, -0.0003475400000000 ] - [ -0.0010978300000000, 0.0012166100000000, 0.0001989300000000 ] - [ -0.0010978300000000, -0.0012166100000000, 0.0001989300000000 ] - [ 0.0034397100000000, 0.0002345700000000, -0.0015922400000000 ] - [ 0.0034397100000000, -0.0002345700000000, -0.0015922400000000 ] - [ 0.0032709000000000, 0.0000000000000000, 0.0031223800000000 ] - [ 0.0026771500000000, 0.0000000000000000, 0.0031119500000000 ] - [ -0.0001324900000000, 0.0000194000000000, -0.0004524100000000 ] - [ -0.0001324900000000, -0.0000194000000000, -0.0004524100000000 ] - [ 0.0009289600000000, 0.0000000000000000, -0.0001472900000000 ] - [ 0.0012877100000000, 0.0000000000000000, 0.0001536800000000 ] - [ 0.0009306700000000, -0.0000258300000000, 0.0005877300000000 ] - [ 0.0009306700000000, 0.0000258300000000, 0.0005877300000000 ] - [ -0.0035414500000000, -0.0000604200000000, -0.0002611400000000 ] - [ -0.0035414500000000, 0.0000604200000000, -0.0002611400000000 ] - [ 0.0003261700000000, 0.0005752800000000, -0.0012025200000000 ] - [ 0.0003261700000000, -0.0005752800000000, -0.0012025200000000 ] - [ -0.0005893900000000, 0.0000000000000000, -0.0015830000000000 ] - [ -0.0005003300000000, 0.0000000000000000, -0.0015367600000000 ] - [ -0.0062187100000000, 0.0000000000000000, -0.0009010000000000 ] - [ -0.0059670300000000, 0.0000000000000000, -0.0008809600000000 ] - [ -0.0006133600000000, 0.0000000000000000, 0.0023981000000000 ] - [ -0.0002605200000000, 0.0000000000000000, 0.0015953000000000 ] - [ -0.0003882000000000, -0.0000175100000000, 0.0024053900000000 ] - [ -0.0003882000000000, 0.0000175100000000, 0.0024053900000000 ] - [ 0.0040324400000000, 0.0001958200000000, 0.0012525000000000 ] - [ 0.0040324400000000, -0.0001958200000000, 0.0012525000000000 ] - [ 0.0003627500000000, 0.0000100400000000, 0.0005319300000000 ] - [ 0.0003627500000000, -0.0000100400000000, 0.0005319300000000 ] - [ 0.0011204500000000, 0.0000000000000000, 0.0024169300000000 ] - [ 0.0009488100000000, 0.0000000000000000, 0.0016678100000000 ] - [ -0.0026361900000000, 0.0000000000000000, 0.0001802800000000 ] - [ -0.0001706800000000, 0.0000000000000000, 0.0001413800000000 ] - [ -0.0014837200000000, 0.0000000000000000, 0.0007827300000000 ] - [ 0.0010042500000000, 0.0000000000000000, 0.0003498900000000 ] - [ -0.0007486600000000, 0.0000569400000000, -0.0006722100000000 ] - [ -0.0007486600000000, -0.0000569400000000, -0.0006722100000000 ] - [ -0.0004053500000000, 0.0000000000000000, -0.0013270700000000 ] - [ -0.0003524400000000, 0.0000000000000000, -0.0011355500000000 ] - [ 0.0021364800000000, 0.0018430400000000, -0.0002777500000000 ] - [ 0.0021364800000000, -0.0018430400000000, -0.0002777500000000 ] - [ 0.0013368600000000, 0.0009305500000000, 0.0012457700000000 ] - [ 0.0013368600000000, -0.0009305500000000, 0.0012457700000000 ] - [ -0.0037665300000000, 0.0000000000000000, 0.0003493800000000 ] - [ -0.0036919900000000, 0.0000000000000000, 0.0003534400000000 ] - [ 0.0069248400000000, 0.0000000000000000, -0.0017800200000000 ] - [ 0.0055799400000000, 0.0000000000000000, -0.0021213000000000 ] - [ 0.0010399500000000, 0.0000584800000000, 0.0017544500000000 ] - [ 0.0010399500000000, -0.0000584800000000, 0.0017544500000000 ] - [ -0.0046194100000000, 0.0000000000000000, 0.0166344100000000 ] - [ 0.0012746500000000, 0.0000000000000000, 0.0044115100000000 ] - [ 0.0006215800000000, -0.0000204100000000, -0.0003141900000000 ] - [ 0.0006215800000000, 0.0000204100000000, -0.0003141900000000 ] - [ -0.0018387300000000, 0.0000000000000000, -0.0001257900000000 ] - [ -0.0014247900000000, 0.0000000000000000, -0.0000774200000000 ] - [ -0.0304520600000000, 0.0000000000000000, 0.0016912700000000 ] - [ -0.0001911000000000, 0.0000000000000000, -0.0001986700000000 ] - [ -0.0003024300000000, 0.0000000000000000, -0.0030608400000000 ] - [ -0.0002740000000000, 0.0000000000000000, -0.0029984700000000 ] - [ 0.0019399300000000, -0.0023327500000000, -0.0114806500000000 ] - [ 0.0019399300000000, 0.0023327500000000, -0.0114806500000000 ] - [ -0.0103357800000000, 0.0219055900000000, -0.0001842000000000 ] - [ -0.0103357800000000, -0.0219055900000000, -0.0001842000000000 ] - [ -0.0008868700000000, -0.0000596800000000, -0.0016843700000000 ] - [ -0.0008868700000000, 0.0000596800000000, -0.0016843700000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021861000000000, 0.0019323300000000, -0.0012838000000000 ] - [ 0.0021925500000000, -0.0020450000000000, -0.0011977100000000 ] - [ -0.0036214800000000, 0.0003891800000000, -0.0000691400000000 ] - [ -0.0035300600000000, -0.0002332800000000, -0.0000606000000000 ] - [ -0.0018091400000000, 0.0000025300000000, -0.0001343700000000 ] - [ -0.0009199300000000, -0.0000018600000000, 0.0000343000000000 ] - [ 0.0012961800000000, -0.0000011700000000, -0.0023614700000000 ] - [ 0.0030748300000000, -0.0000020500000000, -0.0000082000000000 ] - [ -0.0193534200000000, -0.0000130700000000, -0.0010519300000000 ] - [ 0.0120248100000000, -0.0000295600000000, 0.0009302400000000 ] - [ -0.0013358200000000, 0.0017241300000000, 0.0001033800000000 ] - [ -0.0013258100000000, -0.0017219600000000, -0.0000175700000000 ] - [ -0.0005584600000000, 0.0000992700000000, -0.0018563000000000 ] - [ -0.0005415800000000, -0.0001010700000000, -0.0018473400000000 ] - [ -0.0033193700000000, 0.0001779800000000, -0.0008090200000000 ] - [ -0.0033113200000000, -0.0001821200000000, -0.0008084200000000 ] - [ 0.0000016700000000, -0.0001095600000000, 0.0146067700000000 ] - [ -0.0022959200000000, -0.0001425600000000, -0.0189696500000000 ] - [ -0.0039312700000000, 0.0001518000000000, 0.0018421700000000 ] - [ -0.0039231100000000, -0.0001535800000000, 0.0018555700000000 ] - [ 0.0028948000000000, 0.0000174500000000, -0.0005008300000000 ] - [ 0.0042364900000000, 0.0000148300000000, -0.0000834300000000 ] - [ -0.0009114100000000, 0.0014162700000000, 0.0027071500000000 ] - [ -0.0008906600000000, -0.0014234300000000, 0.0027045400000000 ] - [ -0.0022398900000000, 0.0000098900000000, -0.0005433800000000 ] - [ 0.0012314500000000, -0.0000036000000000, -0.0030413700000000 ] - [ 0.0301874200000000, 0.0517175900000000, 0.0025327800000000 ] - [ -0.0347626500000000, 0.0447158200000000, -0.0038819000000000 ] - [ -0.0012084800000000, 0.0004818000000000, -0.0022164400000000 ] - [ -0.0012046900000000, -0.0004798400000000, -0.0022166500000000 ] - [ -0.0009341800000000, 0.0004920700000000, -0.0187368800000000 ] - [ -0.0068261700000000, 0.0004606000000000, 0.0223791200000000 ] - [ 0.0030203000000000, 0.0190766700000000, -0.0002489900000000 ] - [ 0.0036425300000000, -0.0163165400000000, -0.0002791500000000 ] - [ -0.0030776700000000, 0.0000080800000000, 0.0009477400000000 ] - [ 0.0012564600000000, 0.0000046700000000, 0.0043904200000000 ] - [ -0.0001124600000000, -0.0000203500000000, 0.0003985800000000 ] - [ -0.0001190500000000, 0.0000205900000000, 0.0003936900000000 ] - [ 0.0031659800000000, -0.2667426900000000, 0.0012756800000000 ] - [ 0.0048202900000000, 0.0793723600000000, 0.0014414900000000 ] - [ 0.0006842000000000, -0.0015129200000000, 0.0009706100000000 ] - [ 0.0006249200000000, 0.0013692100000000, 0.0008630100000000 ] - [ 0.0006510600000000, -0.0000040600000000, 0.0009781400000000 ] - [ 0.0006011700000000, 0.0000067100000000, 0.0008672000000000 ] - [ 0.0326976000000000, 0.0000249200000000, -0.0017803700000000 ] - [ -0.0278645000000000, 0.0001294600000000, 0.0019790100000000 ] - [ 0.0010487600000000, -0.0000021000000000, 0.0001404300000000 ] - [ -0.0007411600000000, -0.0000015400000000, -0.0001648900000000 ] - [ -0.0006357000000000, -0.0000953600000000, 0.0000689100000000 ] - [ -0.0006702800000000, 0.0001101100000000, 0.0000530600000000 ] - [ 0.0002388700000000, 0.0110910700000000, -0.0310653200000000 ] - [ -0.0004065900000000, 0.0111307400000000, 0.0305955600000000 ] - [ 0.0032711200000000, -0.0069385100000000, -0.0001483800000000 ] - [ 0.0032749300000000, 0.0074302000000000, -0.0001498000000000 ] - [ -0.0003592900000000, -0.0001827800000000, 0.0001431000000000 ] - [ -0.0003615200000000, 0.0001834900000000, 0.0001405000000000 ] - [ -0.0046933500000000, 0.0001413800000000, -0.0000105000000000 ] - [ -0.0014561200000000, 0.0001994600000000, 0.0011504800000000 ] - [ 0.0040320100000000, -0.0000026300000000, -0.0013859600000000 ] - [ 0.0038858300000000, 0.0000033600000000, -0.0013984400000000 ] - [ 0.0015071000000000, -0.0067011700000000, 0.0022768400000000 ] - [ 0.0015145900000000, 0.0068219300000000, 0.0022626700000000 ] - [ 0.0002879100000000, 0.0000002000000000, 0.0006772600000000 ] - [ 0.0001409400000000, 0.0000005600000000, 0.0004657800000000 ] - [ 0.0015002800000000, -0.0002016500000000, 0.0003348900000000 ] - [ 0.0014924800000000, 0.0002078500000000, 0.0003267600000000 ] - [ 0.0034507400000000, -0.0001178400000000, -0.0007550200000000 ] - [ -0.0029842000000000, -0.0001113000000000, 0.0009069400000000 ] - [ 0.0013501900000000, -0.0000099000000000, 0.0000941100000000 ] - [ -0.0022377000000000, -0.0000082900000000, -0.0003509400000000 ] - [ -0.0002894000000000, 0.0000955700000000, -0.0040784800000000 ] - [ 0.0004624400000000, 0.0001152100000000, -0.0006396100000000 ] - [ -0.0002961500000000, -0.0000228000000000, -0.0012053900000000 ] - [ -0.0002972600000000, 0.0000234300000000, -0.0012079600000000 ] - [ -0.0050152400000000, -0.0002563900000000, -0.0007227700000000 ] - [ -0.0050182000000000, 0.0002340900000000, -0.0007230700000000 ] - [ -0.0001982200000000, -0.0001009000000000, 0.0001790200000000 ] - [ -0.0002033100000000, 0.0000999700000000, 0.0001749100000000 ] - [ 0.0007193500000000, -0.0000089600000000, -0.0007567900000000 ] - [ -0.0009572700000000, -0.0000057500000000, 0.0014374800000000 ] - [ 0.0051861000000000, 0.0000032500000000, 0.0014729800000000 ] - [ 0.0047954000000000, 0.0000094000000000, 0.0014379700000000 ] - [ 0.0007748300000000, -0.0000017100000000, 0.0011771600000000 ] - [ 0.0004861300000000, -0.0000019200000000, 0.0005089200000000 ] - [ 0.0006134800000000, -0.0018241400000000, 0.0008940900000000 ] - [ 0.0006157500000000, 0.0018199700000000, 0.0009036000000000 ] - [ 0.0021060800000000, -0.0000358800000000, 0.0001286300000000 ] - [ 0.0020910800000000, 0.0000277100000000, 0.0001287200000000 ] - [ 0.0001552200000000, -0.0002913200000000, -0.0000243200000000 ] - [ 0.0001302300000000, 0.0003164100000000, -0.0000181500000000 ] - [ -0.0003386800000000, 0.0000761900000000, 0.0015711700000000 ] - [ -0.0010168800000000, 0.0000763300000000, -0.0014534600000000 ] - [ -0.0000649500000000, -0.0000497400000000, -0.0000573400000000 ] - [ -0.0000655100000000, 0.0000499800000000, -0.0000580000000000 ] - [ 0.0031697600000000, 0.0000501200000000, -0.0001675500000000 ] - [ 0.0033284600000000, 0.0000536000000000, -0.0001276400000000 ] - [ -0.0013846900000000, 0.0000760500000000, 0.0002233900000000 ] - [ 0.0006055500000000, 0.0000954100000000, 0.0000178100000000 ] - [ -0.0030491500000000, -0.0007679300000000, 0.0005674600000000 ] - [ -0.0030499500000000, 0.0007652700000000, 0.0005674500000000 ] - [ 0.0039263900000000, -0.0100772400000000, -0.0014082900000000 ] - [ 0.0039329700000000, 0.0094307800000000, -0.0013970500000000 ] - [ 0.0017994000000000, -0.0000006700000000, 0.0025614600000000 ] - [ 0.0012562900000000, 0.0000008200000000, 0.0019684100000000 ] - [ 0.0002903500000000, -0.0019944200000000, 0.0003632000000000 ] - [ 0.0002027700000000, 0.0013233200000000, 0.0005489600000000 ] - [ 0.0041709600000000, -0.0001409200000000, 0.0018705400000000 ] - [ -0.0011852200000000, -0.0001359900000000, -0.0012151400000000 ] - [ 0.0002742700000000, -0.0000514900000000, 0.0000819000000000 ] - [ 0.0002686400000000, 0.0000528200000000, 0.0000810600000000 ] - [ -0.0002275100000000, -0.0003633900000000, -0.0001455800000000 ] - [ -0.0005107300000000, 0.0005373500000000, -0.0001299200000000 ] - [ 0.0000912400000000, -0.0012086500000000, -0.0023403500000000 ] - [ 0.0000910500000000, 0.0012028900000000, -0.0023409400000000 ] - [ 0.0007882100000000, 0.0090775200000000, 0.0353496200000000 ] - [ -0.0014062600000000, 0.0091487500000000, -0.0373813200000000 ] - [ -0.0275781100000000, 0.0235367000000000, -0.0006025700000000 ] - [ 0.0172008500000000, 0.0235241100000000, -0.0008454000000000 ] - [ 0.0009756300000000, -0.0000045800000000, 0.0019392400000000 ] - [ -0.0013683300000000, -0.0000014500000000, -0.0015128100000000 ]- atom: 39 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0000397000000000, 0.0000000000000000, -0.0000876300000000 ] - [ 0.0001409700000000, 0.0000000000000000, -0.0001317700000000 ] - [ 0.0016765400000000, 0.0000000000000000, 0.0005078300000000 ] - [ -0.0024594200000000, 0.0000000000000000, -0.0001402900000000 ] - [ -0.0012718800000000, -0.0000353600000000, 0.0002540900000000 ] - [ -0.0012718800000000, 0.0000353600000000, 0.0002540900000000 ] - [ 0.0023279500000000, -0.0000318300000000, -0.0016656300000000 ] - [ 0.0023279500000000, 0.0000318300000000, -0.0016656300000000 ] - [ -0.0011531900000000, 0.0003230600000000, 0.0006584600000000 ] - [ -0.0011531900000000, -0.0003230600000000, 0.0006584600000000 ] - [ 0.0007152400000000, 0.0000000000000000, -0.0086749100000000 ] - [ -0.0001197700000000, 0.0000000000000000, -0.0016212200000000 ] - [ -0.0006641200000000, 0.0000000000000000, -0.0007280100000000 ] - [ -0.0007745800000000, 0.0000000000000000, -0.0011224000000000 ] - [ -0.0020562400000000, 0.0000000000000000, -0.0009649800000000 ] - [ -0.0024916200000000, 0.0000000000000000, -0.0009860800000000 ] - [ -0.0015842100000000, 0.0000736900000000, -0.0115560900000000 ] - [ -0.0015842100000000, -0.0000736900000000, -0.0115560900000000 ] - [ -0.0040153800000000, 0.0000000000000000, 0.0014937000000000 ] - [ -0.0042164400000000, 0.0000000000000000, 0.0014842600000000 ] - [ 0.0046455900000000, -0.0000377300000000, -0.0003529400000000 ] - [ 0.0046455900000000, 0.0000377300000000, -0.0003529400000000 ] - [ 0.0012025500000000, 0.0000000000000000, 0.0000694400000000 ] - [ -0.0003626200000000, 0.0000000000000000, 0.0005459000000000 ] - [ 0.0022938200000000, -0.0002566100000000, -0.0038104300000000 ] - [ 0.0022938200000000, 0.0002566100000000, -0.0038104300000000 ] - [ -0.0197924900000000, -0.0074910300000000, 0.0058460600000000 ] - [ -0.0197924900000000, 0.0074910300000000, 0.0058460600000000 ] - [ -0.0009668500000000, 0.0000000000000000, -0.0019688000000000 ] - [ -0.0010371600000000, 0.0000000000000000, -0.0020269300000000 ] - [ -0.0048858300000000, -0.0004008500000000, -0.0009108300000000 ] - [ -0.0048858300000000, 0.0004008500000000, -0.0009108300000000 ] - [ 0.0072446700000000, 0.0000000000000000, 0.0057662400000000 ] - [ -0.0000562100000000, 0.0000000000000000, 0.0018750900000000 ] - [ -0.0013612400000000, -0.0000096600000000, 0.0035581800000000 ] - [ -0.0013612400000000, 0.0000096600000000, 0.0035581800000000 ] - [ -0.0003560300000000, 0.0000000000000000, -0.0008641400000000 ] - [ -0.0001812000000000, 0.0000000000000000, -0.0003001900000000 ] - [ 0.0510886300000000, 0.0000000000000000, -0.0339929800000000 ] - [ 0.0100032300000000, 0.0000000000000000, 0.0058283200000000 ] - [ 0.0027900200000000, 0.0000000000000000, -0.0032595000000000 ] - [ 0.0013522700000000, 0.0000000000000000, -0.0020267400000000 ] - [ 0.0006389300000000, 0.0000851800000000, 0.0007532600000000 ] - [ 0.0006389300000000, -0.0000851800000000, 0.0007532600000000 ] - [ 0.0007545600000000, -0.0046365800000000, -0.0010219600000000 ] - [ 0.0007545600000000, 0.0046365800000000, -0.0010219600000000 ] - [ 0.0000594900000000, 0.0000031100000000, -0.0000590000000000 ] - [ 0.0000594900000000, -0.0000031100000000, -0.0000590000000000 ] - [ 0.0000213300000000, 0.0000000000000000, 0.0001192800000000 ] - [ 0.0000246100000000, 0.0000000000000000, 0.0001472100000000 ] - [ 0.0000278700000000, -0.0092263000000000, 0.0134810200000000 ] - [ 0.0000278700000000, 0.0092263000000000, 0.0134810200000000 ] - [ 0.0026956700000000, 0.0000000000000000, -0.0004661900000000 ] - [ 0.0027819400000000, 0.0000000000000000, -0.0001694300000000 ] - [ -0.0003618500000000, 0.0000000000000000, -0.0000162500000000 ] - [ -0.0003156100000000, 0.0000000000000000, 0.0000237300000000 ] - [ -0.0013844500000000, 0.0000677100000000, 0.0007150400000000 ] - [ -0.0013844500000000, -0.0000677100000000, 0.0007150400000000 ] - [ 0.0039719000000000, 0.0000677000000000, -0.0013729600000000 ] - [ 0.0039719000000000, -0.0000677000000000, -0.0013729600000000 ] - [ 0.0028164100000000, 0.0000000000000000, 0.0038487400000000 ] - [ 0.0028222500000000, 0.0000000000000000, 0.0035919800000000 ] - [ 0.0001480300000000, 0.0000063500000000, 0.0002992000000000 ] - [ 0.0001480300000000, -0.0000063500000000, 0.0002992000000000 ] - [ 0.0014715600000000, 0.0000000000000000, 0.0007436800000000 ] - [ 0.0018062100000000, 0.0000000000000000, 0.0007089900000000 ] - [ -0.0026363500000000, 0.0000111900000000, 0.0007343200000000 ] - [ -0.0026363500000000, -0.0000111900000000, 0.0007343200000000 ] - [ -0.0017618500000000, -0.0000386600000000, -0.0002082500000000 ] - [ -0.0017618500000000, 0.0000386600000000, -0.0002082500000000 ] - [ 0.0001221700000000, 0.0003900200000000, -0.0007913200000000 ] - [ 0.0001221700000000, -0.0003900200000000, -0.0007913200000000 ] - [ -0.0003746000000000, 0.0000000000000000, -0.0007894900000000 ] - [ -0.0003363400000000, 0.0000000000000000, -0.0008425400000000 ] - [ -0.0054350400000000, 0.0000000000000000, -0.0007278500000000 ] - [ -0.0053249500000000, 0.0000000000000000, -0.0007233200000000 ] - [ -0.0004433800000000, 0.0000000000000000, 0.0016424400000000 ] - [ -0.0002226200000000, 0.0000000000000000, 0.0013047400000000 ] - [ -0.0005063200000000, -0.0000267600000000, 0.0011162700000000 ] - [ -0.0005063200000000, 0.0000267600000000, 0.0011162700000000 ] - [ 0.0046783600000000, 0.0000823000000000, 0.0014489800000000 ] - [ 0.0046783600000000, -0.0000823000000000, 0.0014489800000000 ] - [ 0.0005483800000000, 0.0000053800000000, 0.0012160200000000 ] - [ 0.0005483800000000, -0.0000053800000000, 0.0012160200000000 ] - [ 0.0002678500000000, 0.0000000000000000, 0.0024468900000000 ] - [ 0.0001499600000000, 0.0000000000000000, 0.0017071000000000 ] - [ 0.0001089200000000, 0.0000000000000000, 0.0002476200000000 ] - [ 0.0012241800000000, 0.0000000000000000, 0.0001869700000000 ] - [ -0.0037457900000000, 0.0000000000000000, 0.0007982700000000 ] - [ -0.0010083600000000, 0.0000000000000000, 0.0003797000000000 ] - [ -0.0013305900000000, 0.0000473200000000, 0.0007764000000000 ] - [ -0.0013305900000000, -0.0000473200000000, 0.0007764000000000 ] - [ -0.0001418900000000, 0.0000000000000000, -0.0002874500000000 ] - [ -0.0001210500000000, 0.0000000000000000, -0.0001998100000000 ] - [ 0.0027146900000000, 0.0008780900000000, -0.0002181800000000 ] - [ 0.0027146900000000, -0.0008780900000000, -0.0002181800000000 ] - [ -0.0003859200000000, 0.0009755500000000, 0.0012428200000000 ] - [ -0.0003859200000000, -0.0009755500000000, 0.0012428200000000 ] - [ -0.0031238500000000, 0.0000000000000000, 0.0006572000000000 ] - [ -0.0031082900000000, 0.0000000000000000, 0.0006515500000000 ] - [ 0.0047839500000000, 0.0000000000000000, -0.0008862400000000 ] - [ 0.0035923000000000, 0.0000000000000000, -0.0010042900000000 ] - [ 0.0015198200000000, 0.0000230200000000, 0.0021980500000000 ] - [ 0.0015198200000000, -0.0000230200000000, 0.0021980500000000 ] - [ -0.0079004500000000, 0.0000000000000000, 0.0131310800000000 ] - [ 0.0002560400000000, 0.0000000000000000, 0.0015498200000000 ] - [ 0.0024799000000000, -0.0000142700000000, 0.0006157000000000 ] - [ 0.0024799000000000, 0.0000142700000000, 0.0006157000000000 ] - [ 0.0000236400000000, 0.0000000000000000, 0.0000398000000000 ] - [ 0.0001255400000000, 0.0000000000000000, 0.0000500800000000 ] - [ -0.0147995600000000, 0.0000000000000000, 0.0019230400000000 ] - [ -0.0005676300000000, 0.0000000000000000, -0.0002752900000000 ] - [ 0.0001877000000000, 0.0000000000000000, -0.0024986500000000 ] - [ 0.0001920700000000, 0.0000000000000000, -0.0024788000000000 ] - [ 0.0024396500000000, 0.0060569800000000, 0.0008110900000000 ] - [ 0.0024396500000000, -0.0060569800000000, 0.0008110900000000 ] - [ -0.0082381600000000, 0.0110411700000000, -0.0045315000000000 ] - [ -0.0082381600000000, -0.0110411700000000, -0.0045315000000000 ] - [ -0.0003371400000000, 0.0000054800000000, -0.0008301500000000 ] - [ -0.0003371400000000, -0.0000054800000000, -0.0008301500000000 ]- atom: 39 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0043532500000000, 0.0000000000000000, -0.0022674400000000 ] - [ 0.0042555200000000, 0.0000000000000000, -0.0022515500000000 ] - [ -0.0086806700000000, 0.0000000000000000, -0.0006096900000000 ] - [ -0.0045789100000000, 0.0000000000000000, 0.0000306200000000 ] - [ -0.0014080400000000, 0.0000358900000000, -0.0003179600000000 ] - [ -0.0014080400000000, -0.0000358900000000, -0.0003179600000000 ] - [ 0.0020555300000000, 0.0000310400000000, -0.0007014200000000 ] - [ 0.0020555300000000, -0.0000310400000000, -0.0007014200000000 ] - [ -0.0058173800000000, -0.0003233100000000, -0.0007751700000000 ] - [ -0.0058173800000000, 0.0003233100000000, -0.0007751700000000 ] - [ -0.0033943900000000, 0.0000000000000000, 0.0085240900000000 ] - [ -0.0025793300000000, 0.0000000000000000, 0.0015608200000000 ] - [ -0.0003700300000000, 0.0000000000000000, -0.0029286200000000 ] - [ -0.0002603400000000, 0.0000000000000000, -0.0025419700000000 ] - [ -0.0045032500000000, 0.0000000000000000, -0.0006243100000000 ] - [ -0.0040729200000000, 0.0000000000000000, -0.0006052900000000 ] - [ -0.0007865400000000, -0.0000716700000000, 0.0071513900000000 ] - [ -0.0007865400000000, 0.0000716700000000, 0.0071513900000000 ] - [ -0.0037953100000000, 0.0000000000000000, 0.0022422800000000 ] - [ -0.0035955900000000, 0.0000000000000000, 0.0022553600000000 ] - [ 0.0025818800000000, 0.0000379500000000, -0.0002151100000000 ] - [ 0.0025818800000000, -0.0000379500000000, -0.0002151100000000 ] - [ -0.0029554900000000, 0.0000000000000000, 0.0053232900000000 ] - [ -0.0014217300000000, 0.0000000000000000, 0.0048541500000000 ] - [ -0.0033559800000000, 0.0002510600000000, 0.0001261000000000 ] - [ -0.0033559800000000, -0.0002510600000000, 0.0001261000000000 ] - [ 0.0128881800000000, 0.0068257300000000, -0.0073325000000000 ] - [ 0.0128881800000000, -0.0068257300000000, -0.0073325000000000 ] - [ -0.0014000200000000, 0.0000000000000000, -0.0024311400000000 ] - [ -0.0013291100000000, 0.0000000000000000, -0.0023757700000000 ] - [ -0.0029483900000000, 0.0003972300000000, 0.0046583000000000 ] - [ -0.0029483900000000, -0.0003972300000000, 0.0046583000000000 ] - [ -0.0003078700000000, 0.0000000000000000, -0.0064997900000000 ] - [ 0.0072087700000000, 0.0000000000000000, -0.0024486300000000 ] - [ -0.0004136200000000, 0.0000101600000000, 0.0018502000000000 ] - [ -0.0004136200000000, -0.0000101600000000, 0.0018502000000000 ] - [ 0.0001142600000000, 0.0000000000000000, 0.0016025700000000 ] - [ -0.0000583300000000, 0.0000000000000000, 0.0010570700000000 ] - [ -0.0402144800000000, 0.0000000000000000, 0.0369213100000000 ] - [ 0.0000881600000000, 0.0000000000000000, -0.0029457200000000 ] - [ -0.0015414100000000, 0.0000000000000000, 0.0049115700000000 ] - [ -0.0000989500000000, 0.0000000000000000, 0.0037511300000000 ] - [ 0.0006026200000000, -0.0000853400000000, 0.0010705900000000 ] - [ 0.0006026200000000, 0.0000853400000000, 0.0010705900000000 ] - [ 0.0033411900000000, 0.0046683400000000, 0.0013102600000000 ] - [ 0.0033411900000000, -0.0046683400000000, 0.0013102600000000 ] - [ 0.0001920200000000, -0.0000031900000000, 0.0000251700000000 ] - [ 0.0001920200000000, 0.0000031900000000, 0.0000251700000000 ] - [ -0.0013664000000000, 0.0000000000000000, -0.0000150000000000 ] - [ -0.0013870600000000, 0.0000000000000000, -0.0000480300000000 ] - [ -0.0001766200000000, 0.0093689600000000, -0.0137091900000000 ] - [ -0.0001766200000000, -0.0093689600000000, -0.0137091900000000 ] - [ 0.0037880800000000, 0.0000000000000000, 0.0001682300000000 ] - [ 0.0036989900000000, 0.0000000000000000, -0.0001329900000000 ] - [ -0.0003833000000000, 0.0000000000000000, 0.0002810100000000 ] - [ -0.0004278600000000, 0.0000000000000000, 0.0002410300000000 ] - [ -0.0047393900000000, -0.0000833000000000, 0.0004242100000000 ] - [ -0.0047393900000000, 0.0000833000000000, 0.0004242100000000 ] - [ 0.0039255800000000, -0.0000657600000000, -0.0014173400000000 ] - [ 0.0039255800000000, 0.0000657600000000, -0.0014173400000000 ] - [ 0.0002173300000000, 0.0000000000000000, 0.0006915100000000 ] - [ 0.0002164700000000, 0.0000000000000000, 0.0009281800000000 ] - [ 0.0002675900000000, -0.0000059800000000, 0.0008082400000000 ] - [ 0.0002675900000000, 0.0000059800000000, 0.0008082400000000 ] - [ 0.0014897700000000, 0.0000000000000000, -0.0000914400000000 ] - [ 0.0011555900000000, 0.0000000000000000, -0.0000615900000000 ] - [ 0.0031523200000000, -0.0000100600000000, -0.0005757800000000 ] - [ 0.0031523200000000, 0.0000100600000000, -0.0005757800000000 ] - [ 0.0007536900000000, 0.0000377800000000, -0.0000562600000000 ] - [ 0.0007536900000000, -0.0000377800000000, -0.0000562600000000 ] - [ 0.0000536200000000, -0.0003855300000000, -0.0039060100000000 ] - [ 0.0000536200000000, 0.0003855300000000, -0.0039060100000000 ] - [ -0.0002272100000000, 0.0000000000000000, -0.0016462700000000 ] - [ -0.0002651300000000, 0.0000000000000000, -0.0015926600000000 ] - [ -0.0046296600000000, 0.0000000000000000, -0.0007245900000000 ] - [ -0.0047399900000000, 0.0000000000000000, -0.0007292900000000 ] - [ 0.0000375200000000, 0.0000000000000000, -0.0012660400000000 ] - [ -0.0001823600000000, 0.0000000000000000, -0.0009475400000000 ] - [ 0.0002674500000000, 0.0000273400000000, -0.0003376700000000 ] - [ 0.0002674500000000, -0.0000273400000000, -0.0003376700000000 ] - [ 0.0052720200000000, -0.0000833400000000, 0.0014555800000000 ] - [ 0.0052720200000000, 0.0000833400000000, 0.0014555800000000 ] - [ 0.0007023100000000, -0.0000050000000000, 0.0004771100000000 ] - [ 0.0007023100000000, 0.0000050000000000, 0.0004771100000000 ] - [ 0.0009804100000000, 0.0000000000000000, -0.0006078500000000 ] - [ 0.0010954000000000, 0.0000000000000000, 0.0001157900000000 ] - [ 0.0040058200000000, 0.0000000000000000, 0.0000097400000000 ] - [ 0.0029111600000000, 0.0000000000000000, 0.0000692200000000 ] - [ 0.0039551200000000, 0.0000000000000000, -0.0008272100000000 ] - [ 0.0012938100000000, 0.0000000000000000, -0.0004138700000000 ] - [ -0.0000136300000000, -0.0000458900000000, -0.0006733700000000 ] - [ -0.0000136300000000, 0.0000458900000000, -0.0006733700000000 ] - [ 0.0000025200000000, 0.0000000000000000, 0.0001424900000000 ] - [ -0.0000181700000000, 0.0000000000000000, 0.0000576600000000 ] - [ 0.0037881500000000, -0.0008361300000000, -0.0000847800000000 ] - [ 0.0037881500000000, 0.0008361300000000, -0.0000847800000000 ] - [ -0.0003493600000000, -0.0009498700000000, -0.0009728800000000 ] - [ -0.0003493600000000, 0.0009498700000000, -0.0009728800000000 ] - [ -0.0029940300000000, 0.0000000000000000, 0.0004816200000000 ] - [ -0.0030099400000000, 0.0000000000000000, 0.0004871200000000 ] - [ 0.0031402500000000, 0.0000000000000000, -0.0019217100000000 ] - [ 0.0043035600000000, 0.0000000000000000, -0.0017883100000000 ] - [ 0.0015240800000000, -0.0000228400000000, 0.0023192100000000 ] - [ 0.0015240800000000, 0.0000228400000000, 0.0023192100000000 ] - [ 0.0081294400000000, 0.0000000000000000, -0.0118013000000000 ] - [ 0.0001642700000000, 0.0000000000000000, -0.0004308800000000 ] - [ 0.0004982300000000, 0.0000128000000000, 0.0000329000000000 ] - [ 0.0004982300000000, -0.0000128000000000, 0.0000329000000000 ] - [ 0.0004687900000000, 0.0000000000000000, 0.0001164800000000 ] - [ 0.0003684900000000, 0.0000000000000000, 0.0001059400000000 ] - [ 0.0137345600000000, 0.0000000000000000, -0.0021216600000000 ] - [ -0.0003908100000000, 0.0000000000000000, 0.0000106200000000 ] - [ -0.0000109900000000, 0.0000000000000000, -0.0022008300000000 ] - [ -0.0000152700000000, 0.0000000000000000, -0.0022210000000000 ] - [ -0.0030031900000000, -0.0060023900000000, -0.0032511200000000 ] - [ -0.0030031900000000, 0.0060023900000000, -0.0032511200000000 ] - [ -0.0017690800000000, -0.0110186100000000, 0.0030257700000000 ] - [ -0.0017690800000000, 0.0110186100000000, 0.0030257700000000 ] - [ -0.0000706900000000, -0.0000055000000000, 0.0011810800000000 ] - [ -0.0000706900000000, 0.0000055000000000, 0.0011810800000000 ]- atom: 41 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0232073000000000, 0.0000000000000000, -0.0082637100000000 ] - [ 0.0047675100000000, 0.0000000000000000, -0.0020929900000000 ] - [ -0.0075204900000000, 0.0000000000000000, 0.0012164600000000 ] - [ -0.0032588900000000, 0.0000000000000000, 0.0007934300000000 ] - [ -0.0018896200000000, 0.0002617800000000, -0.0006423600000000 ] - [ -0.0018896200000000, -0.0002617800000000, -0.0006423600000000 ] - [ 0.0015598000000000, 0.0000374900000000, -0.0016192300000000 ] - [ 0.0015598000000000, -0.0000374900000000, -0.0016192300000000 ] - [ -0.0048132800000000, -0.0000140900000000, -0.0005324500000000 ] - [ -0.0048132800000000, 0.0000140900000000, -0.0005324500000000 ] - [ -0.0008157100000000, 0.0000000000000000, 0.0011583200000000 ] - [ -0.0010665500000000, 0.0000000000000000, -0.0000974000000000 ] - [ -0.0039778900000000, 0.0000000000000000, -0.0041221000000000 ] - [ -0.0006169900000000, 0.0000000000000000, -0.0024767600000000 ] - [ -0.0042353600000000, 0.0000000000000000, -0.0011972800000000 ] - [ -0.0037915300000000, 0.0000000000000000, -0.0008694200000000 ] - [ -0.0024604900000000, -0.0020166600000000, 0.0011683700000000 ] - [ -0.0024604900000000, 0.0020166600000000, 0.0011683700000000 ] - [ -0.0041753200000000, 0.0000000000000000, -0.0006204700000000 ] - [ -0.0029057000000000, 0.0000000000000000, 0.0020470500000000 ] - [ 0.0027763800000000, 0.0000575600000000, -0.0007532200000000 ] - [ 0.0027763800000000, -0.0000575600000000, -0.0007532200000000 ] - [ 0.0004309400000000, 0.0000000000000000, 0.0053603900000000 ] - [ -0.0003116200000000, 0.0000000000000000, 0.0038969100000000 ] - [ -0.0016358400000000, 0.0001605500000000, -0.0015915900000000 ] - [ -0.0016358400000000, -0.0001605500000000, -0.0015915900000000 ] - [ -0.0042268200000000, -0.0027621900000000, -0.0033195000000000 ] - [ -0.0042268200000000, 0.0027621900000000, -0.0033195000000000 ] - [ -0.0023485700000000, 0.0000000000000000, -0.0026281100000000 ] - [ -0.0019953400000000, 0.0000000000000000, -0.0025216500000000 ] - [ -0.0040343400000000, 0.0000766300000000, 0.0006494100000000 ] - [ -0.0040343400000000, -0.0000766300000000, 0.0006494100000000 ] - [ 0.0205546000000000, 0.0000000000000000, 0.0019203400000000 ] - [ 0.0064511100000000, 0.0000000000000000, 0.0002026200000000 ] - [ -0.0017731800000000, 0.0000237100000000, 0.0021577700000000 ] - [ -0.0017731800000000, -0.0000237100000000, 0.0021577700000000 ] - [ 0.0008767300000000, 0.0000000000000000, 0.0013193200000000 ] - [ 0.0000218100000000, 0.0000000000000000, 0.0005450200000000 ] - [ 0.0086270100000000, 0.0000000000000000, 0.0060993900000000 ] - [ 0.0042221800000000, 0.0000000000000000, 0.0018590300000000 ] - [ -0.0327573400000000, 0.0000000000000000, 0.0122053100000000 ] - [ -0.0000195600000000, 0.0000000000000000, 0.0012758000000000 ] - [ 0.0008939300000000, -0.0006916200000000, 0.0013098700000000 ] - [ 0.0008939300000000, 0.0006916200000000, 0.0013098700000000 ] - [ 0.0031074800000000, 0.0000222500000000, 0.0002683400000000 ] - [ 0.0031074800000000, -0.0000222500000000, 0.0002683400000000 ] - [ 0.0008545500000000, -0.0000254800000000, 0.0000876100000000 ] - [ 0.0008545500000000, 0.0000254800000000, 0.0000876100000000 ] - [ -0.0011559400000000, 0.0000000000000000, 0.0087233100000000 ] - [ -0.0020307100000000, 0.0000000000000000, 0.0000241100000000 ] - [ 0.0011111500000000, 0.0014608900000000, -0.0009317000000000 ] - [ 0.0011111500000000, -0.0014608900000000, -0.0009317000000000 ] - [ 0.0035388500000000, 0.0000000000000000, -0.0000478900000000 ] - [ 0.0035303700000000, 0.0000000000000000, -0.0000494500000000 ] - [ 0.0000209400000000, 0.0000000000000000, 0.0006650900000000 ] - [ -0.0004226700000000, 0.0000000000000000, 0.0003135900000000 ] - [ -0.0059061600000000, 0.0025862500000000, -0.0023082000000000 ] - [ -0.0059061600000000, -0.0025862500000000, -0.0023082000000000 ] - [ 0.0039739400000000, -0.0006223700000000, -0.0011855900000000 ] - [ 0.0039739400000000, 0.0006223700000000, -0.0011855900000000 ] - [ 0.0024589700000000, 0.0000000000000000, -0.0014416500000000 ] - [ 0.0009919400000000, 0.0000000000000000, 0.0017174500000000 ] - [ 0.0003040800000000, -0.0000304100000000, 0.0010466400000000 ] - [ 0.0003040800000000, 0.0000304100000000, 0.0010466400000000 ] - [ 0.0008144500000000, 0.0000000000000000, 0.0015736700000000 ] - [ 0.0006338800000000, 0.0000000000000000, -0.0002659300000000 ] - [ 0.0014311600000000, -0.0000077600000000, -0.0001462000000000 ] - [ 0.0014311600000000, 0.0000077600000000, -0.0001462000000000 ] - [ 0.0003294000000000, -0.0000013300000000, -0.0000472200000000 ] - [ 0.0003294000000000, 0.0000013300000000, -0.0000472200000000 ] - [ -0.0000762200000000, -0.0000335200000000, -0.0032239200000000 ] - [ -0.0000762200000000, 0.0000335200000000, -0.0032239200000000 ] - [ -0.0001016000000000, 0.0000000000000000, -0.0002573800000000 ] - [ -0.0003287400000000, 0.0000000000000000, -0.0012606000000000 ] - [ -0.0046976400000000, 0.0000000000000000, -0.0006448100000000 ] - [ -0.0048067000000000, 0.0000000000000000, -0.0006569200000000 ] - [ -0.0000479900000000, 0.0000000000000000, -0.0017128100000000 ] - [ -0.0003109800000000, 0.0000000000000000, -0.0007965300000000 ] - [ 0.0000640500000000, -0.0000122300000000, 0.0004449600000000 ] - [ 0.0000640500000000, 0.0000122300000000, 0.0004449600000000 ] - [ 0.0052345800000000, -0.0001451500000000, 0.0015148200000000 ] - [ 0.0052345800000000, 0.0001451500000000, 0.0015148200000000 ] - [ 0.0007260700000000, -0.0000083100000000, 0.0011427400000000 ] - [ 0.0007260700000000, 0.0000083100000000, 0.0011427400000000 ] - [ 0.0006741000000000, 0.0000000000000000, 0.0004094400000000 ] - [ 0.0007862800000000, 0.0000000000000000, 0.0008028900000000 ] - [ 0.0030261700000000, 0.0000000000000000, 0.0000115300000000 ] - [ 0.0024598900000000, 0.0000000000000000, 0.0000545000000000 ] - [ -0.0000991700000000, 0.0000000000000000, -0.0003340500000000 ] - [ -0.0002849000000000, 0.0000000000000000, -0.0001589700000000 ] - [ -0.0001009300000000, -0.0000088500000000, 0.0002542100000000 ] - [ -0.0001009300000000, 0.0000088500000000, 0.0002542100000000 ] - [ 0.0001178700000000, 0.0000000000000000, 0.0002746900000000 ] - [ 0.0000225500000000, 0.0000000000000000, 0.0001466700000000 ] - [ 0.0034923500000000, -0.0008017900000000, -0.0004459700000000 ] - [ 0.0034923500000000, 0.0008017900000000, -0.0004459700000000 ] - [ -0.0004978600000000, -0.0003447600000000, -0.0000388900000000 ] - [ -0.0004978600000000, 0.0003447600000000, -0.0000388900000000 ] - [ -0.0026574800000000, 0.0000000000000000, 0.0006580100000000 ] - [ -0.0027471800000000, 0.0000000000000000, 0.0006470000000000 ] - [ 0.0036791700000000, 0.0000000000000000, -0.0012970600000000 ] - [ 0.0038160700000000, 0.0000000000000000, -0.0012836500000000 ] - [ 0.0017739600000000, -0.0000627800000000, 0.0024164600000000 ] - [ 0.0017739600000000, 0.0000627800000000, 0.0024164600000000 ] - [ 0.0010706800000000, 0.0000000000000000, -0.0032279600000000 ] - [ -0.0000156700000000, 0.0000000000000000, 0.0009538300000000 ] - [ 0.0020731100000000, -0.0000109400000000, 0.0005295600000000 ] - [ 0.0020731100000000, 0.0000109400000000, 0.0005295600000000 ] - [ 0.0015671700000000, 0.0000000000000000, 0.0001442300000000 ] - [ 0.0009400400000000, 0.0000000000000000, 0.0000911900000000 ] - [ 0.0026439200000000, 0.0000000000000000, -0.0119665500000000 ] - [ -0.0021046200000000, 0.0000000000000000, -0.0002980100000000 ] - [ 0.0002661300000000, 0.0000000000000000, -0.0021288300000000 ] - [ 0.0002489400000000, 0.0000000000000000, -0.0021734500000000 ] - [ -0.0003188100000000, 0.0002472100000000, 0.0005089400000000 ] - [ -0.0003188100000000, -0.0002472100000000, 0.0005089400000000 ] - [ -0.0073873400000000, 0.0016516200000000, 0.0014658900000000 ] - [ -0.0073873400000000, -0.0016516200000000, 0.0014658900000000 ] - [ -0.0000144500000000, 0.0000014000000000, 0.0007113300000000 ] - [ -0.0000144500000000, -0.0000014000000000, 0.0007113300000000 ]- atom: 41 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ -0.0189083900000000, 0.0000000000000000, 0.0072285300000000 ] - [ -0.0003985400000000, 0.0000000000000000, -0.0002784100000000 ] - [ 0.0005681100000000, 0.0000000000000000, -0.0013289900000000 ] - [ -0.0037564000000000, 0.0000000000000000, -0.0009132800000000 ] - [ -0.0008005700000000, -0.0002610500000000, 0.0005814500000000 ] - [ -0.0008005700000000, 0.0002610500000000, 0.0005814500000000 ] - [ 0.0028303200000000, -0.0000386000000000, -0.0007468900000000 ] - [ 0.0028303200000000, 0.0000386000000000, -0.0007468900000000 ] - [ -0.0022073400000000, 0.0000153500000000, 0.0004207500000000 ] - [ -0.0022073400000000, -0.0000153500000000, 0.0004207500000000 ] - [ -0.0018834900000000, 0.0000000000000000, -0.0011626700000000 ] - [ -0.0016232100000000, 0.0000000000000000, 0.0000293800000000 ] - [ 0.0029458500000000, 0.0000000000000000, 0.0004561800000000 ] - [ -0.0004224300000000, 0.0000000000000000, -0.0011865900000000 ] - [ -0.0023421700000000, 0.0000000000000000, -0.0004104900000000 ] - [ -0.0027911700000000, 0.0000000000000000, -0.0007299100000000 ] - [ 0.0001044600000000, 0.0019993900000000, -0.0055527700000000 ] - [ 0.0001044600000000, -0.0019993900000000, -0.0055527700000000 ] - [ -0.0037103600000000, 0.0000000000000000, 0.0043584300000000 ] - [ -0.0049236300000000, 0.0000000000000000, 0.0016912400000000 ] - [ 0.0044317400000000, -0.0000571400000000, 0.0001875300000000 ] - [ 0.0044317400000000, 0.0000571400000000, 0.0001875300000000 ] - [ -0.0021925700000000, 0.0000000000000000, 0.0000336200000000 ] - [ -0.0014612000000000, 0.0000000000000000, 0.0014942300000000 ] - [ 0.0005966400000000, -0.0001570000000000, -0.0020681700000000 ] - [ 0.0005966400000000, 0.0001570000000000, -0.0020681700000000 ] - [ -0.0023546400000000, 0.0027317100000000, 0.0017073000000000 ] - [ -0.0023546400000000, -0.0027317100000000, 0.0017073000000000 ] - [ -0.0000201600000000, 0.0000000000000000, -0.0017808200000000 ] - [ -0.0003739200000000, 0.0000000000000000, -0.0018894600000000 ] - [ -0.0037750200000000, -0.0000726100000000, 0.0030835900000000 ] - [ -0.0037750200000000, 0.0000726100000000, 0.0030835900000000 ] - [ -0.0132963400000000, 0.0000000000000000, -0.0032794900000000 ] - [ 0.0007353400000000, 0.0000000000000000, -0.0007715900000000 ] - [ 0.0000044500000000, -0.0000236400000000, 0.0032457600000000 ] - [ 0.0000044500000000, 0.0000236400000000, 0.0032457600000000 ] - [ -0.0010978200000000, 0.0000000000000000, -0.0005888300000000 ] - [ -0.0002519600000000, 0.0000000000000000, 0.0002159400000000 ] - [ 0.0013903900000000, 0.0000000000000000, -0.0031120600000000 ] - [ 0.0057187500000000, 0.0000000000000000, 0.0010502000000000 ] - [ 0.0341242800000000, 0.0000000000000000, -0.0111161500000000 ] - [ 0.0012725600000000, 0.0000000000000000, 0.0004229000000000 ] - [ 0.0003536000000000, 0.0006948400000000, 0.0005090000000000 ] - [ 0.0003536000000000, -0.0006948400000000, 0.0005090000000000 ] - [ 0.0010393600000000, -0.0000221500000000, -0.0000111800000000 ] - [ 0.0010393600000000, 0.0000221500000000, -0.0000111800000000 ] - [ -0.0005957200000000, 0.0000251900000000, -0.0001230300000000 ] - [ -0.0005957200000000, -0.0000251900000000, -0.0001230300000000 ] - [ -0.0002069100000000, 0.0000000000000000, -0.0086979100000000 ] - [ 0.0006801400000000, 0.0000000000000000, 0.0000761900000000 ] - [ -0.0012361000000000, -0.0014372200000000, 0.0007793600000000 ] - [ -0.0012361000000000, 0.0014372200000000, 0.0007793600000000 ] - [ 0.0029751000000000, 0.0000000000000000, -0.0002544700000000 ] - [ 0.0029841200000000, 0.0000000000000000, -0.0002536500000000 ] - [ -0.0007597200000000, 0.0000000000000000, -0.0004061300000000 ] - [ -0.0003176000000000, 0.0000000000000000, -0.0000508600000000 ] - [ -0.0002588400000000, -0.0026438500000000, 0.0034635900000000 ] - [ -0.0002588400000000, 0.0026438500000000, 0.0034635900000000 ] - [ 0.0039255000000000, 0.0006183500000000, -0.0016013800000000 ] - [ 0.0039255000000000, -0.0006183500000000, -0.0016013800000000 ] - [ 0.0006030800000000, 0.0000000000000000, 0.0058987000000000 ] - [ 0.0020465900000000, 0.0000000000000000, 0.0028022300000000 ] - [ 0.0001107500000000, 0.0000306200000000, 0.0000645000000000 ] - [ 0.0001107500000000, -0.0000306200000000, 0.0000645000000000 ] - [ 0.0021740300000000, 0.0000000000000000, -0.0008295400000000 ] - [ 0.0023341100000000, 0.0000000000000000, 0.0009211500000000 ] - [ -0.0009282500000000, 0.0000072600000000, 0.0002956600000000 ] - [ -0.0009282500000000, -0.0000072600000000, 0.0002956600000000 ] - [ -0.0013152400000000, 0.0000011400000000, -0.0002169800000000 ] - [ -0.0013152400000000, -0.0000011400000000, -0.0002169800000000 ] - [ 0.0002540600000000, 0.0000290800000000, -0.0014750000000000 ] - [ 0.0002540600000000, -0.0000290800000000, -0.0014750000000000 ] - [ -0.0005020100000000, 0.0000000000000000, -0.0021576500000000 ] - [ -0.0002781600000000, 0.0000000000000000, -0.0011633400000000 ] - [ -0.0053689400000000, 0.0000000000000000, -0.0008072500000000 ] - [ -0.0052624300000000, 0.0000000000000000, -0.0007957100000000 ] - [ -0.0003530700000000, 0.0000000000000000, 0.0021134400000000 ] - [ -0.0000843700000000, 0.0000000000000000, 0.0011620000000000 ] - [ -0.0002929600000000, 0.0000114800000000, 0.0003075400000000 ] - [ -0.0002929600000000, -0.0000114800000000, 0.0003075400000000 ] - [ 0.0047148200000000, 0.0001437200000000, 0.0013916800000000 ] - [ 0.0047148200000000, -0.0001437200000000, 0.0013916800000000 ] - [ 0.0005212700000000, 0.0000088300000000, 0.0005495900000000 ] - [ 0.0005212700000000, -0.0000088300000000, 0.0005495900000000 ] - [ 0.0005698300000000, 0.0000000000000000, 0.0014006600000000 ] - [ 0.0004608900000000, 0.0000000000000000, 0.0010125500000000 ] - [ 0.0010900800000000, 0.0000000000000000, 0.0002469000000000 ] - [ 0.0016841300000000, 0.0000000000000000, 0.0002036200000000 ] - [ 0.0003793000000000, 0.0000000000000000, 0.0002967000000000 ] - [ 0.0005580900000000, 0.0000000000000000, 0.0001257300000000 ] - [ -0.0012568000000000, 0.0000084200000000, -0.0001512200000000 ] - [ -0.0012568000000000, -0.0000084200000000, -0.0001512200000000 ] - [ -0.0002595500000000, 0.0000000000000000, -0.0004152800000000 ] - [ -0.0001673900000000, 0.0000000000000000, -0.0002852700000000 ] - [ 0.0030149900000000, 0.0008371600000000, 0.0001482500000000 ] - [ 0.0030149900000000, -0.0008371600000000, 0.0001482500000000 ] - [ -0.0002519000000000, 0.0003432500000000, 0.0002981600000000 ] - [ -0.0002519000000000, -0.0003432500000000, 0.0002981600000000 ] - [ -0.0034680400000000, 0.0000000000000000, 0.0004857100000000 ] - [ -0.0033783000000000, 0.0000000000000000, 0.0004964400000000 ] - [ 0.0042083700000000, 0.0000000000000000, -0.0014902300000000 ] - [ 0.0040695200000000, 0.0000000000000000, -0.0015009900000000 ] - [ 0.0012666700000000, 0.0000631600000000, 0.0021031700000000 ] - [ 0.0012666700000000, -0.0000631600000000, 0.0021031700000000 ] - [ -0.0006869000000000, 0.0000000000000000, 0.0041188300000000 ] - [ 0.0004286200000000, 0.0000000000000000, 0.0001780500000000 ] - [ 0.0008915500000000, 0.0000105200000000, 0.0001260200000000 ] - [ 0.0008915500000000, -0.0000105200000000, 0.0001260200000000 ] - [ -0.0010766000000000, 0.0000000000000000, 0.0000131100000000 ] - [ -0.0004432900000000, 0.0000000000000000, 0.0000606800000000 ] - [ -0.0037194800000000, 0.0000000000000000, 0.0118863900000000 ] - [ 0.0011215700000000, 0.0000000000000000, 0.0000357200000000 ] - [ -0.0000862200000000, 0.0000000000000000, -0.0025684800000000 ] - [ -0.0000692100000000, 0.0000000000000000, -0.0025249200000000 ] - [ -0.0002908300000000, -0.0002451400000000, -0.0029237500000000 ] - [ -0.0002908300000000, 0.0002451400000000, -0.0029237500000000 ] - [ -0.0027050000000000, -0.0016834100000000, -0.0029263400000000 ] - [ -0.0027050000000000, 0.0016834100000000, -0.0029263400000000 ] - [ -0.0003813900000000, -0.0000014900000000, -0.0003487000000000 ] - [ -0.0003813900000000, 0.0000014900000000, -0.0003487000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021625300000000, 0.0144934000000000, -0.0004756500000000 ] - [ 0.0022029900000000, -0.0096877300000000, -0.0011953000000000 ] - [ -0.0035192900000000, 0.0003863700000000, -0.0000592500000000 ] - [ -0.0035029500000000, -0.0003400900000000, -0.0000563400000000 ] - [ -0.0013588100000000, 0.0000037400000000, -0.0000053800000000 ] - [ -0.0013348300000000, -0.0000031700000000, -0.0000604700000000 ] - [ 0.0021279700000000, -0.0000020100000000, -0.0012403500000000 ] - [ 0.0022578500000000, -0.0000021100000000, -0.0011269100000000 ] - [ -0.0039283200000000, -0.0000000200000000, -0.0001630100000000 ] - [ -0.0031133100000000, -0.0000037100000000, 0.0000463300000000 ] - [ -0.0013453900000000, 0.0000825800000000, -0.0000004500000000 ] - [ -0.0013451200000000, -0.0001727000000000, -0.0000558200000000 ] - [ -0.0005394400000000, 0.0005459900000000, -0.0018268700000000 ] - [ -0.0005154600000000, -0.0004038100000000, -0.0018285400000000 ] - [ -0.0032869900000000, 0.0000203700000000, -0.0008063600000000 ] - [ -0.0032846800000000, -0.0000114500000000, -0.0007985800000000 ] - [ -0.0051895000000000, 0.0000220900000000, -0.0006414800000000 ] - [ 0.0028024000000000, -0.0000070700000000, -0.0037534600000000 ] - [ -0.0039420200000000, 0.0002357400000000, 0.0018469500000000 ] - [ -0.0039020000000000, -0.0001570200000000, 0.0018723900000000 ] - [ 0.0035483900000000, 0.0000007900000000, -0.0002969700000000 ] - [ 0.0036593000000000, -0.0000014600000000, -0.0002736800000000 ] - [ -0.0008779600000000, 0.0007983300000000, 0.0026959800000000 ] - [ -0.0008907200000000, -0.0008625100000000, 0.0026972300000000 ] - [ -0.0011750600000000, 0.0000133300000000, -0.0017664900000000 ] - [ 0.0001205200000000, 0.0000078500000000, -0.0018936000000000 ] - [ -0.0061840900000000, -0.0000333700000000, -0.0019962900000000 ] - [ -0.0004164000000000, -0.0000521300000000, 0.0003910400000000 ] - [ -0.0011869200000000, 0.0000182200000000, -0.0022031900000000 ] - [ -0.0011834100000000, -0.0000269600000000, -0.0022034600000000 ] - [ -0.0039413200000000, -0.0000036200000000, 0.0013902600000000 ] - [ -0.0038744600000000, -0.0000097300000000, 0.0023289600000000 ] - [ 0.0036179600000000, 0.0071512400000000, -0.0006914200000000 ] - [ 0.0036188800000000, -0.0115830700000000, -0.0002980500000000 ] - [ -0.0009715300000000, 0.0000002300000000, 0.0026364600000000 ] - [ -0.0008156400000000, -0.0000007100000000, 0.0027555400000000 ] - [ -0.0001205000000000, -0.0002586300000000, 0.0003701400000000 ] - [ -0.0001227400000000, 0.0001562100000000, 0.0003779800000000 ] - [ 0.0049672200000000, -0.0015132600000000, 0.0014479400000000 ] - [ 0.0049838300000000, 0.0013690500000000, 0.0014530800000000 ] - [ 0.0005274000000000, -0.0421950400000000, 0.0006156700000000 ] - [ 0.0006317400000000, 0.0012641000000000, 0.0008576400000000 ] - [ 0.0005638100000000, 0.0000220600000000, 0.0008687600000000 ] - [ 0.0006806400000000, 0.0000332900000000, 0.0009576700000000 ] - [ 0.0029665800000000, -0.0000388700000000, 0.0001772900000000 ] - [ 0.0011799200000000, -0.0000374000000000, 0.0000806000000000 ] - [ 0.0001564200000000, 0.0000009400000000, -0.0000130800000000 ] - [ 0.0001089000000000, 0.0000017100000000, -0.0000186300000000 ] - [ -0.0006307800000000, -0.0014154700000000, 0.0000608700000000 ] - [ -0.0006896200000000, 0.0004842400000000, 0.0000453600000000 ] - [ 0.0010981800000000, 0.0006511900000000, -0.0001339000000000 ] - [ -0.0012239000000000, 0.0006460400000000, -0.0000097000000000 ] - [ 0.0032480300000000, -0.0001792700000000, -0.0001499200000000 ] - [ 0.0032477400000000, 0.0001790800000000, -0.0001499200000000 ] - [ -0.0003637700000000, -0.0000215900000000, 0.0001347000000000 ] - [ -0.0003701400000000, 0.0000376600000000, 0.0001322900000000 ] - [ 0.0006497700000000, 0.0096580700000000, -0.0101035300000000 ] - [ -0.0067146200000000, 0.0095784600000000, 0.0110749700000000 ] - [ 0.0039424000000000, -0.0000572000000000, -0.0013785100000000 ] - [ 0.0039652600000000, -0.0000404600000000, -0.0014111600000000 ] - [ 0.0015069000000000, -0.0016551200000000, 0.0022601900000000 ] - [ 0.0015264300000000, 0.0015990000000000, 0.0022608600000000 ] - [ 0.0002150200000000, -0.0000000500000000, 0.0005536700000000 ] - [ 0.0002038000000000, 0.0000004100000000, 0.0005613300000000 ] - [ 0.0014926800000000, 0.0004613700000000, 0.0003770000000000 ] - [ 0.0014806700000000, 0.0007205700000000, 0.0003155400000000 ] - [ 0.0016381300000000, -0.0000160400000000, -0.0001722400000000 ] - [ -0.0011276300000000, -0.0000135400000000, 0.0003265100000000 ] - [ -0.0003908300000000, 0.0000005600000000, -0.0001175000000000 ] - [ -0.0005860800000000, 0.0000009800000000, -0.0001437600000000 ] - [ 0.0003415500000000, 0.0000143200000000, -0.0030887600000000 ] - [ -0.0001629700000000, 0.0000316900000000, -0.0016170200000000 ] - [ -0.0002977800000000, -0.0000835900000000, -0.0011984400000000 ] - [ -0.0003005700000000, -0.0000071700000000, -0.0012137400000000 ] - [ -0.0050298200000000, -0.0000271200000000, -0.0007254300000000 ] - [ -0.0050319700000000, 0.0000274200000000, -0.0007259100000000 ] - [ -0.0002055600000000, -0.0000259100000000, 0.0001928200000000 ] - [ -0.0002055200000000, 0.0000259700000000, 0.0001809700000000 ] - [ -0.0000384300000000, -0.0000012700000000, 0.0004621600000000 ] - [ -0.0002012700000000, -0.0000002700000000, 0.0002900100000000 ] - [ 0.0049889700000000, -0.0000049900000000, 0.0014533500000000 ] - [ 0.0049693500000000, 0.0000007300000000, 0.0014542800000000 ] - [ 0.0006343400000000, 0.0000012800000000, 0.0008626500000000 ] - [ 0.0006170600000000, 0.0000011700000000, 0.0008273100000000 ] - [ 0.0006200600000000, -0.0002718000000000, 0.0009078900000000 ] - [ 0.0006222800000000, 0.0003096800000000, 0.0009131000000000 ] - [ 0.0020617900000000, -0.0000102200000000, 0.0001292600000000 ] - [ 0.0020672400000000, 0.0000136800000000, 0.0001281600000000 ] - [ 0.0001322800000000, -0.0000658600000000, -0.0000172900000000 ] - [ 0.0001335900000000, 0.0001157000000000, -0.0000152500000000 ] - [ -0.0005586500000000, 0.0000017800000000, 0.0000653900000000 ] - [ -0.0007907000000000, 0.0000024400000000, 0.0000384200000000 ] - [ -0.0000684500000000, -0.0000054800000000, -0.0000689300000000 ] - [ -0.0000691200000000, 0.0000027000000000, -0.0000693900000000 ] - [ 0.0031469100000000, 0.0000216500000000, -0.0000105500000000 ] - [ 0.0033375400000000, -0.0000002400000000, -0.0002880400000000 ] - [ -0.0003859100000000, 0.0000572700000000, 0.0000917200000000 ] - [ -0.0003570800000000, 0.0000636900000000, 0.0001726900000000 ] - [ -0.0030577200000000, -0.0000407000000000, 0.0005707100000000 ] - [ -0.0030592100000000, 0.0000434500000000, 0.0005706500000000 ] - [ 0.0039484000000000, -0.0002189700000000, -0.0013955500000000 ] - [ 0.0039503200000000, 0.0002191200000000, -0.0013934700000000 ] - [ 0.0015369100000000, 0.0000015400000000, 0.0022727300000000 ] - [ 0.0015080200000000, 0.0000026500000000, 0.0022481700000000 ] - [ 0.0001973600000000, 0.0025961800000000, 0.0004490600000000 ] - [ 0.0002068800000000, 0.0012220900000000, 0.0005998200000000 ] - [ 0.0016151600000000, -0.0000010500000000, 0.0003836900000000 ] - [ 0.0013597900000000, -0.0000007000000000, 0.0002664900000000 ] - [ 0.0002544700000000, 0.0000327100000000, 0.0000796100000000 ] - [ 0.0002484200000000, 0.0000182100000000, 0.0000781700000000 ] - [ -0.0004595600000000, -0.0029825000000000, -0.0001366500000000 ] - [ -0.0005087200000000, 0.0004115100000000, -0.0001289100000000 ] - [ 0.0000887900000000, -0.0000517000000000, -0.0023476400000000 ] - [ 0.0000885900000000, 0.0000529800000000, -0.0023483900000000 ] - [ -0.0000756400000000, 0.0000408800000000, -0.0005150000000000 ] - [ -0.0005218700000000, 0.0000434000000000, -0.0018978700000000 ] - [ -0.0024160800000000, 0.0093308900000000, 0.0080623200000000 ] - [ -0.0075997600000000, 0.0092533600000000, -0.0093717200000000 ] - [ -0.0001631900000000, 0.0000000300000000, 0.0002599600000000 ] - [ -0.0002445300000000, 0.0000004600000000, 0.0001103900000000 ]- atom: 41 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0179071600000000, 0.0000000000000000, 0.1272464600000000 ] - [ -0.0057393900000000, 0.0000000000000000, 0.0141871600000000 ] - [ 0.0250942500000000, 0.0000000000000000, 0.0044200000000000 ] - [ 0.0030625300000000, 0.0000000000000000, 0.0015381300000000 ] - [ -0.0049832500000000, 0.0008852400000000, -0.0018818800000000 ] - [ -0.0049832500000000, -0.0008852400000000, -0.0018818800000000 ] - [ 0.0006441300000000, 0.0000638700000000, -0.0028169700000000 ] - [ 0.0006441300000000, -0.0000638700000000, -0.0028169700000000 ] - [ -0.0065624700000000, -0.0000373600000000, -0.0005470700000000 ] - [ -0.0065624700000000, 0.0000373600000000, -0.0005470700000000 ] - [ 0.0046747100000000, 0.0000000000000000, -0.0215384900000000 ] - [ 0.0032340100000000, 0.0000000000000000, -0.0074044900000000 ] - [ -0.0176358100000000, 0.0000000000000000, 0.0069794400000000 ] - [ -0.0051519500000000, 0.0000000000000000, 0.0030326500000000 ] - [ -0.0002026400000000, 0.0000000000000000, -0.0061221700000000 ] - [ -0.0011552100000000, 0.0000000000000000, -0.0040554500000000 ] - [ 0.0184601800000000, 0.0048925300000000, 0.0012558100000000 ] - [ 0.0184601800000000, -0.0048925300000000, 0.0012558100000000 ] - [ -0.0126318300000000, 0.0000000000000000, -0.0139806500000000 ] - [ -0.0058170800000000, 0.0000000000000000, -0.0031252800000000 ] - [ 0.0020937700000000, 0.0000431700000000, -0.0026031400000000 ] - [ 0.0020937700000000, -0.0000431700000000, -0.0026031400000000 ] - [ 0.0148300200000000, 0.0000000000000000, -0.0071549500000000 ] - [ 0.0072001400000000, 0.0000000000000000, -0.0026253200000000 ] - [ 0.0040403200000000, -0.0008987700000000, -0.0043942400000000 ] - [ 0.0040403200000000, 0.0008987700000000, -0.0043942400000000 ] - [ -0.0152053100000000, -0.0029427900000000, 0.0074937800000000 ] - [ -0.0152053100000000, 0.0029427900000000, 0.0074937800000000 ] - [ -0.0045361700000000, 0.0000000000000000, -0.0023356300000000 ] - [ -0.0036061100000000, 0.0000000000000000, -0.0024005300000000 ] - [ -0.0080661800000000, -0.0010153400000000, -0.0025429100000000 ] - [ -0.0080661800000000, 0.0010153400000000, -0.0025429100000000 ] - [ -0.0101205300000000, 0.0000000000000000, 0.0248443100000000 ] - [ 0.0113675400000000, 0.0000000000000000, 0.0141662700000000 ] - [ -0.0048355000000000, 0.0000575400000000, 0.0016093600000000 ] - [ -0.0048355000000000, -0.0000575400000000, 0.0016093600000000 ] - [ -0.0012517200000000, 0.0000000000000000, -0.0096191900000000 ] - [ -0.0003687100000000, 0.0000000000000000, -0.0044854200000000 ] - [ 0.0142538000000000, 0.0000000000000000, 0.0014601800000000 ] - [ 0.0078174800000000, 0.0000000000000000, -0.0002204500000000 ] - [ 0.0276904100000000, 0.0000000000000000, -0.2665547200000000 ] - [ 0.0013255200000000, 0.0000000000000000, -0.0270368500000000 ] - [ 0.0023811100000000, -0.0019942500000000, 0.0009611600000000 ] - [ 0.0023811100000000, 0.0019942500000000, 0.0009611600000000 ] - [ 0.0063591300000000, 0.0001393100000000, -0.0010556700000000 ] - [ 0.0063591300000000, -0.0001393100000000, -0.0010556700000000 ] - [ 0.0034846600000000, -0.0000799200000000, 0.0002321200000000 ] - [ 0.0034846600000000, 0.0000799200000000, 0.0002321200000000 ] - [ 0.0349664700000000, 0.0000000000000000, 0.0076083200000000 ] - [ 0.0044174500000000, 0.0000000000000000, 0.0004487600000000 ] - [ -0.0014005900000000, -0.0004855900000000, -0.0106381700000000 ] - [ -0.0014005900000000, 0.0004855900000000, -0.0106381700000000 ] - [ 0.0039013300000000, 0.0000000000000000, -0.0000270600000000 ] - [ 0.0038937400000000, 0.0000000000000000, -0.0000352800000000 ] - [ 0.0029029400000000, 0.0000000000000000, 0.0011603000000000 ] - [ 0.0009581500000000, 0.0000000000000000, 0.0002404800000000 ] - [ -0.0140397400000000, -0.0348627300000000, 0.0086287600000000 ] - [ -0.0140397400000000, 0.0348627300000000, 0.0086287600000000 ] - [ 0.0057169700000000, -0.0024506500000000, -0.0000723400000000 ] - [ 0.0057169700000000, 0.0024506500000000, -0.0000723400000000 ] - [ -0.0106857000000000, 0.0000000000000000, 0.0061126000000000 ] - [ -0.0021726000000000, 0.0000000000000000, 0.0037096500000000 ] - [ 0.0006902200000000, -0.0000852800000000, 0.0028367600000000 ] - [ 0.0006902200000000, 0.0000852800000000, 0.0028367600000000 ] - [ -0.0000008600000000, 0.0000000000000000, 0.0179867200000000 ] - [ 0.0002074900000000, 0.0000000000000000, 0.0037788600000000 ] - [ -0.0080278500000000, -0.0002343200000000, 0.0009169900000000 ] - [ -0.0080278500000000, 0.0002343200000000, 0.0009169900000000 ] - [ 0.0013432200000000, 0.0000052500000000, 0.0001394600000000 ] - [ 0.0013432200000000, -0.0000052500000000, 0.0001394600000000 ] - [ -0.0027274000000000, -0.0001223400000000, 0.0009111300000000 ] - [ -0.0027274000000000, 0.0001223400000000, 0.0009111300000000 ] - [ 0.0000033600000000, 0.0000000000000000, 0.0087584300000000 ] - [ -0.0003969700000000, 0.0000000000000000, 0.0037067200000000 ] - [ -0.0049981700000000, 0.0000000000000000, -0.0002822000000000 ] - [ -0.0049508000000000, 0.0000000000000000, -0.0003312200000000 ] - [ -0.0029496300000000, 0.0000000000000000, 0.0070942900000000 ] - [ -0.0009520800000000, 0.0000000000000000, 0.0033540100000000 ] - [ -0.0002308700000000, 0.0000781900000000, 0.0004819300000000 ] - [ -0.0002308700000000, -0.0000781900000000, 0.0004819300000000 ] - [ 0.0051139800000000, -0.0002197800000000, 0.0019479400000000 ] - [ 0.0051139800000000, 0.0002197800000000, 0.0019479400000000 ] - [ 0.0008347800000000, -0.0000136900000000, 0.0020509100000000 ] - [ 0.0008347800000000, 0.0000136900000000, 0.0020509100000000 ] - [ 0.0004308200000000, 0.0000000000000000, 0.0047906500000000 ] - [ -0.0001950400000000, 0.0000000000000000, 0.0026199200000000 ] - [ -0.0055949700000000, 0.0000000000000000, 0.0003997600000000 ] - [ -0.0020403600000000, 0.0000000000000000, 0.0004028600000000 ] - [ -0.0137730900000000, 0.0000000000000000, 0.0015592400000000 ] - [ -0.0072027700000000, 0.0000000000000000, 0.0007779800000000 ] - [ -0.0001721900000000, 0.0000938200000000, 0.0018122700000000 ] - [ -0.0001721900000000, -0.0000938200000000, 0.0018122700000000 ] - [ 0.0001508600000000, 0.0000000000000000, -0.0001697100000000 ] - [ 0.0000577400000000, 0.0000000000000000, 0.0000217100000000 ] - [ 0.0002974500000000, 0.0032603300000000, -0.0007234600000000 ] - [ 0.0002974500000000, -0.0032603300000000, -0.0007234600000000 ] - [ 0.0005567700000000, 0.0023833600000000, 0.0026758100000000 ] - [ 0.0005567700000000, -0.0023833600000000, 0.0026758100000000 ] - [ -0.0019838900000000, 0.0000000000000000, 0.0009049000000000 ] - [ -0.0022134400000000, 0.0000000000000000, 0.0008617900000000 ] - [ 0.0059190500000000, 0.0000000000000000, -0.0001351300000000 ] - [ 0.0045636400000000, 0.0000000000000000, -0.0006613800000000 ] - [ 0.0022810900000000, -0.0001364400000000, 0.0026186400000000 ] - [ 0.0022810900000000, 0.0001364400000000, 0.0026186400000000 ] - [ 0.0043415300000000, 0.0000000000000000, 0.0501172800000000 ] - [ -0.0007114600000000, 0.0000000000000000, 0.0082575700000000 ] - [ 0.0045901800000000, 0.0000265400000000, 0.0013187900000000 ] - [ 0.0045901800000000, -0.0000265400000000, 0.0013187900000000 ] - [ 0.0053751900000000, 0.0000000000000000, 0.0005090000000000 ] - [ 0.0029019300000000, 0.0000000000000000, -0.0000155000000000 ] - [ -0.0443181300000000, 0.0000000000000000, 0.0167211300000000 ] - [ -0.0050075400000000, 0.0000000000000000, -0.0011712900000000 ] - [ 0.0008077400000000, 0.0000000000000000, -0.0019314600000000 ] - [ 0.0007647200000000, 0.0000000000000000, -0.0020255000000000 ] - [ 0.0010699800000000, 0.0004404500000000, 0.0005679500000000 ] - [ 0.0010699800000000, -0.0004404500000000, 0.0005679500000000 ] - [ 0.0055295700000000, 0.0295290800000000, 0.0053464200000000 ] - [ 0.0055295700000000, -0.0295290800000000, 0.0053464200000000 ] - [ 0.0003424600000000, 0.0000026000000000, 0.0013037700000000 ] - [ 0.0003424600000000, -0.0000026000000000, 0.0013037700000000 ]- atom: 41 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0220771500000000, 0.0000000000000000, -0.1396186500000000 ] - [ 0.0101260500000000, 0.0000000000000000, -0.0166574800000000 ] - [ -0.0318114100000000, 0.0000000000000000, -0.0044497500000000 ] - [ -0.0100766100000000, 0.0000000000000000, -0.0016340500000000 ] - [ 0.0022864200000000, -0.0008857400000000, 0.0018064200000000 ] - [ 0.0022864200000000, 0.0008857400000000, 0.0018064200000000 ] - [ 0.0037420200000000, -0.0000647900000000, 0.0004498200000000 ] - [ 0.0037420200000000, 0.0000647900000000, 0.0004498200000000 ] - [ -0.0004485500000000, 0.0000379500000000, 0.0004360500000000 ] - [ -0.0004485500000000, -0.0000379500000000, 0.0004360500000000 ] - [ -0.0073554700000000, 0.0000000000000000, 0.0213291300000000 ] - [ -0.0059121000000000, 0.0000000000000000, 0.0073132300000000 ] - [ 0.0165321800000000, 0.0000000000000000, -0.0106721400000000 ] - [ 0.0040683400000000, 0.0000000000000000, -0.0067027800000000 ] - [ -0.0063426700000000, 0.0000000000000000, 0.0045163400000000 ] - [ -0.0054148900000000, 0.0000000000000000, 0.0024495500000000 ] - [ -0.0207308700000000, -0.0048593500000000, -0.0057796700000000 ] - [ -0.0207308700000000, 0.0048593500000000, -0.0057796700000000 ] - [ 0.0048247100000000, 0.0000000000000000, 0.0176657400000000 ] - [ -0.0020140100000000, 0.0000000000000000, 0.0068219700000000 ] - [ 0.0051202900000000, -0.0000447100000000, 0.0020314900000000 ] - [ 0.0051202900000000, 0.0000447100000000, 0.0020314900000000 ] - [ -0.0165787700000000, 0.0000000000000000, 0.0124846100000000 ] - [ -0.0089518100000000, 0.0000000000000000, 0.0079839600000000 ] - [ -0.0050470500000000, 0.0008908300000000, 0.0007021100000000 ] - [ -0.0050470500000000, -0.0008908300000000, 0.0007021100000000 ] - [ 0.0085995800000000, 0.0029750800000000, -0.0089965500000000 ] - [ 0.0085995800000000, -0.0029750800000000, -0.0089965500000000 ] - [ 0.0021555100000000, 0.0000000000000000, -0.0020659900000000 ] - [ 0.0012257700000000, 0.0000000000000000, -0.0020050800000000 ] - [ 0.0002202700000000, 0.0010055500000000, 0.0062798800000000 ] - [ 0.0002202700000000, -0.0010055500000000, 0.0062798800000000 ] - [ 0.0178007600000000, 0.0000000000000000, -0.0207137600000000 ] - [ -0.0041398600000000, 0.0000000000000000, -0.0146169700000000 ] - [ 0.0030519100000000, -0.0000576800000000, 0.0037966600000000 ] - [ 0.0030519100000000, 0.0000576800000000, 0.0037966600000000 ] - [ 0.0010433400000000, 0.0000000000000000, 0.0103410000000000 ] - [ 0.0001429500000000, 0.0000000000000000, 0.0052282200000000 ] - [ -0.0042905300000000, 0.0000000000000000, 0.0013770900000000 ] - [ 0.0021612700000000, 0.0000000000000000, 0.0031114800000000 ] - [ -0.0260798500000000, 0.0000000000000000, 0.2728429200000000 ] - [ -0.0000717300000000, 0.0000000000000000, 0.0287090400000000 ] - [ -0.0011282900000000, 0.0019990500000000, 0.0008690800000000 ] - [ -0.0011282900000000, -0.0019990500000000, 0.0008690800000000 ] - [ -0.0022227500000000, -0.0001381700000000, 0.0013052100000000 ] - [ -0.0022227500000000, 0.0001381700000000, 0.0013052100000000 ] - [ -0.0032209600000000, 0.0000799400000000, -0.0002643200000000 ] - [ -0.0032209600000000, -0.0000799400000000, -0.0002643200000000 ] - [ -0.0364984200000000, 0.0000000000000000, -0.0073283100000000 ] - [ -0.0057518700000000, 0.0000000000000000, -0.0003291600000000 ] - [ 0.0012230700000000, 0.0004550900000000, 0.0105074700000000 ] - [ 0.0012230700000000, -0.0004550900000000, 0.0105074700000000 ] - [ 0.0025992000000000, 0.0000000000000000, -0.0002743100000000 ] - [ 0.0026069200000000, 0.0000000000000000, -0.0002663200000000 ] - [ -0.0036419300000000, 0.0000000000000000, -0.0008925900000000 ] - [ -0.0016944200000000, 0.0000000000000000, 0.0000272800000000 ] - [ 0.0078855800000000, 0.0350102000000000, -0.0073982400000000 ] - [ 0.0078855800000000, -0.0350102000000000, -0.0073982400000000 ] - [ 0.0021864900000000, 0.0024536100000000, -0.0027080200000000 ] - [ 0.0021864900000000, -0.0024536100000000, -0.0027080200000000 ] - [ 0.0137459700000000, 0.0000000000000000, -0.0015922900000000 ] - [ 0.0052184900000000, 0.0000000000000000, 0.0008263800000000 ] - [ -0.0002735800000000, 0.0000856200000000, -0.0017207500000000 ] - [ -0.0002735800000000, -0.0000856200000000, -0.0017207500000000 ] - [ 0.0029772200000000, 0.0000000000000000, -0.0174366200000000 ] - [ 0.0027599300000000, 0.0000000000000000, -0.0031093500000000 ] - [ 0.0084770100000000, 0.0002358900000000, -0.0007484700000000 ] - [ 0.0084770100000000, -0.0002358900000000, -0.0007484700000000 ] - [ -0.0023329200000000, -0.0000046600000000, -0.0004015800000000 ] - [ -0.0023329200000000, 0.0000046600000000, -0.0004015800000000 ] - [ 0.0028911200000000, 0.0001350000000000, -0.0055689600000000 ] - [ 0.0028911200000000, -0.0001350000000000, -0.0055689600000000 ] - [ -0.0006069300000000, 0.0000000000000000, -0.0111514700000000 ] - [ -0.0002074700000000, 0.0000000000000000, -0.0061115800000000 ] - [ -0.0050723200000000, 0.0000000000000000, -0.0011679900000000 ] - [ -0.0051167700000000, 0.0000000000000000, -0.0011189300000000 ] - [ 0.0025322100000000, 0.0000000000000000, -0.0066574100000000 ] - [ 0.0005490500000000, 0.0000000000000000, -0.0029716500000000 ] - [ -0.0000081000000000, -0.0000772800000000, 0.0002811800000000 ] - [ -0.0000081000000000, 0.0000772800000000, 0.0002811800000000 ] - [ 0.0048377000000000, 0.0002225800000000, 0.0009588900000000 ] - [ 0.0048377000000000, -0.0002225800000000, 0.0009588900000000 ] - [ 0.0004144600000000, 0.0000143700000000, -0.0003558400000000 ] - [ 0.0004144600000000, -0.0000143700000000, -0.0003558400000000 ] - [ 0.0008135000000000, 0.0000000000000000, -0.0029322300000000 ] - [ 0.0014329600000000, 0.0000000000000000, -0.0007842900000000 ] - [ 0.0096462600000000, 0.0000000000000000, -0.0001465300000000 ] - [ 0.0061574000000000, 0.0000000000000000, -0.0001454500000000 ] - [ 0.0139641500000000, 0.0000000000000000, -0.0015794000000000 ] - [ 0.0074488000000000, 0.0000000000000000, -0.0008053400000000 ] - [ -0.0011849100000000, -0.0000931500000000, -0.0017051700000000 ] - [ -0.0011849100000000, 0.0000931500000000, -0.0017051700000000 ] - [ -0.0002910300000000, 0.0000000000000000, 0.0000226400000000 ] - [ -0.0001991300000000, 0.0000000000000000, -0.0001635600000000 ] - [ 0.0061916900000000, -0.0031782800000000, 0.0004129000000000 ] - [ 0.0061916900000000, 0.0031782800000000, 0.0004129000000000 ] - [ -0.0012891500000000, -0.0023496800000000, -0.0023943200000000 ] - [ -0.0012891500000000, 0.0023496800000000, -0.0023943200000000 ] - [ -0.0041324400000000, 0.0000000000000000, 0.0002334700000000 ] - [ -0.0039032100000000, 0.0000000000000000, 0.0002768200000000 ] - [ 0.0020038100000000, 0.0000000000000000, -0.0026502700000000 ] - [ 0.0033415500000000, 0.0000000000000000, -0.0021266500000000 ] - [ 0.0007668400000000, 0.0001372300000000, 0.0019000200000000 ] - [ 0.0007668400000000, -0.0001372300000000, 0.0019000200000000 ] - [ -0.0038982600000000, 0.0000000000000000, -0.0484661400000000 ] - [ 0.0011267100000000, 0.0000000000000000, -0.0071187800000000 ] - [ -0.0016098800000000, -0.0000262300000000, -0.0006668900000000 ] - [ -0.0016098800000000, 0.0000262300000000, -0.0006668900000000 ] - [ -0.0048692200000000, 0.0000000000000000, -0.0003561500000000 ] - [ -0.0023889100000000, 0.0000000000000000, 0.0001706900000000 ] - [ 0.0424533900000000, 0.0000000000000000, -0.0166989000000000 ] - [ 0.0040148700000000, 0.0000000000000000, 0.0008968600000000 ] - [ -0.0006287500000000, 0.0000000000000000, -0.0027669200000000 ] - [ -0.0005858300000000, 0.0000000000000000, -0.0026730000000000 ] - [ -0.0016672700000000, -0.0004419900000000, -0.0030262000000000 ] - [ -0.0016672700000000, 0.0004419900000000, -0.0030262000000000 ] - [ -0.0154970700000000, -0.0293070000000000, -0.0068955800000000 ] - [ -0.0154970700000000, 0.0293070000000000, -0.0068955800000000 ] - [ -0.0007450000000000, -0.0000021800000000, -0.0009417000000000 ] - [ -0.0007450000000000, 0.0000021800000000, -0.0009417000000000 ]- atom: 43 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0023662900000000, -0.0000132400000000, -0.0031829700000000 ] - [ -0.0023662900000000, 0.0000132400000000, -0.0031829700000000 ] - [ -0.0021640200000000, -0.0001039400000000, -0.0004834200000000 ] - [ -0.0021640200000000, 0.0001039400000000, -0.0004834200000000 ] - [ 0.0089212900000000, 0.0000000000000000, -0.0050456900000000 ] - [ 0.0013021400000000, 0.0000000000000000, 0.0007853800000000 ] - [ 0.0002474300000000, 0.0000000000000000, -0.0013464200000000 ] - [ 0.0002544700000000, 0.0000000000000000, -0.0011999600000000 ] - [ -0.0045304500000000, 0.0000000000000000, -0.0015364600000000 ] - [ -0.0042887500000000, 0.0000000000000000, -0.0009970100000000 ] - [ -0.0023589100000000, -0.0000239800000000, -0.0006635200000000 ] - [ -0.0023589100000000, 0.0000239800000000, -0.0006635200000000 ] - [ 0.0100016800000000, -0.0076824700000000, 0.0037306400000000 ] - [ 0.0100016800000000, 0.0076824700000000, 0.0037306400000000 ] - [ -0.0018756500000000, -0.0001500300000000, 0.0038579500000000 ] - [ -0.0018756500000000, 0.0001500300000000, 0.0038579500000000 ] - [ -0.0035675500000000, 0.0000000000000000, -0.0025627700000000 ] - [ -0.0034689600000000, 0.0000000000000000, -0.0025529700000000 ] - [ -0.0031299200000000, 0.0022484800000000, 0.0075421100000000 ] - [ -0.0031299200000000, -0.0022484800000000, 0.0075421100000000 ] - [ 0.0039958300000000, 0.0000000000000000, -0.0008927000000000 ] - [ 0.0037472700000000, 0.0000000000000000, 0.0009987000000000 ] - [ -0.0020200800000000, 0.0000150400000000, 0.0029624100000000 ] - [ -0.0020200800000000, -0.0000150400000000, 0.0029624100000000 ] - [ -0.0024750100000000, 0.0000000000000000, -0.0022769200000000 ] - [ -0.0023847500000000, 0.0000000000000000, -0.0022311500000000 ] - [ -0.0046904400000000, 0.0000000000000000, -0.0021997600000000 ] - [ -0.0045715800000000, 0.0000000000000000, -0.0021251300000000 ] - [ -0.0077773600000000, -0.0005043000000000, -0.0004590600000000 ] - [ -0.0077773600000000, 0.0005043000000000, -0.0004590600000000 ] - [ -0.0056689300000000, 0.0000000000000000, 0.0006568200000000 ] - [ -0.0054122000000000, 0.0000000000000000, 0.0007571500000000 ] - [ 0.0030029200000000, 0.0000279100000000, -0.0024184000000000 ] - [ 0.0030029200000000, -0.0000279100000000, -0.0024184000000000 ] - [ -0.0050887700000000, 0.0000000000000000, 0.0010300200000000 ] - [ -0.0011706800000000, 0.0000000000000000, 0.0011410300000000 ] - [ -0.0013170400000000, -0.0005887300000000, 0.0013233400000000 ] - [ -0.0013170400000000, 0.0005887300000000, 0.0013233400000000 ] - [ 0.0053966100000000, 0.0000245100000000, 0.0017212000000000 ] - [ 0.0053966100000000, -0.0000245100000000, 0.0017212000000000 ] - [ 0.0008955500000000, -0.0000589100000000, 0.0030315400000000 ] - [ 0.0008955500000000, 0.0000589100000000, 0.0030315400000000 ] - [ -0.0525954000000000, 0.0000000000000000, -0.0005970700000000 ] - [ 0.0034613300000000, 0.0000000000000000, -0.0020048300000000 ] - [ 0.0031995900000000, 0.0000000000000000, 0.0003255300000000 ] - [ 0.0030635100000000, 0.0000000000000000, 0.0002768600000000 ] - [ 0.0044659800000000, 0.0000000000000000, 0.0047667600000000 ] - [ -0.0015231700000000, 0.0000000000000000, 0.0004346800000000 ] - [ 0.0076541100000000, -0.0078700400000000, -0.0009629700000000 ] - [ 0.0076541100000000, 0.0078700400000000, -0.0009629700000000 ] - [ 0.0002425400000000, 0.0000000000000000, 0.0008865200000000 ] - [ 0.0002260100000000, 0.0000000000000000, 0.0008402400000000 ] - [ 0.0034364200000000, 0.0001474700000000, 0.0001119500000000 ] - [ 0.0034364200000000, -0.0001474700000000, 0.0001119500000000 ] - [ -0.0045058300000000, 0.0001615400000000, -0.0010069000000000 ] - [ -0.0045058300000000, -0.0001615400000000, -0.0010069000000000 ] - [ -0.0013767100000000, 0.0000000000000000, 0.0006156900000000 ] - [ -0.0014374800000000, 0.0000000000000000, 0.0006594200000000 ] - [ 0.0083204400000000, 0.0000000000000000, -0.0079197500000000 ] - [ 0.0029916200000000, 0.0000000000000000, -0.0026718200000000 ] - [ 0.0022520400000000, -0.0000127800000000, 0.0021745400000000 ] - [ 0.0022520400000000, 0.0000127800000000, 0.0021745400000000 ] - [ -0.0001205000000000, 0.0000000000000000, 0.0050673900000000 ] - [ -0.0000521400000000, 0.0000000000000000, -0.0004108300000000 ] - [ 0.0019400300000000, -0.0000335700000000, -0.0003657700000000 ] - [ 0.0019400300000000, 0.0000335700000000, -0.0003657700000000 ] - [ 0.0019569300000000, 0.0000000000000000, 0.0000499400000000 ] - [ 0.0019008000000000, 0.0000000000000000, 0.0000530700000000 ] - [ -0.0000259800000000, 0.0000000000000000, -0.0000149500000000 ] - [ -0.0002977600000000, 0.0000000000000000, -0.0001450800000000 ] - [ 0.0003783600000000, 0.0000000000000000, -0.0024117600000000 ] - [ 0.0003683200000000, 0.0000000000000000, -0.0024123000000000 ] - [ -0.0004138700000000, -0.0002093300000000, -0.0050392300000000 ] - [ -0.0004138700000000, 0.0002093300000000, -0.0050392300000000 ] - [ -0.0053664400000000, 0.0003985800000000, -0.0009425200000000 ] - [ -0.0053664400000000, -0.0003985800000000, -0.0009425200000000 ] - [ -0.0002231000000000, -0.0000075000000000, 0.0000588200000000 ] - [ -0.0002231000000000, 0.0000075000000000, 0.0000588200000000 ] - [ 0.0001024300000000, 0.0000000000000000, 0.0010345500000000 ] - [ 0.0000775500000000, 0.0000000000000000, 0.0009276000000000 ] - [ 0.0044765300000000, 0.0000000000000000, 0.0007556700000000 ] - [ 0.0046478400000000, 0.0000000000000000, 0.0007199400000000 ] - [ 0.0006768700000000, 0.0000000000000000, 0.0006562900000000 ] - [ 0.0007881500000000, 0.0000000000000000, 0.0000098600000000 ] - [ 0.0009822400000000, 0.0000234300000000, 0.0010973800000000 ] - [ 0.0009822400000000, -0.0000234300000000, 0.0010973800000000 ] - [ 0.0008192900000000, 0.0000489300000000, -0.0002861300000000 ] - [ 0.0008192900000000, -0.0000489300000000, -0.0002861300000000 ] - [ 0.0010599900000000, 0.0000010100000000, 0.0000234100000000 ] - [ 0.0010599900000000, -0.0000010100000000, 0.0000234100000000 ] - [ 0.0008585900000000, 0.0000000000000000, 0.0004337500000000 ] - [ 0.0007315800000000, 0.0000000000000000, 0.0004074900000000 ] - [ 0.0000127000000000, -0.0000285000000000, -0.0035652900000000 ] - [ 0.0000127000000000, 0.0000285000000000, -0.0035652900000000 ] - [ 0.0028527500000000, 0.0000000000000000, 0.0000191600000000 ] - [ 0.0030731800000000, 0.0000000000000000, 0.0001144100000000 ] - [ 0.0002366300000000, 0.0000000000000000, 0.0003252100000000 ] - [ 0.0001858900000000, 0.0000000000000000, 0.0003216600000000 ] - [ -0.0018951600000000, 0.0002014600000000, 0.0005715300000000 ] - [ -0.0018951600000000, -0.0002014600000000, 0.0005715300000000 ] - [ 0.0044302400000000, 0.0000618000000000, -0.0012637900000000 ] - [ 0.0044302400000000, -0.0000618000000000, -0.0012637900000000 ] - [ 0.0028462600000000, 0.0000000000000000, 0.0026496200000000 ] - [ 0.0027129900000000, 0.0000000000000000, 0.0030103600000000 ] - [ 0.0003877100000000, 0.0000031700000000, 0.0014584200000000 ] - [ 0.0003877100000000, -0.0000031700000000, 0.0014584200000000 ] - [ 0.0033427900000000, 0.0000000000000000, 0.0006813700000000 ] - [ 0.0027916700000000, 0.0000000000000000, 0.0008001800000000 ] - [ 0.0105353300000000, 0.0115931500000000, -0.0025503700000000 ] - [ 0.0105353300000000, -0.0115931500000000, -0.0025503700000000 ] - [ -0.0007170000000000, -0.0000310900000000, 0.0000549000000000 ] - [ -0.0007170000000000, 0.0000310900000000, 0.0000549000000000 ] - [ 0.0005073400000000, 0.0007091700000000, -0.0017904400000000 ] - [ 0.0005073400000000, -0.0007091700000000, -0.0017904400000000 ] - [ -0.0001232900000000, 0.0000000000000000, -0.0001256500000000 ] - [ -0.0001400800000000, 0.0000000000000000, -0.0002073900000000 ] - [ -0.0045466800000000, 0.0000000000000000, -0.0003955400000000 ] - [ -0.0045758500000000, 0.0000000000000000, -0.0004061500000000 ] - [ 0.0003674200000000, 0.0000000000000000, 0.0019317300000000 ] - [ -0.0000469100000000, 0.0000000000000000, 0.0010672500000000 ]- atom: 43 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0067273000000000, 0.0000100100000000, 0.0008091100000000 ] - [ 0.0067273000000000, -0.0000100100000000, 0.0008091100000000 ] - [ -0.0048670000000000, 0.0001054700000000, 0.0004223800000000 ] - [ -0.0048670000000000, -0.0001054700000000, 0.0004223800000000 ] - [ -0.0115973600000000, 0.0000000000000000, 0.0050391900000000 ] - [ -0.0040085200000000, 0.0000000000000000, -0.0008994700000000 ] - [ 0.0041419700000000, 0.0000000000000000, -0.0010141000000000 ] - [ 0.0041414700000000, 0.0000000000000000, -0.0011688900000000 ] - [ -0.0025052400000000, 0.0000000000000000, 0.0014303900000000 ] - [ -0.0027454600000000, 0.0000000000000000, 0.0008825200000000 ] - [ -0.0003252500000000, 0.0000245000000000, 0.0005942900000000 ] - [ -0.0003252500000000, -0.0000245000000000, 0.0005942900000000 ] - [ -0.0112357900000000, 0.0084642000000000, -0.0076282300000000 ] - [ -0.0112357900000000, -0.0084642000000000, -0.0076282300000000 ] - [ -0.0047010300000000, 0.0001458400000000, -0.0054638600000000 ] - [ -0.0047010300000000, -0.0001458400000000, -0.0054638600000000 ] - [ 0.0012018500000000, 0.0000000000000000, -0.0018279100000000 ] - [ 0.0011022100000000, 0.0000000000000000, -0.0018384000000000 ] - [ -0.0046485400000000, -0.0022338600000000, -0.0037976700000000 ] - [ -0.0046485400000000, 0.0022338600000000, -0.0037976700000000 ] - [ 0.0032018400000000, 0.0000000000000000, 0.0002921000000000 ] - [ 0.0034599600000000, 0.0000000000000000, -0.0015964600000000 ] - [ 0.0002312400000000, -0.0000141800000000, 0.0024322900000000 ] - [ 0.0002312400000000, 0.0000141800000000, 0.0024322900000000 ] - [ 0.0014270600000000, 0.0000000000000000, -0.0013772800000000 ] - [ 0.0013369100000000, 0.0000000000000000, -0.0014212600000000 ] - [ -0.0018702400000000, 0.0000000000000000, 0.0006061300000000 ] - [ -0.0019919300000000, 0.0000000000000000, 0.0005298400000000 ] - [ 0.0054255500000000, 0.0005050100000000, -0.0039422200000000 ] - [ 0.0054255500000000, -0.0005050100000000, -0.0039422200000000 ] - [ -0.0021416400000000, 0.0000000000000000, 0.0030703400000000 ] - [ -0.0023996000000000, 0.0000000000000000, 0.0029723200000000 ] - [ 0.0042096700000000, -0.0000281500000000, 0.0018439600000000 ] - [ 0.0042096700000000, 0.0000281500000000, 0.0018439600000000 ] - [ 0.0033456400000000, 0.0000000000000000, 0.0043779800000000 ] - [ -0.0006360300000000, 0.0000000000000000, 0.0042605600000000 ] - [ 0.0010768100000000, 0.0005788900000000, -0.0006353200000000 ] - [ 0.0010768100000000, -0.0005788900000000, -0.0006353200000000 ] - [ 0.0045507800000000, -0.0000250300000000, 0.0011855900000000 ] - [ 0.0045507800000000, 0.0000250300000000, 0.0011855900000000 ] - [ 0.0003530000000000, 0.0000582200000000, -0.0013461500000000 ] - [ 0.0003530000000000, -0.0000582200000000, -0.0013461500000000 ] - [ 0.0541901400000000, 0.0000000000000000, 0.0028278200000000 ] - [ -0.0021733700000000, 0.0000000000000000, 0.0039382700000000 ] - [ 0.0009424300000000, 0.0000000000000000, -0.0000656700000000 ] - [ 0.0010745900000000, 0.0000000000000000, -0.0000169900000000 ] - [ -0.0042899700000000, 0.0000000000000000, -0.0048938200000000 ] - [ 0.0018283300000000, 0.0000000000000000, -0.0004648300000000 ] - [ -0.0088915600000000, 0.0077331000000000, 0.0010641300000000 ] - [ -0.0088915600000000, -0.0077331000000000, 0.0010641300000000 ] - [ -0.0003770900000000, 0.0000000000000000, -0.0010369500000000 ] - [ -0.0003604600000000, 0.0000000000000000, -0.0009859900000000 ] - [ 0.0030661400000000, -0.0001330200000000, -0.0004131200000000 ] - [ 0.0030661400000000, 0.0001330200000000, -0.0004131200000000 ] - [ 0.0037389400000000, -0.0000991100000000, 0.0013414700000000 ] - [ 0.0037389400000000, 0.0000991100000000, 0.0013414700000000 ] - [ -0.0047519200000000, 0.0000000000000000, 0.0005232900000000 ] - [ -0.0046776800000000, 0.0000000000000000, 0.0004824400000000 ] - [ -0.0003427900000000, 0.0000000000000000, 0.0050249700000000 ] - [ 0.0048866900000000, 0.0000000000000000, -0.0001246100000000 ] - [ 0.0007888200000000, 0.0000129500000000, 0.0023439300000000 ] - [ 0.0007888200000000, -0.0000129500000000, 0.0023439300000000 ] - [ 0.0005251400000000, 0.0000000000000000, -0.0039083000000000 ] - [ 0.0004653700000000, 0.0000000000000000, 0.0015726100000000 ] - [ 0.0010271300000000, 0.0000340200000000, 0.0010135300000000 ] - [ 0.0010271300000000, -0.0000340200000000, 0.0010135300000000 ] - [ -0.0014615500000000, 0.0000000000000000, 0.0001080200000000 ] - [ -0.0014041500000000, 0.0000000000000000, 0.0001053000000000 ] - [ -0.0009536500000000, 0.0000000000000000, -0.0002511900000000 ] - [ -0.0006814400000000, 0.0000000000000000, -0.0001182900000000 ] - [ -0.0001988700000000, 0.0000000000000000, -0.0022866100000000 ] - [ -0.0001887000000000, 0.0000000000000000, -0.0022854600000000 ] - [ -0.0001897200000000, 0.0002068800000000, 0.0026049800000000 ] - [ -0.0001897200000000, -0.0002068800000000, 0.0026049800000000 ] - [ -0.0047013200000000, -0.0003987700000000, -0.0005075800000000 ] - [ -0.0047013200000000, 0.0003987700000000, -0.0005075800000000 ] - [ -0.0001745600000000, 0.0000058200000000, 0.0002955200000000 ] - [ -0.0001745600000000, -0.0000058200000000, 0.0002955200000000 ] - [ -0.0003431400000000, 0.0000000000000000, -0.0002756900000000 ] - [ -0.0003200200000000, 0.0000000000000000, -0.0001765600000000 ] - [ 0.0054691700000000, 0.0000000000000000, 0.0021537700000000 ] - [ 0.0053006500000000, 0.0000000000000000, 0.0021898300000000 ] - [ 0.0005700400000000, 0.0000000000000000, 0.0010329600000000 ] - [ 0.0004600700000000, 0.0000000000000000, 0.0016983500000000 ] - [ 0.0002547100000000, -0.0000241200000000, 0.0007172000000000 ] - [ 0.0002547100000000, 0.0000241200000000, 0.0007172000000000 ] - [ 0.0033396700000000, -0.0000511200000000, 0.0005439600000000 ] - [ 0.0033396700000000, 0.0000511200000000, 0.0005439600000000 ] - [ -0.0007873900000000, -0.0000011700000000, -0.0000545000000000 ] - [ -0.0007873900000000, 0.0000011700000000, -0.0000545000000000 ] - [ -0.0022112500000000, 0.0000000000000000, -0.0003262100000000 ] - [ -0.0020915700000000, 0.0000000000000000, -0.0003043200000000 ] - [ -0.0001468300000000, 0.0000297100000000, 0.0034395200000000 ] - [ -0.0001468300000000, -0.0000297100000000, 0.0034395200000000 ] - [ 0.0036515800000000, 0.0000000000000000, -0.0003357600000000 ] - [ 0.0034312800000000, 0.0000000000000000, -0.0004359900000000 ] - [ -0.0009864800000000, 0.0000000000000000, -0.0000611300000000 ] - [ -0.0009356500000000, 0.0000000000000000, -0.0000584100000000 ] - [ -0.0042304100000000, -0.0002000800000000, 0.0005696900000000 ] - [ -0.0042304100000000, 0.0002000800000000, 0.0005696900000000 ] - [ 0.0034583200000000, -0.0000627100000000, -0.0015276900000000 ] - [ 0.0034583200000000, 0.0000627100000000, -0.0015276900000000 ] - [ 0.0002114900000000, 0.0000000000000000, 0.0018661000000000 ] - [ 0.0003197500000000, 0.0000000000000000, 0.0015008400000000 ] - [ 0.0000242500000000, -0.0000033300000000, -0.0003243500000000 ] - [ 0.0000242500000000, 0.0000033300000000, -0.0003243500000000 ] - [ -0.0003817800000000, 0.0000000000000000, -0.0000303900000000 ] - [ 0.0001760000000000, 0.0000000000000000, -0.0001513300000000 ] - [ -0.0101393700000000, -0.0117775700000000, 0.0027377000000000 ] - [ -0.0101393700000000, 0.0117775700000000, 0.0027377000000000 ] - [ -0.0002828700000000, 0.0000286500000000, -0.0003206900000000 ] - [ -0.0002828700000000, -0.0000286500000000, -0.0003206900000000 ] - [ -0.0003300600000000, -0.0007188200000000, -0.0029096700000000 ] - [ -0.0003300600000000, 0.0007188200000000, -0.0029096700000000 ] - [ -0.0004781300000000, 0.0000000000000000, -0.0023024200000000 ] - [ -0.0004608300000000, 0.0000000000000000, -0.0022210300000000 ] - [ -0.0055196500000000, 0.0000000000000000, -0.0010564000000000 ] - [ -0.0054903700000000, 0.0000000000000000, -0.0010461600000000 ] - [ -0.0007743200000000, 0.0000000000000000, -0.0015935000000000 ] - [ -0.0003520100000000, 0.0000000000000000, -0.0007045100000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0140471100000000, 0.0003064500000000, 0.0030264700000000 ] - [ -0.0096908300000000, 0.0003235500000000, -0.0053858400000000 ] - [ -0.0041548700000000, -0.0001010300000000, 0.0137691400000000 ] - [ -0.0028101300000000, -0.0000966600000000, -0.0141380500000000 ] - [ -0.0013450600000000, 0.0138654400000000, -0.0005063400000000 ] - [ -0.0013445600000000, -0.0110332900000000, -0.0000084900000000 ] - [ 0.0021909600000000, 0.0020567200000000, -0.0011995100000000 ] - [ 0.0021950400000000, -0.0021026200000000, -0.0011924100000000 ] - [ -0.0035312500000000, 0.0000369800000000, -0.0000803400000000 ] - [ -0.0035171100000000, -0.0000370500000000, -0.0000669900000000 ] - [ -0.0011727400000000, 0.0000012900000000, 0.0003919300000000 ] - [ -0.0015384400000000, 0.0000029500000000, -0.0004820700000000 ] - [ -0.0109531800000000, 0.0388990100000000, -0.0336423000000000 ] - [ 0.0104361900000000, 0.0456615200000000, 0.0318449600000000 ] - [ -0.0051481800000000, 0.0000161400000000, 0.0010261100000000 ] - [ -0.0013589100000000, 0.0000303900000000, -0.0026780200000000 ] - [ -0.0011987600000000, 0.0010318100000000, -0.0022117300000000 ] - [ -0.0012017500000000, -0.0010567900000000, -0.0022113400000000 ] - [ 0.0000135500000000, -0.0006114500000000, -0.0059827400000000 ] - [ -0.0077236400000000, -0.0004584400000000, 0.0097546900000000 ] - [ 0.0036067300000000, 0.0007964500000000, -0.0003862200000000 ] - [ 0.0036056800000000, -0.0008305500000000, -0.0002929600000000 ] - [ 0.0003145300000000, 0.0000039200000000, 0.0029363300000000 ] - [ -0.0020676300000000, 0.0000048300000000, 0.0024355600000000 ] - [ -0.0005317500000000, 0.0000908300000000, -0.0018487700000000 ] - [ -0.0005299000000000, -0.0001080000000000, -0.0018470800000000 ] - [ -0.0033225100000000, 0.0003960400000000, -0.0008059300000000 ] - [ -0.0033198400000000, -0.0003973800000000, -0.0008048800000000 ] - [ -0.0206441200000000, -0.0004589500000000, -0.0013225800000000 ] - [ 0.0183207200000000, -0.0004344400000000, -0.0030619400000000 ] - [ -0.0039321000000000, 0.0001876400000000, 0.0018613200000000 ] - [ -0.0039251100000000, -0.0001832500000000, 0.0018643100000000 ] - [ 0.0056170900000000, 0.0000036200000000, 0.0019268400000000 ] - [ 0.0015215200000000, 0.0000062000000000, -0.0025082200000000 ] - [ -0.0009878000000000, 0.0016191100000000, 0.0027075700000000 ] - [ -0.0008939600000000, -0.0017272800000000, 0.0027087400000000 ] - [ -0.0013063000000000, -0.0003883400000000, -0.0284733800000000 ] - [ 0.0011023600000000, -0.0005137100000000, 0.0299358900000000 ] - [ 0.0046525400000000, 0.0000024000000000, 0.0013612900000000 ] - [ 0.0053171700000000, 0.0000001000000000, 0.0015488400000000 ] - [ -0.0000656800000000, 0.0000295500000000, -0.0018678300000000 ] - [ 0.0013198500000000, 0.0000263900000000, 0.0035664100000000 ] - [ 0.0002158900000000, -0.2482752800000000, -0.0009064800000000 ] - [ 0.0005995400000000, 0.0804423600000000, 0.0007764000000000 ] - [ 0.0020895100000000, -0.0000177500000000, 0.0001302900000000 ] - [ 0.0020843300000000, 0.0000193000000000, 0.0001291200000000 ] - [ 0.0002664100000000, -0.0016166100000000, 0.0000320700000000 ] - [ 0.0001298100000000, 0.0010366300000000, -0.0000198300000000 ] - [ -0.0264731200000000, 0.0084474500000000, 0.0042185700000000 ] - [ 0.0253944600000000, 0.0083905300000000, -0.0042064200000000 ] - [ -0.0000708900000000, -0.0001341100000000, -0.0000637600000000 ] - [ -0.0000705500000000, 0.0001368300000000, -0.0000634400000000 ] - [ 0.0032577200000000, 0.0000104600000000, -0.0001419800000000 ] - [ 0.0032547500000000, -0.0000076000000000, -0.0001531600000000 ] - [ -0.0023290700000000, 0.0174029800000000, 0.0168737200000000 ] - [ 0.0015789300000000, 0.0174146000000000, -0.0168405800000000 ] - [ -0.0030641600000000, -0.0049550900000000, 0.0005647100000000 ] - [ -0.0030559800000000, 0.0051874700000000, 0.0005657400000000 ] - [ 0.0038407600000000, -0.0043918900000000, -0.0013174700000000 ] - [ 0.0039469300000000, 0.0059285800000000, -0.0013922700000000 ] - [ 0.0005767200000000, 0.0000130700000000, 0.0022365600000000 ] - [ 0.0024773000000000, 0.0000115600000000, 0.0022835200000000 ] - [ 0.0001789500000000, 0.0000201700000000, 0.0007636600000000 ] - [ 0.0002085400000000, 0.0012899000000000, 0.0005466100000000 ] - [ -0.0007905300000000, -0.0000960900000000, 0.0008350400000000 ] - [ 0.0037116500000000, -0.0001006900000000, -0.0002098300000000 ] - [ 0.0002591200000000, -0.0000799600000000, 0.0000763700000000 ] - [ 0.0002597700000000, 0.0000872200000000, 0.0000761900000000 ] - [ -0.0004738500000000, -0.0000180800000000, -0.0001200700000000 ] - [ -0.0004917200000000, 0.0000211000000000, -0.0001289800000000 ] - [ 0.0000876000000000, -0.0006861900000000, -0.0023457500000000 ] - [ 0.0000878400000000, 0.0006909400000000, -0.0023465600000000 ] - [ -0.0003297600000000, 0.0000875800000000, 0.0003734100000000 ] - [ -0.0002921800000000, 0.0000715300000000, -0.0027534000000000 ] - [ -0.0044518900000000, 0.0000712200000000, -0.0008187300000000 ] - [ -0.0056379000000000, 0.0000360600000000, -0.0006165300000000 ] - [ -0.0002058200000000, 0.0000032500000000, -0.0009253600000000 ] - [ -0.0001957000000000, 0.0000023400000000, 0.0013506200000000 ] - [ -0.0001111500000000, -0.0000069200000000, 0.0003951400000000 ] - [ -0.0001123100000000, 0.0000104500000000, 0.0003902000000000 ] - [ 0.0049621400000000, -0.0018245400000000, 0.0014609400000000 ] - [ 0.0049693500000000, 0.0018204000000000, 0.0014565200000000 ] - [ 0.0006199400000000, -0.0002709600000000, 0.0008851200000000 ] - [ 0.0006235700000000, 0.0003094500000000, 0.0008667700000000 ] - [ 0.0006026200000000, 0.0000076100000000, 0.0008392400000000 ] - [ 0.0006501600000000, 0.0000058900000000, 0.0009939100000000 ] - [ 0.0032022500000000, -0.0000057800000000, -0.0010015900000000 ] - [ 0.0008401700000000, -0.0000084400000000, 0.0012771200000000 ] - [ -0.0002089600000000, -0.0000024700000000, -0.0000862800000000 ] - [ 0.0004821400000000, -0.0000027400000000, 0.0000565600000000 ] - [ -0.0006683000000000, -0.0001303400000000, 0.0000517900000000 ] - [ -0.0006740000000000, 0.0001577300000000, 0.0000501500000000 ] - [ 0.0008882400000000, -0.0001823600000000, -0.0035575700000000 ] - [ -0.0010403500000000, -0.0001885900000000, 0.0034383300000000 ] - [ 0.0032471300000000, -0.0063004400000000, -0.0001256700000000 ] - [ 0.0032471100000000, 0.0064817900000000, -0.0001229200000000 ] - [ -0.0003651700000000, -0.0002154400000000, 0.0001363100000000 ] - [ -0.0003664400000000, 0.0002124000000000, 0.0001361100000000 ] - [ -0.0004272700000000, 0.0002180400000000, 0.0007744600000000 ] - [ -0.0057159300000000, 0.0002095500000000, 0.0003625600000000 ] - [ 0.0038866500000000, 0.0000025800000000, -0.0014107000000000 ] - [ 0.0040238300000000, -0.0000004400000000, -0.0013725200000000 ] - [ 0.0015408900000000, -0.0069143700000000, 0.0022461600000000 ] - [ 0.0015245900000000, 0.0072292600000000, 0.0022506700000000 ] - [ 0.0000261400000000, 0.0000008400000000, -0.0002372700000000 ] - [ 0.0003974700000000, 0.0000006200000000, 0.0013707000000000 ] - [ 0.0015098200000000, -0.0002417000000000, 0.0003235100000000 ] - [ 0.0014954300000000, 0.0002382100000000, 0.0003251000000000 ] - [ 0.0354009100000000, 0.0138799300000000, -0.0020956300000000 ] - [ -0.0352983200000000, 0.0138597500000000, 0.0022405000000000 ] - [ -0.0020558500000000, -0.0000054900000000, -0.0011127600000000 ] - [ 0.0011294100000000, -0.0000073400000000, 0.0008655400000000 ] - [ 0.0006696800000000, 0.0001858000000000, -0.0011528900000000 ] - [ -0.0004812100000000, 0.0001493200000000, -0.0035686800000000 ] - [ -0.0003021300000000, -0.0000483200000000, -0.0012063400000000 ] - [ -0.0003024500000000, 0.0000508800000000, -0.0012080400000000 ] - [ -0.0050221600000000, -0.0012602200000000, -0.0007236900000000 ] - [ -0.0050229800000000, 0.0012553200000000, -0.0007237600000000 ] - [ -0.0001871200000000, -0.0000381900000000, 0.0002042900000000 ] - [ -0.0001958400000000, 0.0000653300000000, 0.0001861700000000 ]- atom: 43 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0021047900000000, 0.0001508500000000, 0.0002270200000000 ] - [ 0.0021047900000000, -0.0001508500000000, 0.0002270200000000 ] - [ -0.0030700000000000, 0.0006206600000000, -0.0043186200000000 ] - [ -0.0030700000000000, -0.0006206600000000, -0.0043186200000000 ] - [ -0.0027760300000000, 0.0000000000000000, -0.0123134600000000 ] - [ -0.0047258300000000, 0.0000000000000000, 0.0047305800000000 ] - [ 0.0036281500000000, 0.0000000000000000, -0.0025438200000000 ] - [ 0.0036582700000000, 0.0000000000000000, -0.0020490600000000 ] - [ -0.0052808400000000, 0.0000000000000000, -0.0008040100000000 ] - [ -0.0042707100000000, 0.0000000000000000, -0.0002979000000000 ] - [ -0.0012831700000000, -0.0000313600000000, -0.0004878500000000 ] - [ -0.0012831700000000, 0.0000313600000000, -0.0004878500000000 ] - [ -0.0009368200000000, -0.0158057600000000, 0.0256708100000000 ] - [ -0.0009368200000000, 0.0158057600000000, 0.0256708100000000 ] - [ -0.0006566000000000, -0.0003388000000000, -0.0060927700000000 ] - [ -0.0006566000000000, 0.0003388000000000, -0.0060927700000000 ] - [ -0.0011499200000000, 0.0000000000000000, -0.0021265400000000 ] - [ -0.0010898300000000, 0.0000000000000000, -0.0021083100000000 ] - [ 0.0011724300000000, -0.0049045600000000, 0.0016016100000000 ] - [ 0.0011724300000000, 0.0049045600000000, 0.0016016100000000 ] - [ 0.0034671600000000, 0.0000000000000000, -0.0093839400000000 ] - [ 0.0035948500000000, 0.0000000000000000, -0.0033024300000000 ] - [ 0.0004122800000000, -0.0000188200000000, 0.0016843900000000 ] - [ 0.0004122800000000, 0.0000188200000000, 0.0016843900000000 ] - [ -0.0004416600000000, 0.0000000000000000, -0.0024029100000000 ] - [ -0.0002841600000000, 0.0000000000000000, -0.0022560500000000 ] - [ -0.0041266200000000, 0.0000000000000000, -0.0007401600000000 ] - [ -0.0039674200000000, 0.0000000000000000, -0.0006749000000000 ] - [ 0.0074910400000000, -0.0000589500000000, -0.0022875600000000 ] - [ 0.0074910400000000, 0.0000589500000000, -0.0022875600000000 ] - [ -0.0042061900000000, 0.0000000000000000, 0.0018984300000000 ] - [ -0.0039330000000000, 0.0000000000000000, 0.0020269200000000 ] - [ 0.0020817800000000, 0.0000029300000000, -0.0003128500000000 ] - [ 0.0020817800000000, -0.0000029300000000, -0.0003128500000000 ] - [ -0.0053519000000000, 0.0000000000000000, 0.0043245200000000 ] - [ -0.0021033600000000, 0.0000000000000000, 0.0042562800000000 ] - [ 0.0006613000000000, -0.0068810100000000, 0.0034908400000000 ] - [ 0.0006613000000000, 0.0068810100000000, 0.0034908400000000 ] - [ 0.0052777000000000, 0.0000347800000000, 0.0014584100000000 ] - [ 0.0052777000000000, -0.0000347800000000, 0.0014584100000000 ] - [ 0.0008359100000000, -0.0000089800000000, -0.0000185600000000 ] - [ 0.0008359100000000, 0.0000089800000000, -0.0000185600000000 ] - [ 0.0258707000000000, 0.0000000000000000, -0.0648217100000000 ] - [ -0.0033793900000000, 0.0000000000000000, -0.0072654700000000 ] - [ 0.0028834100000000, 0.0000000000000000, 0.0001576300000000 ] - [ 0.0026479300000000, 0.0000000000000000, 0.0001064000000000 ] - [ 0.0084496900000000, 0.0000000000000000, 0.0000065500000000 ] - [ 0.0026719400000000, 0.0000000000000000, -0.0010253900000000 ] - [ -0.0004778300000000, 0.0035708200000000, -0.0032501800000000 ] - [ -0.0004778300000000, -0.0035708200000000, -0.0032501800000000 ] - [ -0.0000196500000000, 0.0000000000000000, -0.0001209200000000 ] - [ -0.0000294000000000, 0.0000000000000000, -0.0001600600000000 ] - [ 0.0034834000000000, 0.0002594300000000, -0.0000529300000000 ] - [ 0.0034834000000000, -0.0002594300000000, -0.0000529300000000 ] - [ -0.0011739100000000, 0.0148974700000000, 0.0055596100000000 ] - [ -0.0011739100000000, -0.0148974700000000, 0.0055596100000000 ] - [ -0.0029604900000000, 0.0000000000000000, 0.0003270700000000 ] - [ -0.0031467700000000, 0.0000000000000000, 0.0003112200000000 ] - [ -0.0071997600000000, 0.0000000000000000, 0.0070156400000000 ] - [ 0.0036637600000000, 0.0000000000000000, -0.0017014500000000 ] - [ 0.0013952600000000, 0.0000132400000000, 0.0022242400000000 ] - [ 0.0013952600000000, -0.0000132400000000, 0.0022242400000000 ] - [ -0.0025364800000000, 0.0000000000000000, 0.0183269500000000 ] - [ 0.0006582300000000, 0.0000000000000000, 0.0018726200000000 ] - [ -0.0006749900000000, 0.0001675300000000, -0.0004435800000000 ] - [ -0.0006749900000000, -0.0001675300000000, -0.0004435800000000 ] - [ 0.0003020700000000, 0.0000000000000000, 0.0000912800000000 ] - [ 0.0002245500000000, 0.0000000000000000, 0.0000877600000000 ] - [ 0.0013550200000000, 0.0000000000000000, 0.0006635900000000 ] - [ -0.0000850300000000, 0.0000000000000000, 0.0001460700000000 ] - [ -0.0001723400000000, 0.0000000000000000, -0.0022550500000000 ] - [ -0.0001758500000000, 0.0000000000000000, -0.0022628400000000 ] - [ -0.0008896700000000, 0.0005399900000000, 0.0024256100000000 ] - [ -0.0008896700000000, -0.0005399900000000, 0.0024256100000000 ] - [ -0.0058559000000000, 0.0010852600000000, 0.0002043200000000 ] - [ -0.0058559000000000, -0.0010852600000000, 0.0002043200000000 ] - [ -0.0003473800000000, -0.0000475400000000, 0.0017052900000000 ] - [ -0.0003473800000000, 0.0000475400000000, 0.0017052900000000 ] - [ 0.0000092800000000, 0.0000000000000000, 0.0010235700000000 ] - [ -0.0000800500000000, 0.0000000000000000, 0.0007978200000000 ] - [ 0.0039345400000000, 0.0000000000000000, 0.0025736200000000 ] - [ 0.0044865400000000, 0.0000000000000000, 0.0022353400000000 ] - [ 0.0001733000000000, 0.0000000000000000, 0.0045311700000000 ] - [ 0.0004545200000000, 0.0000000000000000, 0.0029203300000000 ] - [ 0.0005999800000000, 0.0000562000000000, 0.0010216500000000 ] - [ 0.0005999800000000, -0.0000562000000000, 0.0010216500000000 ] - [ -0.0000614000000000, -0.0000697100000000, 0.0010919000000000 ] - [ -0.0000614000000000, 0.0000697100000000, 0.0010919000000000 ] - [ -0.0001172700000000, 0.0000026000000000, 0.0000021000000000 ] - [ -0.0001172700000000, -0.0000026000000000, 0.0000021000000000 ] - [ -0.0009717700000000, 0.0000000000000000, -0.0000115500000000 ] - [ -0.0011746400000000, 0.0000000000000000, -0.0000780700000000 ] - [ -0.0005658900000000, -0.0000448500000000, 0.0029292800000000 ] - [ -0.0005658900000000, 0.0000448500000000, 0.0029292800000000 ] - [ 0.0032039500000000, 0.0000000000000000, 0.0011633700000000 ] - [ 0.0030850900000000, 0.0000000000000000, 0.0008246600000000 ] - [ -0.0003213800000000, 0.0000000000000000, 0.0002336500000000 ] - [ -0.0003803200000000, 0.0000000000000000, 0.0002127500000000 ] - [ -0.0046170100000000, 0.0001529700000000, 0.0005325700000000 ] - [ -0.0046170100000000, -0.0001529700000000, 0.0005325700000000 ] - [ 0.0039825000000000, 0.0000739600000000, -0.0014017500000000 ] - [ 0.0039825000000000, -0.0000739600000000, -0.0014017500000000 ] - [ 0.0002513700000000, 0.0000000000000000, 0.0009847500000000 ] - [ 0.0001246200000000, 0.0000000000000000, 0.0012450000000000 ] - [ 0.0002875300000000, 0.0000038500000000, 0.0011123700000000 ] - [ 0.0002875300000000, -0.0000038500000000, 0.0011123700000000 ] - [ 0.0020929600000000, 0.0000000000000000, -0.0000888500000000 ] - [ 0.0015910500000000, 0.0000000000000000, -0.0000291000000000 ] - [ -0.0134517200000000, -0.0072473600000000, -0.0010099900000000 ] - [ -0.0134517200000000, 0.0072473600000000, -0.0010099900000000 ] - [ 0.0010021900000000, -0.0000168600000000, 0.0001551100000000 ] - [ 0.0010021900000000, 0.0000168600000000, 0.0001551100000000 ] - [ 0.0002222000000000, 0.0006766200000000, -0.0037031400000000 ] - [ 0.0002222000000000, -0.0006766200000000, -0.0037031400000000 ] - [ -0.0002256800000000, 0.0000000000000000, -0.0012297200000000 ] - [ -0.0002491000000000, 0.0000000000000000, -0.0013056700000000 ] - [ -0.0046681000000000, 0.0000000000000000, -0.0007078300000000 ] - [ -0.0047075600000000, 0.0000000000000000, -0.0007126300000000 ] - [ 0.0001805700000000, 0.0000000000000000, 0.0004111700000000 ] - [ -0.0001337100000000, 0.0000000000000000, -0.0001615700000000 ]- atom: 43 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0023132500000000, -0.0001506500000000, -0.0025804700000000 ] - [ 0.0023132500000000, 0.0001506500000000, -0.0025804700000000 ] - [ -0.0039735700000000, -0.0006173500000000, 0.0042449200000000 ] - [ -0.0039735700000000, 0.0006173500000000, 0.0042449200000000 ] - [ -0.0001589700000000, 0.0000000000000000, 0.0116679000000000 ] - [ 0.0020333500000000, 0.0000000000000000, -0.0048482600000000 ] - [ 0.0007542800000000, 0.0000000000000000, 0.0002064800000000 ] - [ 0.0007287700000000, 0.0000000000000000, -0.0003073300000000 ] - [ -0.0017211100000000, 0.0000000000000000, 0.0007009700000000 ] - [ -0.0027491900000000, 0.0000000000000000, 0.0001888200000000 ] - [ -0.0013999700000000, 0.0000321500000000, 0.0004214800000000 ] - [ -0.0013999700000000, -0.0000321500000000, 0.0004214800000000 ] - [ 0.0000168800000000, 0.0159333900000000, -0.0296745900000000 ] - [ 0.0000168800000000, -0.0159333900000000, -0.0296745900000000 ] - [ -0.0059353600000000, 0.0003424200000000, 0.0045125200000000 ] - [ -0.0059353600000000, -0.0003424200000000, 0.0045125200000000 ] - [ -0.0011914200000000, 0.0000000000000000, -0.0022661600000000 ] - [ -0.0012517800000000, 0.0000000000000000, -0.0022855100000000 ] - [ -0.0089937300000000, 0.0049522800000000, 0.0020784600000000 ] - [ -0.0089937300000000, -0.0049522800000000, 0.0020784600000000 ] - [ 0.0037460200000000, 0.0000000000000000, 0.0089174600000000 ] - [ 0.0036178100000000, 0.0000000000000000, 0.0027336600000000 ] - [ -0.0022047800000000, 0.0000203800000000, 0.0037054000000000 ] - [ -0.0022047800000000, -0.0000203800000000, 0.0037054000000000 ] - [ -0.0005960900000000, 0.0000000000000000, -0.0012434300000000 ] - [ -0.0007549500000000, 0.0000000000000000, -0.0013897400000000 ] - [ -0.0024231400000000, 0.0000000000000000, -0.0008465900000000 ] - [ -0.0025849200000000, 0.0000000000000000, -0.0009133300000000 ] - [ -0.0098940900000000, 0.0000574400000000, -0.0021063100000000 ] - [ -0.0098940900000000, -0.0000574400000000, -0.0021063100000000 ] - [ -0.0036008200000000, 0.0000000000000000, 0.0018318200000000 ] - [ -0.0038742100000000, 0.0000000000000000, 0.0017048300000000 ] - [ 0.0051273300000000, -0.0000033700000000, -0.0002385500000000 ] - [ 0.0051273300000000, 0.0000033700000000, -0.0002385500000000 ] - [ 0.0036086500000000, 0.0000000000000000, 0.0010700600000000 ] - [ 0.0003156400000000, 0.0000000000000000, 0.0011364600000000 ] - [ -0.0008746400000000, 0.0068163800000000, -0.0027488500000000 ] - [ -0.0008746400000000, -0.0068163800000000, -0.0027488500000000 ] - [ 0.0046679200000000, -0.0000356700000000, 0.0014470100000000 ] - [ 0.0046679200000000, 0.0000356700000000, 0.0014470100000000 ] - [ 0.0004114500000000, 0.0000095900000000, 0.0016781000000000 ] - [ 0.0004114500000000, -0.0000095900000000, 0.0016781000000000 ] - [ -0.0248012000000000, 0.0000000000000000, 0.0682355700000000 ] - [ 0.0045894200000000, 0.0000000000000000, 0.0091936100000000 ] - [ 0.0012429000000000, 0.0000000000000000, 0.0001018100000000 ] - [ 0.0014757200000000, 0.0000000000000000, 0.0001530500000000 ] - [ -0.0082704400000000, 0.0000000000000000, -0.0000189200000000 ] - [ -0.0024000800000000, 0.0000000000000000, 0.0009992700000000 ] - [ -0.0009278700000000, -0.0035557800000000, 0.0033935700000000 ] - [ -0.0009278700000000, 0.0035557800000000, 0.0033935700000000 ] - [ -0.0001166900000000, 0.0000000000000000, -0.0000348700000000 ] - [ -0.0001065100000000, 0.0000000000000000, 0.0000087600000000 ] - [ 0.0030116000000000, -0.0002482500000000, -0.0002479700000000 ] - [ 0.0030116000000000, 0.0002482500000000, -0.0002479700000000 ] - [ 0.0004191200000000, -0.0150371000000000, -0.0053012900000000 ] - [ 0.0004191200000000, 0.0150371000000000, -0.0053012900000000 ] - [ -0.0031800300000000, 0.0000000000000000, 0.0008146800000000 ] - [ -0.0029856200000000, 0.0000000000000000, 0.0008306200000000 ] - [ 0.0153693600000000, 0.0000000000000000, -0.0100122700000000 ] - [ 0.0042256600000000, 0.0000000000000000, -0.0010821300000000 ] - [ 0.0016375000000000, -0.0000131100000000, 0.0022980500000000 ] - [ 0.0016375000000000, 0.0000131100000000, 0.0022980500000000 ] - [ 0.0030265900000000, 0.0000000000000000, -0.0174708000000000 ] - [ -0.0002447000000000, 0.0000000000000000, -0.0007301700000000 ] - [ 0.0036543800000000, -0.0001696200000000, 0.0011094800000000 ] - [ 0.0036543800000000, 0.0001696200000000, 0.0011094800000000 ] - [ 0.0001784600000000, 0.0000000000000000, 0.0000693300000000 ] - [ 0.0002578100000000, 0.0000000000000000, 0.0000738700000000 ] - [ -0.0023730700000000, 0.0000000000000000, -0.0009427500000000 ] - [ -0.0009000200000000, 0.0000000000000000, -0.0004117500000000 ] - [ 0.0003513600000000, 0.0000000000000000, -0.0024398400000000 ] - [ 0.0003554000000000, 0.0000000000000000, -0.0024308000000000 ] - [ 0.0002917600000000, -0.0005471400000000, -0.0048592400000000 ] - [ 0.0002917600000000, 0.0005471400000000, -0.0048592400000000 ] - [ -0.0042042900000000, -0.0011024900000000, -0.0016639500000000 ] - [ -0.0042042900000000, 0.0011024900000000, -0.0016639500000000 ] - [ -0.0000492900000000, 0.0000463900000000, -0.0013442900000000 ] - [ -0.0000492900000000, -0.0000463900000000, -0.0013442900000000 ] - [ -0.0002529200000000, 0.0000000000000000, -0.0002748600000000 ] - [ -0.0001641900000000, 0.0000000000000000, -0.0000554700000000 ] - [ 0.0060252500000000, 0.0000000000000000, 0.0003248000000000 ] - [ 0.0054664700000000, 0.0000000000000000, 0.0006693800000000 ] - [ 0.0010786100000000, 0.0000000000000000, -0.0028901000000000 ] - [ 0.0007952000000000, 0.0000000000000000, -0.0012337100000000 ] - [ 0.0006365600000000, -0.0000580000000000, 0.0007922200000000 ] - [ 0.0006365600000000, 0.0000580000000000, 0.0007922200000000 ] - [ 0.0042235500000000, 0.0000673000000000, -0.0008360000000000 ] - [ 0.0042235500000000, -0.0000673000000000, -0.0008360000000000 ] - [ 0.0003912300000000, -0.0000029000000000, -0.0000329200000000 ] - [ 0.0003912300000000, 0.0000029000000000, -0.0000329200000000 ] - [ -0.0003835800000000, 0.0000000000000000, 0.0001186500000000 ] - [ -0.0001862700000000, 0.0000000000000000, 0.0001819800000000 ] - [ 0.0004353000000000, 0.0000423700000000, -0.0030819300000000 ] - [ 0.0004353000000000, -0.0000423700000000, -0.0030819300000000 ] - [ 0.0033012000000000, 0.0000000000000000, -0.0014743100000000 ] - [ 0.0034161400000000, 0.0000000000000000, -0.0011401500000000 ] - [ -0.0004283400000000, 0.0000000000000000, 0.0000292500000000 ] - [ -0.0003693600000000, 0.0000000000000000, 0.0000498100000000 ] - [ -0.0014945100000000, -0.0001515600000000, 0.0006051500000000 ] - [ -0.0014945100000000, 0.0001515600000000, 0.0006051500000000 ] - [ 0.0039046800000000, -0.0000750600000000, -0.0013900000000000 ] - [ 0.0039046800000000, 0.0000750600000000, -0.0013900000000000 ] - [ 0.0028046500000000, 0.0000000000000000, 0.0035363700000000 ] - [ 0.0029181100000000, 0.0000000000000000, 0.0032760600000000 ] - [ 0.0001241100000000, -0.0000041100000000, 0.0000152800000000 ] - [ 0.0001241100000000, 0.0000041100000000, 0.0000152800000000 ] - [ 0.0008669800000000, 0.0000000000000000, 0.0007401300000000 ] - [ 0.0013726800000000, 0.0000000000000000, 0.0006801900000000 ] - [ 0.0139628100000000, 0.0072002200000000, 0.0011376200000000 ] - [ 0.0139628100000000, -0.0072002200000000, 0.0011376200000000 ] - [ -0.0019859000000000, 0.0000152700000000, -0.0004223600000000 ] - [ -0.0019859000000000, -0.0000152700000000, -0.0004223600000000 ] - [ -0.0000457400000000, -0.0006852600000000, -0.0009882500000000 ] - [ -0.0000457400000000, 0.0006852600000000, -0.0009882500000000 ] - [ -0.0003759400000000, 0.0000000000000000, -0.0012008400000000 ] - [ -0.0003514000000000, 0.0000000000000000, -0.0011254800000000 ] - [ -0.0054017000000000, 0.0000000000000000, -0.0007467400000000 ] - [ -0.0053617700000000, 0.0000000000000000, -0.0007421200000000 ] - [ -0.0005859000000000, 0.0000000000000000, -0.0000600800000000 ] - [ -0.0002675200000000, 0.0000000000000000, 0.0005283200000000 ]- atom: 45 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0016004500000000, -0.0013083900000000, -0.0072930900000000 ] - [ -0.0016004500000000, 0.0013083900000000, -0.0072930900000000 ] - [ -0.0112798900000000, -0.0001633200000000, -0.0026153400000000 ] - [ -0.0112798900000000, 0.0001633200000000, -0.0026153400000000 ] - [ -0.0058250500000000, 0.0000000000000000, -0.0052887200000000 ] - [ -0.0042662300000000, 0.0000000000000000, -0.0038062900000000 ] - [ 0.0042151300000000, 0.0000000000000000, 0.0064724500000000 ] - [ 0.0041925300000000, 0.0000000000000000, 0.0035563300000000 ] - [ 0.0142940800000000, 0.0000000000000000, 0.0016780400000000 ] - [ 0.0034365500000000, 0.0000000000000000, 0.0021359800000000 ] - [ -0.0021218500000000, -0.0006872600000000, 0.0070852300000000 ] - [ -0.0021218500000000, 0.0006872600000000, 0.0070852300000000 ] - [ -0.0056026200000000, 0.0001849800000000, -0.0049605900000000 ] - [ -0.0056026200000000, -0.0001849800000000, -0.0049605900000000 ] - [ -0.0100366200000000, 0.0009401800000000, -0.0026835000000000 ] - [ -0.0100366200000000, -0.0009401800000000, -0.0026835000000000 ] - [ 0.0075065100000000, 0.0000000000000000, -0.0231839500000000 ] - [ 0.0038732000000000, 0.0000000000000000, -0.0058572600000000 ] - [ -0.0089296600000000, 0.0002137200000000, -0.0023336300000000 ] - [ -0.0089296600000000, -0.0002137200000000, -0.0023336300000000 ] - [ -0.0158158600000000, 0.0000000000000000, 0.0009573000000000 ] - [ -0.0045995400000000, 0.0000000000000000, 0.0003402600000000 ] - [ -0.0034214800000000, -0.0007205800000000, 0.0014027500000000 ] - [ -0.0034214800000000, 0.0007205800000000, 0.0014027500000000 ] - [ 0.0089674700000000, 0.0000000000000000, 0.0196597300000000 ] - [ 0.0047658500000000, 0.0000000000000000, 0.0072238300000000 ] - [ 0.2811460300000000, 0.0000000000000000, -0.0301895800000000 ] - [ 0.0167757600000000, 0.0000000000000000, -0.0002100700000000 ] - [ -0.0032938700000000, 0.0004803600000000, -0.0038818200000000 ] - [ -0.0032938700000000, -0.0004803600000000, -0.0038818200000000 ] - [ 0.0021433600000000, 0.0000000000000000, 0.0309480400000000 ] - [ 0.0017841200000000, 0.0000000000000000, 0.0103156300000000 ] - [ -0.0073878800000000, -0.0116910100000000, 0.0003616200000000 ] - [ -0.0073878800000000, 0.0116910100000000, 0.0003616200000000 ] - [ 0.0017081900000000, 0.0000000000000000, -0.0130445500000000 ] - [ 0.0017313600000000, 0.0000000000000000, -0.0021043100000000 ] - [ 0.0008172600000000, 0.0000013100000000, 0.0031403800000000 ] - [ 0.0008172600000000, -0.0000013100000000, 0.0031403800000000 ] - [ 0.0089374000000000, 0.0302108600000000, 0.0022200200000000 ] - [ 0.0089374000000000, -0.0302108600000000, 0.0022200200000000 ] - [ 0.0016721900000000, 0.0008943800000000, 0.0064120300000000 ] - [ 0.0016721900000000, -0.0008943800000000, 0.0064120300000000 ] - [ 0.0017515900000000, 0.0000000000000000, 0.0025334100000000 ] - [ 0.0016178700000000, 0.0000000000000000, 0.0021803500000000 ] - [ -0.4144628600000000, 0.0000000000000000, 0.0251142400000000 ] - [ -0.0178396700000000, 0.0000000000000000, 0.0009714000000000 ] - [ 0.0044283400000000, 0.0000000000000000, 0.0007111100000000 ] - [ 0.0019763400000000, 0.0000000000000000, 0.0004192100000000 ] - [ 0.0037162800000000, 0.0000192900000000, 0.0019305500000000 ] - [ 0.0037162800000000, -0.0000192900000000, 0.0019305500000000 ] - [ 0.0068277700000000, 0.0000000000000000, 0.0401405700000000 ] - [ -0.0011710700000000, 0.0000000000000000, 0.0044880100000000 ] - [ 0.0137622900000000, -0.0280502200000000, -0.0000552500000000 ] - [ 0.0137622900000000, 0.0280502200000000, -0.0000552500000000 ] - [ 0.0016414900000000, -0.0004979800000000, 0.0015434900000000 ] - [ 0.0016414900000000, 0.0004979800000000, 0.0015434900000000 ] - [ -0.0010711800000000, 0.0000000000000000, 0.0023430400000000 ] - [ -0.0031928800000000, 0.0000000000000000, 0.0014479400000000 ] - [ 0.0059691900000000, 0.0000000000000000, -0.0006551100000000 ] - [ 0.0055324400000000, 0.0000000000000000, -0.0007711100000000 ] - [ 0.0018618900000000, 0.0019269500000000, 0.0034072000000000 ] - [ 0.0018618900000000, -0.0019269500000000, 0.0034072000000000 ] - [ 0.0014589700000000, 0.0000000000000000, 0.0066361200000000 ] - [ 0.0009835000000000, 0.0000000000000000, 0.0043268500000000 ] - [ 0.0051830100000000, 0.0001268700000000, 0.0020146700000000 ] - [ 0.0051830100000000, -0.0001268700000000, 0.0020146700000000 ] - [ -0.0155656400000000, 0.0000000000000000, 0.0002479000000000 ] - [ -0.0067332700000000, 0.0000000000000000, -0.0000190400000000 ] - [ 0.0409481600000000, 0.0000000000000000, 0.0026460800000000 ] - [ 0.0080853900000000, 0.0000000000000000, -0.0002590700000000 ] - [ 0.0006512800000000, 0.0000000000000000, 0.0000551300000000 ] - [ 0.0003904600000000, 0.0000000000000000, -0.0017473300000000 ] - [ 0.0004248300000000, -0.0000847400000000, 0.0015672200000000 ] - [ 0.0004248300000000, 0.0000847400000000, 0.0015672200000000 ] - [ -0.0018852800000000, -0.0017328700000000, -0.0005902200000000 ] - [ -0.0018852800000000, 0.0017328700000000, -0.0005902200000000 ] - [ 0.0005362700000000, 0.0000635900000000, 0.0011175300000000 ] - [ 0.0005362700000000, -0.0000635900000000, 0.0011175300000000 ] - [ 0.0055975100000000, 0.0000000000000000, -0.0288417700000000 ] - [ -0.0012421100000000, 0.0000000000000000, -0.0086959100000000 ] - [ 0.0096727800000000, 0.0000000000000000, 0.0019098400000000 ] - [ 0.0072227900000000, 0.0000000000000000, 0.0017751000000000 ] - [ 0.0016045400000000, 0.0000000000000000, -0.0074736700000000 ] - [ 0.0010199900000000, 0.0000000000000000, -0.0036898200000000 ] - [ -0.0006506300000000, -0.0011879500000000, -0.0022988300000000 ] - [ -0.0006506300000000, 0.0011879500000000, -0.0022988300000000 ] - [ 0.0075396500000000, -0.0000676000000000, 0.0001940400000000 ] - [ 0.0075396500000000, 0.0000676000000000, 0.0001940400000000 ] - [ 0.0013433000000000, 0.0001165800000000, -0.0003848400000000 ] - [ 0.0013433000000000, -0.0001165800000000, -0.0003848400000000 ] - [ -0.0012975400000000, 0.0000000000000000, -0.0059138000000000 ] - [ -0.0025035500000000, 0.0000000000000000, -0.0031553400000000 ] - [ 0.0004973000000000, -0.0001085400000000, 0.0008182500000000 ] - [ 0.0004973000000000, 0.0001085400000000, 0.0008182500000000 ] - [ 0.0049439900000000, 0.0000000000000000, 0.0004517100000000 ] - [ 0.0048793900000000, 0.0000000000000000, 0.0004179000000000 ] - [ 0.0002345600000000, 0.0000000000000000, -0.0035282200000000 ] - [ -0.0011530600000000, 0.0000000000000000, -0.0023928600000000 ] - [ -0.0029924800000000, -0.0003836300000000, -0.0001177400000000 ] - [ -0.0029924800000000, 0.0003836300000000, -0.0001177400000000 ] - [ 0.0038521700000000, 0.0028718200000000, -0.0034653500000000 ] - [ 0.0038521700000000, -0.0028718200000000, -0.0034653500000000 ] - [ 0.0013667500000000, 0.0000000000000000, 0.0037048200000000 ] - [ 0.0013599300000000, 0.0000000000000000, 0.0028915300000000 ] - [ 0.0012729200000000, 0.0008715600000000, -0.0059252700000000 ] - [ 0.0012729200000000, -0.0008715600000000, -0.0059252700000000 ] - [ -0.0108005900000000, 0.0000000000000000, -0.0022170200000000 ] - [ -0.0046297400000000, 0.0000000000000000, -0.0010893800000000 ] - [ 0.0034144100000000, -0.0000701800000000, 0.0004814200000000 ] - [ 0.0034144100000000, 0.0000701800000000, 0.0004814200000000 ] - [ 0.0073597800000000, 0.0007956000000000, -0.0001257500000000 ] - [ 0.0073597800000000, -0.0007956000000000, -0.0001257500000000 ] - [ -0.0005537100000000, -0.0016840200000000, -0.0006929200000000 ] - [ -0.0005537100000000, 0.0016840200000000, -0.0006929200000000 ] - [ 0.0021256200000000, 0.0000000000000000, -0.0491442600000000 ] - [ -0.0016423800000000, 0.0000000000000000, -0.0081705000000000 ] - [ 0.0276620300000000, 0.0000000000000000, 0.0007165600000000 ] - [ -0.0055455000000000, 0.0000000000000000, -0.0009369400000000 ] - [ 0.0074043400000000, 0.0000000000000000, 0.0251392000000000 ] - [ -0.0010500000000000, 0.0000000000000000, 0.0052857300000000 ]- atom: 45 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0059252600000000, 0.0012826900000000, 0.0048973300000000 ] - [ 0.0059252600000000, -0.0012826900000000, 0.0048973300000000 ] - [ 0.0042033100000000, 0.0001553000000000, 0.0024740700000000 ] - [ 0.0042033100000000, -0.0001553000000000, 0.0024740700000000 ] - [ 0.0031194300000000, 0.0000000000000000, 0.0051560300000000 ] - [ 0.0015632400000000, 0.0000000000000000, 0.0036968400000000 ] - [ 0.0002087800000000, 0.0000000000000000, -0.0087057100000000 ] - [ 0.0002295600000000, 0.0000000000000000, -0.0058556400000000 ] - [ -0.0172730500000000, 0.0000000000000000, -0.0016080800000000 ] - [ -0.0103715300000000, 0.0000000000000000, -0.0022242200000000 ] - [ -0.0005822300000000, 0.0006745500000000, -0.0071247200000000 ] - [ -0.0005822300000000, -0.0006745500000000, -0.0071247200000000 ] - [ 0.0045072400000000, -0.0001835200000000, 0.0012707600000000 ] - [ 0.0045072400000000, 0.0001835200000000, 0.0012707600000000 ] - [ 0.0033914500000000, -0.0009311000000000, 0.0010744600000000 ] - [ 0.0033914500000000, 0.0009311000000000, 0.0010744600000000 ] - [ -0.0098663000000000, 0.0000000000000000, 0.0183925500000000 ] - [ -0.0062268700000000, 0.0000000000000000, 0.0013970400000000 ] - [ 0.0010499600000000, -0.0002105400000000, 0.0060148900000000 ] - [ 0.0010499600000000, 0.0002105400000000, 0.0060148900000000 ] - [ 0.0227250100000000, 0.0000000000000000, -0.0015005200000000 ] - [ 0.0117295500000000, 0.0000000000000000, -0.0008972900000000 ] - [ 0.0016072300000000, 0.0007097800000000, 0.0039473900000000 ] - [ 0.0016072300000000, -0.0007097800000000, 0.0039473900000000 ] - [ -0.0098521100000000, 0.0000000000000000, -0.0231974000000000 ] - [ -0.0057418600000000, 0.0000000000000000, -0.0108139700000000 ] - [ -0.3091604800000000, 0.0000000000000000, 0.0312724100000000 ] - [ -0.0233739300000000, 0.0000000000000000, -0.0013568800000000 ] - [ 0.0009062800000000, -0.0004766700000000, -0.0005229700000000 ] - [ 0.0009062800000000, 0.0004766700000000, -0.0005229700000000 ] - [ -0.0099444400000000, 0.0000000000000000, -0.0268368400000000 ] - [ -0.0095584000000000, 0.0000000000000000, -0.0064939600000000 ] - [ 0.0145308600000000, 0.0117304000000000, -0.0009203500000000 ] - [ 0.0145308600000000, -0.0117304000000000, -0.0009203500000000 ] - [ -0.0034049000000000, 0.0000000000000000, 0.0183843800000000 ] - [ -0.0034633900000000, 0.0000000000000000, 0.0074666300000000 ] - [ -0.0010553300000000, 0.0000002900000000, -0.0023576000000000 ] - [ -0.0010553300000000, -0.0000002900000000, -0.0023576000000000 ] - [ 0.0011015700000000, -0.0303513600000000, 0.0006618300000000 ] - [ 0.0011015700000000, 0.0303513600000000, 0.0006618300000000 ] - [ -0.0004021800000000, -0.0008918400000000, -0.0047271500000000 ] - [ -0.0004021800000000, 0.0008918400000000, -0.0047271500000000 ] - [ -0.0005016300000000, 0.0000000000000000, -0.0006869400000000 ] - [ -0.0003697200000000, 0.0000000000000000, -0.0003426900000000 ] - [ 0.4350471700000000, 0.0000000000000000, -0.0276631000000000 ] - [ 0.0218929200000000, 0.0000000000000000, -0.0007196100000000 ] - [ -0.0041657700000000, 0.0000000000000000, -0.0007453600000000 ] - [ -0.0017164300000000, 0.0000000000000000, -0.0004440500000000 ] - [ -0.0050145400000000, -0.0000186300000000, -0.0018112100000000 ] - [ -0.0050145400000000, 0.0000186300000000, -0.0018112100000000 ] - [ -0.0067945300000000, 0.0000000000000000, -0.0400838600000000 ] - [ 0.0010387600000000, 0.0000000000000000, -0.0045998800000000 ] - [ -0.0071966200000000, 0.0274510000000000, -0.0002375000000000 ] - [ -0.0071966200000000, -0.0274510000000000, -0.0002375000000000 ] - [ -0.0023628600000000, 0.0004882300000000, -0.0012592300000000 ] - [ -0.0023628600000000, -0.0004882300000000, -0.0012592300000000 ] - [ -0.0049848600000000, 0.0000000000000000, -0.0011843200000000 ] - [ -0.0029092900000000, 0.0000000000000000, -0.0003084300000000 ] - [ 0.0019550300000000, 0.0000000000000000, -0.0021260900000000 ] - [ 0.0023837800000000, 0.0000000000000000, -0.0020114800000000 ] - [ 0.0012047600000000, -0.0018849400000000, 0.0011375400000000 ] - [ 0.0012047600000000, 0.0018849400000000, 0.0011375400000000 ] - [ -0.0010266400000000, 0.0000000000000000, -0.0054315200000000 ] - [ -0.0005575100000000, 0.0000000000000000, -0.0031630400000000 ] - [ -0.0021646700000000, -0.0001243900000000, -0.0013444800000000 ] - [ -0.0021646700000000, 0.0001243900000000, -0.0013444800000000 ] - [ 0.0158905500000000, 0.0000000000000000, -0.0000377500000000 ] - [ 0.0071671100000000, 0.0000000000000000, 0.0001832600000000 ] - [ -0.0411866300000000, 0.0000000000000000, -0.0028573400000000 ] - [ -0.0089780500000000, 0.0000000000000000, -0.0000020100000000 ] - [ -0.0004660300000000, 0.0000000000000000, -0.0047124800000000 ] - [ -0.0002090900000000, 0.0000000000000000, -0.0029331500000000 ] - [ -0.0010177000000000, 0.0000837600000000, -0.0039654100000000 ] - [ -0.0010177000000000, -0.0000837600000000, -0.0039654100000000 ] - [ -0.0081382300000000, 0.0017053900000000, -0.0008585200000000 ] - [ -0.0081382300000000, -0.0017053900000000, -0.0008585200000000 ] - [ -0.0009372300000000, -0.0000614600000000, -0.0007245400000000 ] - [ -0.0009372300000000, 0.0000614600000000, -0.0007245400000000 ] - [ -0.0058347100000000, 0.0000000000000000, 0.0292136100000000 ] - [ 0.0009775800000000, 0.0000000000000000, 0.0093521200000000 ] - [ 0.0003446800000000, 0.0000000000000000, 0.0010003500000000 ] - [ 0.0027602700000000, 0.0000000000000000, 0.0011339900000000 ] - [ -0.0003405800000000, 0.0000000000000000, 0.0090180800000000 ] - [ 0.0002371800000000, 0.0000000000000000, 0.0053206800000000 ] - [ 0.0018716600000000, 0.0011827900000000, 0.0041038200000000 ] - [ 0.0018716600000000, -0.0011827900000000, 0.0041038200000000 ] - [ -0.0033516400000000, 0.0000688400000000, 0.0000646600000000 ] - [ -0.0033516400000000, -0.0000688400000000, 0.0000646600000000 ] - [ -0.0010694600000000, -0.0001136900000000, 0.0003597000000000 ] - [ -0.0010694600000000, 0.0001136900000000, 0.0003597000000000 ] - [ -0.0000622100000000, 0.0000000000000000, 0.0059605800000000 ] - [ 0.0011218100000000, 0.0000000000000000, 0.0032171200000000 ] - [ -0.0006290300000000, 0.0001070900000000, -0.0009563400000000 ] - [ -0.0006290300000000, -0.0001070900000000, -0.0009563400000000 ] - [ 0.0015596700000000, 0.0000000000000000, -0.0007448800000000 ] - [ 0.0016246000000000, 0.0000000000000000, -0.0007114500000000 ] - [ -0.0009552900000000, 0.0000000000000000, 0.0037641700000000 ] - [ 0.0004087200000000, 0.0000000000000000, 0.0026450900000000 ] - [ -0.0031246600000000, 0.0003849200000000, 0.0012372500000000 ] - [ -0.0031246600000000, -0.0003849200000000, 0.0012372500000000 ] - [ 0.0040574400000000, -0.0028279400000000, 0.0006521600000000 ] - [ 0.0040574400000000, 0.0028279400000000, 0.0006521600000000 ] - [ 0.0016752300000000, 0.0000000000000000, 0.0008230700000000 ] - [ 0.0016820200000000, 0.0000000000000000, 0.0016291300000000 ] - [ -0.0008396500000000, -0.0008691000000000, 0.0070315300000000 ] - [ -0.0008396500000000, 0.0008691000000000, 0.0070315300000000 ] - [ 0.0136421600000000, 0.0000000000000000, 0.0027872100000000 ] - [ 0.0075394400000000, 0.0000000000000000, 0.0017171100000000 ] - [ -0.0028894700000000, 0.0000693300000000, -0.0003207000000000 ] - [ -0.0028894700000000, -0.0000693300000000, -0.0003207000000000 ] - [ -0.0083179700000000, -0.0007953800000000, -0.0001323300000000 ] - [ -0.0083179700000000, 0.0007953800000000, -0.0001323300000000 ] - [ 0.0007160400000000, 0.0016776400000000, -0.0039964400000000 ] - [ 0.0007160400000000, -0.0016776400000000, -0.0039964400000000 ] - [ -0.0024589800000000, 0.0000000000000000, 0.0465020000000000 ] - [ 0.0010455800000000, 0.0000000000000000, 0.0056937900000000 ] - [ -0.0380719500000000, 0.0000000000000000, -0.0022065700000000 ] - [ -0.0044909200000000, 0.0000000000000000, -0.0005162000000000 ] - [ -0.0078307000000000, 0.0000000000000000, -0.0244798000000000 ] - [ 0.0006198000000000, 0.0000000000000000, -0.0048605100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021807100000000, -0.0000043500000000, -0.0012980100000000 ] - [ 0.0022032400000000, -0.0000024100000000, -0.0010768500000000 ] - [ -0.0037495600000000, -0.0000017300000000, -0.0000717100000000 ] - [ -0.0032873600000000, 0.0000098600000000, -0.0000422600000000 ] - [ -0.0013452400000000, 0.0000133900000000, -0.0000284300000000 ] - [ -0.0013472100000000, -0.0000133000000000, -0.0000395800000000 ] - [ 0.0021933200000000, 0.0000008700000000, -0.0011823600000000 ] - [ 0.0021923400000000, -0.0000193500000000, -0.0011807700000000 ] - [ -0.0038466500000000, 0.0068668900000000, -0.0000656400000000 ] - [ -0.0035109900000000, -0.0125848900000000, -0.0000563000000000 ] - [ -0.0013377900000000, 0.0000046500000000, 0.0001179000000000 ] - [ -0.0013473500000000, 0.0000079400000000, -0.0001762600000000 ] - [ -0.0005441800000000, -0.0000005100000000, -0.0018575900000000 ] - [ -0.0005060500000000, 0.0000002900000000, -0.0018098600000000 ] - [ -0.0032998800000000, -0.0000150500000000, -0.0007977500000000 ] - [ -0.0032757000000000, -0.0000052500000000, -0.0007978500000000 ] - [ -0.0011799100000000, 0.0004783100000000, -0.0022161000000000 ] - [ -0.0011764000000000, -0.0002105700000000, -0.0021963500000000 ] - [ -0.0039224400000000, -0.0000000900000000, 0.0018529400000000 ] - [ -0.0039029200000000, 0.0000004000000000, 0.0018758900000000 ] - [ 0.0036309900000000, 0.0003560700000000, -0.0002843500000000 ] - [ 0.0035816800000000, 0.0000210400000000, -0.0002831300000000 ] - [ -0.0009276600000000, -0.0000018200000000, 0.0027149500000000 ] - [ -0.0008549900000000, -0.0000005900000000, 0.0026766300000000 ] - [ -0.0005226400000000, 0.0003089700000000, -0.0018300900000000 ] - [ -0.0005218600000000, -0.0002633300000000, -0.0018178800000000 ] - [ -0.0023113400000000, 0.0242398100000000, -0.0008883700000000 ] - [ -0.0032714100000000, -0.0062697300000000, -0.0007935700000000 ] - [ -0.0011930400000000, -0.0000024600000000, -0.0021843800000000 ] - [ -0.0011789800000000, 0.0000010000000000, -0.0022236900000000 ] - [ -0.0039088800000000, 0.0005920700000000, 0.0018786900000000 ] - [ -0.0039063500000000, 0.0000504500000000, 0.0018631500000000 ] - [ 0.0019355900000000, 0.0002698600000000, -0.0002063400000000 ] - [ 0.0052711000000000, 0.0003302000000000, -0.0003581900000000 ] - [ -0.0008897600000000, 0.0002146800000000, 0.0026985800000000 ] - [ -0.0008930100000000, -0.0001991200000000, 0.0026864400000000 ] - [ -0.0001059800000000, 0.0000011600000000, 0.0004075400000000 ] - [ -0.0001304600000000, -0.0000002100000000, 0.0003510200000000 ] - [ 0.0131449600000000, 0.0001028100000000, 0.0008504200000000 ] - [ -0.0032891700000000, 0.0000536000000000, 0.0020651600000000 ] - [ 0.0006483100000000, -0.0000362600000000, 0.0010077100000000 ] - [ 0.0006044900000000, -0.0000400500000000, 0.0006854600000000 ] - [ 0.0006221300000000, -0.0000187100000000, 0.0009125500000000 ] - [ 0.0006221600000000, 0.0000197600000000, 0.0009134000000000 ] - [ 0.0013494500000000, -0.0334540000000000, 0.0002011300000000 ] - [ 0.0020282100000000, 0.0020541600000000, 0.0001288600000000 ] - [ 0.0001318400000000, 0.0000081500000000, -0.0000161700000000 ] - [ 0.0001364700000000, 0.0000137100000000, -0.0000150300000000 ] - [ -0.0006373900000000, 0.0000039000000000, 0.0000711700000000 ] - [ -0.0007055700000000, 0.0000034500000000, 0.0000347100000000 ] - [ -0.0000524200000000, -0.0033220300000000, -0.0000340900000000 ] - [ -0.0000733200000000, 0.0003548000000000, -0.0000756900000000 ] - [ -0.0069318200000000, 0.0116113100000000, -0.0007416400000000 ] - [ 0.0136294000000000, 0.0117433800000000, 0.0004571400000000 ] - [ -0.0003680800000000, 0.0000008700000000, 0.0001378600000000 ] - [ -0.0003718300000000, -0.0000017800000000, 0.0001302000000000 ] - [ -0.0030594700000000, 0.0000096000000000, 0.0005732300000000 ] - [ -0.0030627600000000, 0.0000698700000000, 0.0005715600000000 ] - [ 0.0039494800000000, -0.0000114300000000, -0.0013944200000000 ] - [ 0.0039512000000000, 0.0000126800000000, -0.0013937900000000 ] - [ 0.0015781200000000, -0.0001047100000000, 0.0022907800000000 ] - [ 0.0014624700000000, -0.0001074200000000, 0.0022287400000000 ] - [ 0.0002078900000000, -0.0000103500000000, 0.0005492800000000 ] - [ 0.0002095400000000, 0.0000037000000000, 0.0005657500000000 ] - [ 0.0014940300000000, -0.0000014700000000, 0.0003356500000000 ] - [ 0.0014786300000000, -0.0000018200000000, 0.0003229100000000 ] - [ 0.0002439600000000, -0.0002604800000000, 0.0000779700000000 ] - [ 0.0002443000000000, 0.0001209100000000, 0.0000751900000000 ] - [ -0.0005779600000000, 0.0004945000000000, -0.0001382100000000 ] - [ -0.0004584800000000, 0.0011978700000000, -0.0001307400000000 ] - [ 0.0000896900000000, -0.0000240800000000, -0.0023463300000000 ] - [ 0.0000894500000000, 0.0000270600000000, -0.0023478100000000 ] - [ -0.0003010400000000, 0.0000008600000000, -0.0012183000000000 ] - [ -0.0003033700000000, 0.0000000000000000, -0.0012100500000000 ] - [ -0.0051010600000000, -0.0000058000000000, -0.0007184400000000 ] - [ -0.0049611000000000, -0.0000308500000000, -0.0007335400000000 ] - [ -0.0001920900000000, 0.0000002500000000, 0.0001625100000000 ] - [ -0.0002086500000000, -0.0000008700000000, 0.0002062800000000 ] - [ -0.0001247000000000, -0.0011667200000000, 0.0003871300000000 ] - [ -0.0001185700000000, 0.0003076700000000, 0.0003621600000000 ] - [ 0.0049703400000000, -0.0000391500000000, 0.0014528700000000 ] - [ 0.0049794700000000, 0.0000304900000000, 0.0014536700000000 ] - [ 0.0006245500000000, -0.0000110700000000, 0.0008467000000000 ] - [ 0.0006269900000000, 0.0000144500000000, 0.0008422200000000 ] - [ 0.0005707200000000, -0.0000045200000000, 0.0009603000000000 ] - [ 0.0006708700000000, -0.0000103000000000, 0.0008576400000000 ] - [ 0.0021330300000000, 0.0000162100000000, 0.0001276700000000 ] - [ 0.0020076800000000, 0.0000143800000000, 0.0001300900000000 ] - [ 0.0001884300000000, 0.0000034200000000, -0.0000211900000000 ] - [ 0.0000766200000000, 0.0000027800000000, -0.0000095600000000 ] - [ -0.0006735800000000, 0.0000095200000000, 0.0000517400000000 ] - [ -0.0006755000000000, -0.0000147500000000, 0.0000503600000000 ] - [ -0.0000702000000000, 0.0000002900000000, -0.0000719500000000 ] - [ -0.0000715200000000, -0.0000005500000000, -0.0000678900000000 ] - [ 0.0032475400000000, -0.0000727400000000, -0.0001498400000000 ] - [ 0.0032474700000000, 0.0000832500000000, -0.0001499300000000 ] - [ -0.0003722500000000, -0.0000475800000000, 0.0001321100000000 ] - [ -0.0003737100000000, 0.0000588700000000, 0.0001311000000000 ] - [ -0.0030554500000000, 0.0000064900000000, 0.0005725000000000 ] - [ -0.0030632000000000, -0.0000013400000000, 0.0005698200000000 ] - [ 0.0040162900000000, -0.0002805200000000, -0.0013708000000000 ] - [ 0.0038783000000000, -0.0002837100000000, -0.0014178500000000 ] - [ 0.0015210600000000, -0.0000127400000000, 0.0022601500000000 ] - [ 0.0015217600000000, 0.0000149800000000, 0.0022611000000000 ] - [ 0.0002952000000000, -0.0000325600000000, 0.0003016000000000 ] - [ 0.0001213700000000, -0.0000364900000000, 0.0008058900000000 ] - [ 0.0014835000000000, -0.0002204700000000, 0.0003237000000000 ] - [ 0.0014844800000000, 0.0000532400000000, 0.0003288700000000 ] - [ 0.0002554100000000, 0.0000006500000000, 0.0000762400000000 ] - [ 0.0002458600000000, 0.0000004900000000, 0.0000773900000000 ] - [ 0.0003147500000000, -0.0000537100000000, -0.0002001700000000 ] - [ -0.0012919300000000, -0.0000592400000000, -0.0000604900000000 ] - [ 0.0000485300000000, 0.0000074700000000, -0.0023786200000000 ] - [ 0.0001304500000000, 0.0000027400000000, -0.0023132200000000 ] - [ -0.0002971700000000, -0.0029059900000000, -0.0012536000000000 ] - [ -0.0003043800000000, 0.0004391400000000, -0.0012121400000000 ] - [ -0.0049756900000000, -0.0001119300000000, -0.0007268500000000 ] - [ -0.0050396300000000, 0.0006927500000000, -0.0007264700000000 ] - [ -0.0002067800000000, -0.0013515000000000, 0.0001705700000000 ] - [ -0.0002000100000000, 0.0003101000000000, 0.0001955500000000 ]- atom: 45 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0029978300000000, -0.0000577700000000, 0.0021594900000000 ] - [ 0.0029978300000000, 0.0000577700000000, 0.0021594900000000 ] - [ 0.0005294100000000, 0.0000907100000000, 0.0009367200000000 ] - [ 0.0005294100000000, -0.0000907100000000, 0.0009367200000000 ] - [ -0.0004317500000000, 0.0000000000000000, 0.0027085800000000 ] - [ -0.0004588600000000, 0.0000000000000000, 0.0019389500000000 ] - [ 0.0020678600000000, 0.0000000000000000, -0.0059902900000000 ] - [ 0.0016625900000000, 0.0000000000000000, -0.0038823200000000 ] - [ -0.0024944400000000, 0.0000000000000000, 0.0040210000000000 ] - [ -0.0069794700000000, 0.0000000000000000, 0.0001751300000000 ] - [ 0.0003571200000000, 0.0006183800000000, -0.0046564000000000 ] - [ 0.0003571200000000, -0.0006183800000000, -0.0046564000000000 ] - [ 0.0013394000000000, -0.0000431500000000, -0.0003553800000000 ] - [ 0.0013394000000000, 0.0000431500000000, -0.0003553800000000 ] - [ -0.0000226200000000, -0.0004764900000000, -0.0002366700000000 ] - [ -0.0000226200000000, 0.0004764900000000, -0.0002366700000000 ] - [ -0.0061782500000000, 0.0000000000000000, 0.0004255000000000 ] - [ -0.0041284000000000, 0.0000000000000000, -0.0004451100000000 ] - [ -0.0020706300000000, -0.0000759500000000, 0.0035685900000000 ] - [ -0.0020706300000000, 0.0000759500000000, 0.0035685900000000 ] - [ 0.0132033800000000, 0.0000000000000000, -0.0005857800000000 ] - [ 0.0080751100000000, 0.0000000000000000, -0.0005296100000000 ] - [ 0.0004171700000000, 0.0000506000000000, 0.0024646400000000 ] - [ 0.0004171700000000, -0.0000506000000000, 0.0024646400000000 ] - [ -0.0026828100000000, 0.0000000000000000, -0.0188202900000000 ] - [ -0.0017586300000000, 0.0000000000000000, -0.0070430400000000 ] - [ -0.1833792900000000, 0.0000000000000000, 0.0259823500000000 ] - [ -0.0137268400000000, 0.0000000000000000, 0.0016756900000000 ] - [ -0.0003092400000000, -0.0000500000000000, -0.0020261000000000 ] - [ -0.0003092400000000, 0.0000500000000000, -0.0020261000000000 ] - [ -0.0056908600000000, 0.0000000000000000, -0.0216169000000000 ] - [ -0.0063890600000000, 0.0000000000000000, -0.0027559000000000 ] - [ 0.0095473500000000, 0.0072890200000000, 0.0003555500000000 ] - [ 0.0095473500000000, -0.0072890200000000, 0.0003555500000000 ] - [ -0.0045003600000000, 0.0000000000000000, 0.0067144200000000 ] - [ -0.0026245700000000, 0.0000000000000000, 0.0053026800000000 ] - [ -0.0005439200000000, -0.0000018900000000, -0.0009286700000000 ] - [ -0.0005439200000000, 0.0000018900000000, -0.0009286700000000 ] - [ 0.0030949000000000, -0.0168370400000000, -0.0000642300000000 ] - [ 0.0030949000000000, 0.0168370400000000, -0.0000642300000000 ] - [ 0.0002271400000000, -0.0004054600000000, -0.0030589600000000 ] - [ 0.0002271400000000, 0.0004054600000000, -0.0030589600000000 ] - [ 0.0002259000000000, 0.0000000000000000, 0.0002349100000000 ] - [ 0.0002500200000000, 0.0000000000000000, 0.0003332700000000 ] - [ 0.2410574000000000, 0.0000000000000000, -0.0438947100000000 ] - [ 0.0127648200000000, 0.0000000000000000, -0.0010991100000000 ] - [ -0.0000094300000000, 0.0000000000000000, -0.0001484700000000 ] - [ -0.0001672600000000, 0.0000000000000000, -0.0002273800000000 ] - [ -0.0022191200000000, 0.0000143700000000, -0.0007317200000000 ] - [ -0.0022191200000000, -0.0000143700000000, -0.0007317200000000 ] - [ 0.0067989500000000, 0.0000000000000000, -0.0101135400000000 ] - [ 0.0006177400000000, 0.0000000000000000, -0.0033219000000000 ] - [ -0.0021997100000000, 0.0143206300000000, -0.0031610600000000 ] - [ -0.0021997100000000, -0.0143206300000000, -0.0031610600000000 ] - [ -0.0010854500000000, 0.0001324500000000, -0.0004919700000000 ] - [ -0.0010854500000000, -0.0001324500000000, -0.0004919700000000 ] - [ -0.0022993600000000, 0.0000000000000000, 0.0001144800000000 ] - [ -0.0026160400000000, 0.0000000000000000, 0.0001126700000000 ] - [ 0.0032513800000000, 0.0000000000000000, -0.0017098200000000 ] - [ 0.0033554900000000, 0.0000000000000000, -0.0016686000000000 ] - [ 0.0018598000000000, 0.0002175900000000, 0.0021609300000000 ] - [ 0.0018598000000000, -0.0002175900000000, 0.0021609300000000 ] - [ -0.0003028000000000, 0.0000000000000000, -0.0027952600000000 ] - [ -0.0001356600000000, 0.0000000000000000, -0.0015387000000000 ] - [ 0.0001333400000000, 0.0000037600000000, -0.0002409400000000 ] - [ 0.0001333400000000, -0.0000037600000000, -0.0002409400000000 ] - [ 0.0068692500000000, 0.0000000000000000, 0.0004794800000000 ] - [ 0.0035250100000000, 0.0000000000000000, 0.0002604900000000 ] - [ -0.0211128300000000, 0.0000000000000000, 0.0006929000000000 ] - [ -0.0052870100000000, 0.0000000000000000, -0.0001028400000000 ] - [ -0.0000639400000000, 0.0000000000000000, -0.0026390200000000 ] - [ -0.0000516500000000, 0.0000000000000000, -0.0023528700000000 ] - [ -0.0006172300000000, 0.0000366700000000, -0.0023241600000000 ] - [ -0.0006172300000000, -0.0000366700000000, -0.0023241600000000 ] - [ -0.0066131600000000, 0.0007677700000000, -0.0008134700000000 ] - [ -0.0066131600000000, -0.0007677700000000, -0.0008134700000000 ] - [ -0.0005413100000000, -0.0000177400000000, 0.0001879400000000 ] - [ -0.0005413100000000, 0.0000177400000000, 0.0001879400000000 ] - [ -0.0084635900000000, 0.0000000000000000, 0.0215589000000000 ] - [ 0.0002282300000000, 0.0000000000000000, 0.0047140400000000 ] - [ 0.0025926100000000, 0.0000000000000000, 0.0013181500000000 ] - [ 0.0038495500000000, 0.0000000000000000, 0.0013453700000000 ] - [ 0.0000370800000000, 0.0000000000000000, 0.0051971000000000 ] - [ 0.0003646800000000, 0.0000000000000000, 0.0033430000000000 ] - [ 0.0008915400000000, 0.0015687300000000, 0.0032722600000000 ] - [ 0.0008915400000000, -0.0015687300000000, 0.0032722600000000 ] - [ -0.0006042400000000, 0.0000354700000000, 0.0001489300000000 ] - [ -0.0006042400000000, -0.0000354700000000, 0.0001489300000000 ] - [ -0.0011761900000000, -0.0000097800000000, 0.0004246500000000 ] - [ -0.0011761900000000, 0.0000097800000000, 0.0004246500000000 ] - [ -0.0026504600000000, 0.0000000000000000, 0.0045920000000000 ] - [ -0.0006915000000000, 0.0000000000000000, 0.0021628000000000 ] - [ -0.0003403300000000, 0.0000402600000000, -0.0001219400000000 ] - [ -0.0003403300000000, -0.0000402600000000, -0.0001219400000000 ] - [ 0.0023464000000000, 0.0000000000000000, -0.0003851500000000 ] - [ 0.0023877600000000, 0.0000000000000000, -0.0003676600000000 ] - [ -0.0020612500000000, 0.0000000000000000, 0.0029274400000000 ] - [ -0.0004379500000000, 0.0000000000000000, 0.0018043300000000 ] - [ -0.0031994000000000, 0.0000694100000000, 0.0011133200000000 ] - [ -0.0031994000000000, -0.0000694100000000, 0.0011133200000000 ] - [ 0.0033645900000000, -0.0028554600000000, 0.0001197200000000 ] - [ 0.0033645900000000, 0.0028554600000000, 0.0001197200000000 ] - [ 0.0016218700000000, 0.0000000000000000, 0.0020894100000000 ] - [ 0.0015592600000000, 0.0000000000000000, 0.0020962500000000 ] - [ -0.0005373800000000, -0.0006066800000000, 0.0040635900000000 ] - [ -0.0005373800000000, 0.0006066800000000, 0.0040635900000000 ] - [ 0.0087356700000000, 0.0000000000000000, 0.0033494900000000 ] - [ 0.0044826700000000, 0.0000000000000000, 0.0011956500000000 ] - [ -0.0009916200000000, 0.0000084300000000, -0.0000353000000000 ] - [ -0.0009916200000000, -0.0000084300000000, -0.0000353000000000 ] - [ -0.0047571200000000, -0.0005207700000000, -0.0002409400000000 ] - [ -0.0047571200000000, 0.0005207700000000, -0.0002409400000000 ] - [ 0.0005761100000000, 0.0000064400000000, -0.0028000200000000 ] - [ 0.0005761100000000, -0.0000064400000000, -0.0028000200000000 ] - [ -0.0120241200000000, 0.0000000000000000, 0.0361890500000000 ] - [ 0.0002751500000000, 0.0000000000000000, 0.0014032900000000 ] - [ -0.0252335800000000, 0.0000000000000000, -0.0000394700000000 ] - [ -0.0046385100000000, 0.0000000000000000, -0.0007216100000000 ] - [ 0.0021097000000000, 0.0000000000000000, -0.0060140700000000 ] - [ 0.0003409200000000, 0.0000000000000000, -0.0030261400000000 ]- atom: 45 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0013743600000000, 0.0000529000000000, -0.0045416200000000 ] - [ 0.0013743600000000, -0.0000529000000000, -0.0045416200000000 ] - [ -0.0075744700000000, -0.0000988700000000, -0.0010539200000000 ] - [ -0.0075744700000000, 0.0000988700000000, -0.0010539200000000 ] - [ -0.0022627500000000, 0.0000000000000000, -0.0027795200000000 ] - [ -0.0022334800000000, 0.0000000000000000, -0.0020160300000000 ] - [ 0.0023056900000000, 0.0000000000000000, 0.0036340200000000 ] - [ 0.0027253900000000, 0.0000000000000000, 0.0015226900000000 ] - [ -0.0042872500000000, 0.0000000000000000, -0.0038493300000000 ] - [ -0.0000206300000000, 0.0000000000000000, -0.0002917400000000 ] - [ -0.0030335000000000, -0.0006091900000000, 0.0046169800000000 ] - [ -0.0030335000000000, 0.0006091900000000, 0.0046169800000000 ] - [ -0.0023981300000000, 0.0000433300000000, -0.0033178400000000 ] - [ -0.0023981300000000, -0.0000433300000000, -0.0033178400000000 ] - [ -0.0065643700000000, 0.0004720700000000, -0.0013634100000000 ] - [ -0.0065643700000000, -0.0004720700000000, -0.0013634100000000 ] - [ 0.0038481300000000, 0.0000000000000000, -0.0049654600000000 ] - [ 0.0017838900000000, 0.0000000000000000, -0.0039790600000000 ] - [ -0.0057658600000000, 0.0000777200000000, 0.0001548500000000 ] - [ -0.0057658600000000, -0.0000777200000000, 0.0001548500000000 ] - [ -0.0060384600000000, 0.0000000000000000, 0.0000155000000000 ] - [ -0.0008788400000000, 0.0000000000000000, -0.0000426900000000 ] - [ -0.0021975200000000, -0.0000518600000000, 0.0029198200000000 ] - [ -0.0021975200000000, 0.0000518600000000, 0.0029198200000000 ] - [ 0.0017118900000000, 0.0000000000000000, 0.0152581600000000 ] - [ 0.0007354400000000, 0.0000000000000000, 0.0033929200000000 ] - [ 0.1705720400000000, 0.0000000000000000, -0.0286139800000000 ] - [ 0.0071504500000000, 0.0000000000000000, -0.0032595800000000 ] - [ -0.0020722600000000, 0.0000524300000000, -0.0023803700000000 ] - [ -0.0020722600000000, -0.0000524300000000, -0.0023803700000000 ] - [ -0.0021519200000000, 0.0000000000000000, 0.0253639700000000 ] - [ -0.0014304700000000, 0.0000000000000000, 0.0065289100000000 ] - [ -0.0023689100000000, -0.0073198800000000, -0.0009082000000000 ] - [ -0.0023689100000000, 0.0073198800000000, -0.0009082000000000 ] - [ 0.0027238500000000, 0.0000000000000000, -0.0013177500000000 ] - [ 0.0008483100000000, 0.0000000000000000, 0.0000925600000000 ] - [ 0.0003079200000000, 0.0000024300000000, 0.0016947500000000 ] - [ 0.0003079200000000, -0.0000024300000000, 0.0016947500000000 ] - [ 0.0068911300000000, 0.0168302400000000, 0.0029722100000000 ] - [ 0.0068911300000000, -0.0168302400000000, 0.0029722100000000 ] - [ 0.0010271900000000, 0.0004082600000000, 0.0047492000000000 ] - [ 0.0010271900000000, -0.0004082600000000, 0.0047492000000000 ] - [ 0.0010195600000000, 0.0000000000000000, 0.0015900500000000 ] - [ 0.0009947500000000, 0.0000000000000000, 0.0014917100000000 ] - [ -0.2310193700000000, 0.0000000000000000, 0.0445905100000000 ] - [ -0.0086405300000000, 0.0000000000000000, 0.0013594800000000 ] - [ 0.0002821900000000, 0.0000000000000000, 0.0001134000000000 ] - [ 0.0004342400000000, 0.0000000000000000, 0.0001966800000000 ] - [ 0.0008852300000000, -0.0000139800000000, 0.0008426000000000 ] - [ 0.0008852300000000, 0.0000139800000000, 0.0008426000000000 ] - [ -0.0068308700000000, 0.0000000000000000, 0.0101280200000000 ] - [ -0.0007563100000000, 0.0000000000000000, 0.0031996400000000 ] - [ 0.0086794100000000, -0.0144331200000000, 0.0029010900000000 ] - [ 0.0086794100000000, 0.0144331200000000, 0.0029010900000000 ] - [ 0.0003480900000000, -0.0001323800000000, 0.0007612600000000 ] - [ 0.0003480900000000, 0.0001323800000000, 0.0007612600000000 ] - [ -0.0038112700000000, 0.0000000000000000, 0.0010346800000000 ] - [ -0.0035040800000000, 0.0000000000000000, 0.0010287100000000 ] - [ 0.0046490000000000, 0.0000000000000000, -0.0010766600000000 ] - [ 0.0045453600000000, 0.0000000000000000, -0.0011178200000000 ] - [ 0.0011820700000000, -0.0002091600000000, 0.0023664700000000 ] - [ 0.0011820700000000, 0.0002091600000000, 0.0023664700000000 ] - [ 0.0007214900000000, 0.0000000000000000, 0.0039201700000000 ] - [ 0.0005531300000000, 0.0000000000000000, 0.0026692700000000 ] - [ 0.0028440700000000, -0.0000032500000000, 0.0009015900000000 ] - [ 0.0028440700000000, 0.0000032500000000, 0.0009015900000000 ] - [ -0.0064723200000000, 0.0000000000000000, -0.0002785400000000 ] - [ -0.0030609800000000, 0.0000000000000000, -0.0001018400000000 ] - [ 0.0201927500000000, 0.0000000000000000, -0.0009778200000000 ] - [ 0.0043118800000000, 0.0000000000000000, -0.0001606400000000 ] - [ 0.0002437400000000, 0.0000000000000000, -0.0020480200000000 ] - [ 0.0002305800000000, 0.0000000000000000, -0.0023380800000000 ] - [ 0.0000169700000000, -0.0000365300000000, -0.0000975200000000 ] - [ 0.0000169700000000, 0.0000365300000000, -0.0000975200000000 ] - [ -0.0034446000000000, -0.0007677800000000, -0.0006357100000000 ] - [ -0.0034446000000000, 0.0007677800000000, -0.0006357100000000 ] - [ 0.0001426000000000, 0.0000180600000000, 0.0001820800000000 ] - [ 0.0001426000000000, -0.0000180600000000, 0.0001820800000000 ] - [ 0.0084003500000000, 0.0000000000000000, -0.0211037800000000 ] - [ -0.0004708800000000, 0.0000000000000000, -0.0039699400000000 ] - [ 0.0073608000000000, 0.0000000000000000, 0.0015880200000000 ] - [ 0.0061077900000000, 0.0000000000000000, 0.0015621100000000 ] - [ 0.0012161800000000, 0.0000000000000000, -0.0035218300000000 ] - [ 0.0008870600000000, 0.0000000000000000, -0.0016552900000000 ] - [ 0.0003428600000000, -0.0015911200000000, -0.0014643800000000 ] - [ 0.0003428600000000, 0.0015911200000000, -0.0014643800000000 ] - [ 0.0047566100000000, -0.0000347000000000, 0.0001103500000000 ] - [ 0.0047566100000000, 0.0000347000000000, 0.0001103500000000 ] - [ 0.0014345500000000, 0.0000097600000000, -0.0004556900000000 ] - [ 0.0014345500000000, -0.0000097600000000, -0.0004556900000000 ] - [ 0.0013293800000000, 0.0000000000000000, -0.0044961500000000 ] - [ -0.0006606400000000, 0.0000000000000000, -0.0020657200000000 ] - [ 0.0002037200000000, -0.0000405600000000, -0.0000158400000000 ] - [ 0.0002037200000000, 0.0000405600000000, -0.0000158400000000 ] - [ 0.0041540500000000, 0.0000000000000000, 0.0000876300000000 ] - [ 0.0041119500000000, 0.0000000000000000, 0.0000697400000000 ] - [ 0.0013012700000000, 0.0000000000000000, -0.0026779500000000 ] - [ -0.0003105100000000, 0.0000000000000000, -0.0015457900000000 ] - [ -0.0029135700000000, -0.0000733200000000, 0.0000234200000000 ] - [ -0.0029135700000000, 0.0000733200000000, 0.0000234200000000 ] - [ 0.0045279900000000, 0.0028416900000000, -0.0029138200000000 ] - [ 0.0045279900000000, -0.0028416900000000, -0.0029138200000000 ] - [ 0.0014246700000000, 0.0000000000000000, 0.0024335300000000 ] - [ 0.0014828100000000, 0.0000000000000000, 0.0024244300000000 ] - [ 0.0009561400000000, 0.0006073700000000, -0.0029701200000000 ] - [ 0.0009561400000000, -0.0006073700000000, -0.0029701200000000 ] - [ -0.0057405300000000, 0.0000000000000000, -0.0027252300000000 ] - [ -0.0015191700000000, 0.0000000000000000, -0.0005458100000000 ] - [ 0.0015000500000000, -0.0000089000000000, 0.0001926500000000 ] - [ 0.0015000500000000, 0.0000089000000000, 0.0001926500000000 ] - [ 0.0037875500000000, 0.0005246200000000, -0.0000236600000000 ] - [ 0.0037875500000000, -0.0005246200000000, -0.0000236600000000 ] - [ -0.0003978800000000, -0.0000095600000000, -0.0018950400000000 ] - [ -0.0003978800000000, 0.0000095600000000, -0.0018950400000000 ] - [ 0.0112034600000000, 0.0000000000000000, -0.0383474600000000 ] - [ -0.0008748800000000, 0.0000000000000000, -0.0038696700000000 ] - [ 0.0151458500000000, 0.0000000000000000, -0.0013768100000000 ] - [ -0.0054209800000000, 0.0000000000000000, -0.0007302500000000 ] - [ -0.0025187900000000, 0.0000000000000000, 0.0064458700000000 ] - [ -0.0007483400000000, 0.0000000000000000, 0.0033995100000000 ]- atom: 47 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0029645800000000, 0.0001171700000000, -0.0065377600000000 ] - [ -0.0029645800000000, -0.0001171700000000, -0.0065377600000000 ] - [ -0.0063219900000000, 0.0000767400000000, -0.0026643500000000 ] - [ -0.0063219900000000, -0.0000767400000000, -0.0026643500000000 ] - [ 0.0962584900000000, 0.0000000000000000, 0.0050977300000000 ] - [ 0.0204738800000000, 0.0000000000000000, 0.0041970000000000 ] - [ 0.0017504200000000, 0.0000000000000000, 0.0135015500000000 ] - [ 0.0020711200000000, 0.0000000000000000, 0.0070214600000000 ] - [ 0.0083137700000000, 0.0000000000000000, -0.0238540200000000 ] - [ 0.0014799500000000, 0.0000000000000000, -0.0051436700000000 ] - [ -0.0074566900000000, -0.0007453000000000, -0.0015928800000000 ] - [ -0.0074566900000000, 0.0007453000000000, -0.0015928800000000 ] - [ 0.0048332700000000, 0.0060145300000000, -0.0119731700000000 ] - [ 0.0048332700000000, -0.0060145300000000, -0.0119731700000000 ] - [ -0.0045573400000000, 0.0019131400000000, 0.0105142700000000 ] - [ -0.0045573400000000, -0.0019131400000000, 0.0105142700000000 ] - [ -0.0064150800000000, 0.0000000000000000, -0.0062822500000000 ] - [ -0.0061278600000000, 0.0000000000000000, -0.0055755700000000 ] - [ -0.0179635300000000, 0.0098743000000000, 0.0009218800000000 ] - [ -0.0179635300000000, -0.0098743000000000, 0.0009218800000000 ] - [ 0.0161506800000000, 0.0000000000000000, 0.0444283600000000 ] - [ 0.0120383200000000, 0.0000000000000000, 0.0096187600000000 ] - [ -0.0092301900000000, 0.0000001300000000, 0.0014729600000000 ] - [ -0.0092301900000000, -0.0000001300000000, 0.0014729600000000 ] - [ -0.0044936200000000, 0.0000000000000000, -0.0023730300000000 ] - [ -0.0037724100000000, 0.0000000000000000, -0.0025736900000000 ] - [ -0.0104994600000000, 0.0000000000000000, -0.0089617000000000 ] - [ -0.0073904500000000, 0.0000000000000000, -0.0061475700000000 ] - [ 0.0085958700000000, -0.0030195400000000, 0.0159126300000000 ] - [ 0.0085958700000000, 0.0030195400000000, 0.0159126300000000 ] - [ -0.0233805800000000, 0.0000000000000000, -0.0019906000000000 ] - [ -0.0108374500000000, 0.0000000000000000, 0.0009304200000000 ] - [ -0.0014501000000000, -0.0003120200000000, -0.0048188600000000 ] - [ -0.0014501000000000, 0.0003120200000000, -0.0048188600000000 ] - [ 0.0993964800000000, 0.0000000000000000, 0.0168654700000000 ] - [ 0.0133809800000000, 0.0000000000000000, -0.0039533200000000 ] - [ -0.0002289500000000, -0.0002778900000000, 0.0043614100000000 ] - [ -0.0002289500000000, 0.0002778900000000, 0.0043614100000000 ] - [ 0.0069815300000000, 0.0008913900000000, 0.0025427600000000 ] - [ 0.0069815300000000, -0.0008913900000000, 0.0025427600000000 ] - [ 0.0013491100000000, 0.0000251100000000, 0.0051317200000000 ] - [ 0.0013491100000000, -0.0000251100000000, 0.0051317200000000 ] - [ 0.0049792700000000, 0.0000000000000000, 0.0131447000000000 ] - [ -0.0010676900000000, 0.0000000000000000, 0.0028765000000000 ] - [ 0.0063408300000000, 0.0000000000000000, 0.0024563700000000 ] - [ 0.0039058100000000, 0.0000000000000000, 0.0008594100000000 ] - [ -0.3071481800000000, 0.0000000000000000, 0.0045707000000000 ] - [ -0.0296753200000000, 0.0000000000000000, 0.0002728300000000 ] - [ 0.0033514700000000, -0.0008218900000000, 0.0036843400000000 ] - [ 0.0033514700000000, 0.0008218900000000, 0.0036843400000000 ] - [ 0.0009246300000000, 0.0000000000000000, 0.0049180900000000 ] - [ 0.0006685900000000, 0.0000000000000000, 0.0037339400000000 ] - [ 0.0017607400000000, 0.0023336400000000, 0.0026472600000000 ] - [ 0.0017607400000000, -0.0023336400000000, 0.0026472600000000 ] - [ 0.0078668600000000, -0.0242564400000000, 0.0054329400000000 ] - [ 0.0078668600000000, 0.0242564400000000, 0.0054329400000000 ] - [ -0.0003399800000000, 0.0000000000000000, 0.0015857800000000 ] - [ -0.0006197200000000, 0.0000000000000000, 0.0014696800000000 ] - [ 0.0279529100000000, 0.0000000000000000, 0.0012394400000000 ] - [ 0.0044187900000000, 0.0000000000000000, -0.0015597400000000 ] - [ 0.0034777600000000, 0.0001033600000000, 0.0032652700000000 ] - [ 0.0034777600000000, -0.0001033600000000, 0.0032652700000000 ] - [ 0.0089738700000000, 0.0000000000000000, -0.0660511000000000 ] - [ -0.0016583100000000, 0.0000000000000000, -0.0048279700000000 ] - [ 0.0097580200000000, -0.0005852400000000, 0.0026507500000000 ] - [ 0.0097580200000000, 0.0005852400000000, 0.0026507500000000 ] - [ 0.0041154500000000, 0.0000000000000000, 0.0002591400000000 ] - [ 0.0039360600000000, 0.0000000000000000, 0.0002411300000000 ] - [ -0.0204592100000000, 0.0000000000000000, -0.0019947800000000 ] - [ -0.0086341700000000, 0.0000000000000000, -0.0005384500000000 ] - [ 0.0017280600000000, 0.0000000000000000, -0.0012685100000000 ] - [ 0.0016784100000000, 0.0000000000000000, -0.0013796500000000 ] - [ 0.0010332200000000, -0.0010292900000000, -0.0080741800000000 ] - [ 0.0010332200000000, 0.0010292900000000, -0.0080741800000000 ] - [ -0.0050764400000000, -0.0048713400000000, -0.0046509100000000 ] - [ -0.0050764400000000, 0.0048713400000000, -0.0046509100000000 ] - [ 0.0006419600000000, -0.0000089100000000, 0.0014355400000000 ] - [ 0.0006419600000000, 0.0000089100000000, 0.0014355400000000 ] - [ -0.0008110100000000, 0.0000000000000000, 0.0035482100000000 ] - [ -0.0002108000000000, 0.0000000000000000, 0.0022484300000000 ] - [ 0.0065919000000000, 0.0000000000000000, -0.0020822100000000 ] - [ 0.0041215400000000, 0.0000000000000000, -0.0003800900000000 ] - [ 0.0003886300000000, 0.0000000000000000, -0.0153903000000000 ] - [ 0.0002040600000000, 0.0000000000000000, -0.0078833500000000 ] - [ 0.0015412000000000, 0.0003364900000000, 0.0011500600000000 ] - [ 0.0015412000000000, -0.0003364900000000, 0.0011500600000000 ] - [ 0.0032791400000000, -0.0000655200000000, -0.0006791400000000 ] - [ 0.0032791400000000, 0.0000655200000000, -0.0006791400000000 ] - [ 0.0062129700000000, 0.0000613600000000, 0.0003301200000000 ] - [ 0.0062129700000000, -0.0000613600000000, 0.0003301200000000 ] - [ 0.0012304200000000, 0.0000000000000000, -0.0033863100000000 ] - [ -0.0002376600000000, 0.0000000000000000, -0.0017068500000000 ] - [ -0.0004149100000000, 0.0000632300000000, -0.0096006400000000 ] - [ -0.0004149100000000, -0.0000632300000000, -0.0096006400000000 ] - [ 0.0038106800000000, 0.0000000000000000, 0.0004832800000000 ] - [ 0.0038011400000000, 0.0000000000000000, 0.0004566400000000 ] - [ 0.0037176100000000, 0.0000000000000000, -0.0001003100000000 ] - [ 0.0019646600000000, 0.0000000000000000, 0.0002294600000000 ] - [ -0.0028194400000000, 0.0008133900000000, -0.0027121400000000 ] - [ -0.0028194400000000, -0.0008133900000000, -0.0027121400000000 ] - [ 0.0068629400000000, 0.0023253700000000, -0.0016365700000000 ] - [ 0.0068629400000000, -0.0023253700000000, -0.0016365700000000 ] - [ 0.0033022700000000, 0.0000000000000000, -0.0079268700000000 ] - [ 0.0008238000000000, 0.0000000000000000, -0.0021450500000000 ] - [ 0.0012680800000000, 0.0001071900000000, 0.0031412900000000 ] - [ 0.0012680800000000, -0.0001071900000000, 0.0031412900000000 ] - [ 0.0403031300000000, 0.0000000000000000, -0.0115921200000000 ] - [ 0.0089076300000000, 0.0000000000000000, -0.0011031300000000 ] - [ -0.0111145800000000, -0.0007059700000000, 0.0003795700000000 ] - [ -0.0111145800000000, 0.0007059700000000, 0.0003795700000000 ] - [ 0.0031610800000000, 0.0000065700000000, 0.0004054200000000 ] - [ 0.0031610800000000, -0.0000065700000000, 0.0004054200000000 ] - [ 0.0087050600000000, 0.0395301600000000, -0.0152646500000000 ] - [ 0.0087050600000000, -0.0395301600000000, -0.0152646500000000 ] - [ 0.0011072200000000, 0.0000000000000000, 0.0057129300000000 ] - [ 0.0003510700000000, 0.0000000000000000, 0.0022389600000000 ] - [ -0.0026665200000000, 0.0000000000000000, 0.0002038900000000 ] - [ -0.0032150100000000, 0.0000000000000000, 0.0000635900000000 ] - [ 0.0068605300000000, 0.0000000000000000, 0.0483113300000000 ] - [ -0.0009257300000000, 0.0000000000000000, 0.0050371800000000 ]- atom: 47 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0073691200000000, -0.0001128100000000, 0.0041825300000000 ] - [ 0.0073691200000000, 0.0001128100000000, 0.0041825300000000 ] - [ -0.0006978800000000, -0.0000827700000000, 0.0025809400000000 ] - [ -0.0006978800000000, 0.0000827700000000, 0.0025809400000000 ] - [ -0.0895382200000000, 0.0000000000000000, -0.0055051700000000 ] - [ -0.0229921600000000, 0.0000000000000000, -0.0042650600000000 ] - [ 0.0025631700000000, 0.0000000000000000, -0.0158582100000000 ] - [ 0.0022789600000000, 0.0000000000000000, -0.0093776600000000 ] - [ -0.0153312200000000, 0.0000000000000000, 0.0239157900000000 ] - [ -0.0085227100000000, 0.0000000000000000, 0.0049978000000000 ] - [ 0.0047817500000000, 0.0007515700000000, 0.0015248000000000 ] - [ 0.0047817500000000, -0.0007515700000000, 0.0015248000000000 ] - [ -0.0057537300000000, -0.0060376800000000, 0.0083279700000000 ] - [ -0.0057537300000000, 0.0060376800000000, 0.0083279700000000 ] - [ -0.0020358700000000, -0.0018996500000000, -0.0120542100000000 ] - [ -0.0020358700000000, 0.0018996500000000, -0.0120542100000000 ] - [ 0.0040642200000000, 0.0000000000000000, 0.0018985800000000 ] - [ 0.0037763800000000, 0.0000000000000000, 0.0011829300000000 ] - [ 0.0101394500000000, -0.0098169300000000, 0.0027932500000000 ] - [ 0.0101394500000000, 0.0098169300000000, 0.0027932500000000 ] - [ -0.0088465400000000, 0.0000000000000000, -0.0446929000000000 ] - [ -0.0048143800000000, 0.0000000000000000, -0.0102072200000000 ] - [ 0.0074479200000000, 0.0000021300000000, 0.0039217800000000 ] - [ 0.0074479200000000, -0.0000021300000000, 0.0039217800000000 ] - [ 0.0034478100000000, 0.0000000000000000, -0.0012559900000000 ] - [ 0.0027175500000000, 0.0000000000000000, -0.0010711500000000 ] - [ 0.0039782800000000, 0.0000000000000000, 0.0073873500000000 ] - [ 0.0008332700000000, 0.0000000000000000, 0.0045517800000000 ] - [ -0.0111355600000000, 0.0029384500000000, -0.0202258000000000 ] - [ -0.0111355600000000, -0.0029384500000000, -0.0202258000000000 ] - [ 0.0156136300000000, 0.0000000000000000, 0.0057230600000000 ] - [ 0.0029804200000000, 0.0000000000000000, 0.0027776100000000 ] - [ 0.0086731000000000, 0.0003153600000000, 0.0042638900000000 ] - [ 0.0086731000000000, -0.0003153600000000, 0.0042638900000000 ] - [ -0.1114815900000000, 0.0000000000000000, -0.0121961400000000 ] - [ -0.0153101500000000, 0.0000000000000000, 0.0093565600000000 ] - [ -0.0000217100000000, 0.0002760300000000, -0.0036281800000000 ] - [ -0.0000217100000000, -0.0002760300000000, -0.0036281800000000 ] - [ 0.0029625700000000, -0.0009032300000000, 0.0003615700000000 ] - [ 0.0029625700000000, 0.0009032300000000, 0.0003615700000000 ] - [ -0.0001010000000000, -0.0000256300000000, -0.0034670500000000 ] - [ -0.0001010000000000, 0.0000256300000000, -0.0034670500000000 ] - [ -0.0037710500000000, 0.0000000000000000, -0.0112755200000000 ] - [ 0.0022869500000000, 0.0000000000000000, -0.0010384300000000 ] - [ -0.0022610100000000, 0.0000000000000000, -0.0022051300000000 ] - [ 0.0002172600000000, 0.0000000000000000, -0.0005966800000000 ] - [ 0.3083297500000000, 0.0000000000000000, -0.0026899700000000 ] - [ 0.0299448500000000, 0.0000000000000000, -0.0002967800000000 ] - [ -0.0047361100000000, 0.0008237600000000, -0.0035697600000000 ] - [ -0.0047361100000000, -0.0008237600000000, -0.0035697600000000 ] - [ -0.0010627100000000, 0.0000000000000000, -0.0050838200000000 ] - [ -0.0008052000000000, 0.0000000000000000, -0.0038833800000000 ] - [ 0.0047400800000000, -0.0023703300000000, -0.0029444600000000 ] - [ 0.0047400800000000, 0.0023703300000000, -0.0029444600000000 ] - [ -0.0086909800000000, 0.0240965900000000, -0.0051345800000000 ] - [ -0.0086909800000000, -0.0240965900000000, -0.0051345800000000 ] - [ -0.0057885900000000, 0.0000000000000000, -0.0004470800000000 ] - [ -0.0055068000000000, 0.0000000000000000, -0.0003317200000000 ] - [ -0.0198082600000000, 0.0000000000000000, -0.0040015200000000 ] - [ 0.0034697300000000, 0.0000000000000000, -0.0012260700000000 ] - [ -0.0004431400000000, -0.0001059000000000, 0.0012528300000000 ] - [ -0.0004431400000000, 0.0001059000000000, 0.0012528300000000 ] - [ -0.0086862900000000, 0.0000000000000000, 0.0662705000000000 ] - [ 0.0020585200000000, 0.0000000000000000, 0.0059654300000000 ] - [ -0.0067817900000000, 0.0005829700000000, -0.0019971300000000 ] - [ -0.0067817900000000, -0.0005829700000000, -0.0019971300000000 ] - [ -0.0036327800000000, 0.0000000000000000, -0.0001003200000000 ] - [ -0.0034486300000000, 0.0000000000000000, -0.0000820900000000 ] - [ 0.0193647600000000, 0.0000000000000000, 0.0017259800000000 ] - [ 0.0076577600000000, 0.0000000000000000, 0.0002846500000000 ] - [ -0.0015514600000000, 0.0000000000000000, -0.0034298600000000 ] - [ -0.0015009600000000, 0.0000000000000000, -0.0033154900000000 ] - [ -0.0016319700000000, 0.0010251300000000, 0.0056314600000000 ] - [ -0.0016319700000000, -0.0010251300000000, 0.0056314600000000 ] - [ -0.0049731500000000, 0.0048114400000000, 0.0031869500000000 ] - [ -0.0049731500000000, -0.0048114400000000, 0.0031869500000000 ] - [ -0.0010432100000000, 0.0000087300000000, -0.0010767900000000 ] - [ -0.0010432100000000, -0.0000087300000000, -0.0010767900000000 ] - [ 0.0005713300000000, 0.0000000000000000, -0.0028474800000000 ] - [ -0.0000315200000000, 0.0000000000000000, -0.0015062700000000 ] - [ 0.0033954900000000, 0.0000000000000000, 0.0049679000000000 ] - [ 0.0058373800000000, 0.0000000000000000, 0.0032791500000000 ] - [ 0.0008624200000000, 0.0000000000000000, 0.0169612900000000 ] - [ 0.0010500200000000, 0.0000000000000000, 0.0095488500000000 ] - [ -0.0003025400000000, -0.0003446300000000, 0.0006643500000000 ] - [ -0.0003025400000000, 0.0003446300000000, 0.0006643500000000 ] - [ 0.0008642000000000, 0.0000645900000000, 0.0009300400000000 ] - [ 0.0008642000000000, -0.0000645900000000, 0.0009300400000000 ] - [ -0.0059466000000000, -0.0000620100000000, -0.0003602900000000 ] - [ -0.0059466000000000, 0.0000620100000000, -0.0003602900000000 ] - [ -0.0025655100000000, 0.0000000000000000, 0.0035084000000000 ] - [ -0.0010932700000000, 0.0000000000000000, 0.0018155300000000 ] - [ 0.0002897200000000, -0.0000643900000000, 0.0094037200000000 ] - [ 0.0002897200000000, 0.0000643900000000, 0.0094037200000000 ] - [ 0.0026868200000000, 0.0000000000000000, -0.0007889600000000 ] - [ 0.0026957000000000, 0.0000000000000000, -0.0007623800000000 ] - [ -0.0044735100000000, 0.0000000000000000, 0.0003634300000000 ] - [ -0.0027082100000000, 0.0000000000000000, 0.0000344400000000 ] - [ -0.0032572200000000, -0.0008148200000000, 0.0038441000000000 ] - [ -0.0032572200000000, 0.0008148200000000, 0.0038441000000000 ] - [ 0.0010252100000000, -0.0023488700000000, -0.0011516700000000 ] - [ 0.0010252100000000, 0.0023488700000000, -0.0011516700000000 ] - [ -0.0001697700000000, 0.0000000000000000, 0.0124242400000000 ] - [ 0.0022409700000000, 0.0000000000000000, 0.0066745300000000 ] - [ -0.0008557300000000, -0.0001082800000000, -0.0020156800000000 ] - [ -0.0008557300000000, 0.0001082800000000, -0.0020156800000000 ] - [ -0.0376504000000000, 0.0000000000000000, 0.0124021700000000 ] - [ -0.0058863700000000, 0.0000000000000000, 0.0017600800000000 ] - [ 0.0116201100000000, 0.0007696600000000, -0.0003048300000000 ] - [ 0.0116201100000000, -0.0007696600000000, -0.0003048300000000 ] - [ -0.0041574400000000, -0.0000067300000000, -0.0006732800000000 ] - [ -0.0041574400000000, 0.0000067300000000, -0.0006732800000000 ] - [ -0.0084303800000000, -0.0398429500000000, 0.0106800200000000 ] - [ -0.0084303800000000, 0.0398429500000000, 0.0106800200000000 ] - [ -0.0017107400000000, 0.0000000000000000, -0.0081625000000000 ] - [ -0.0009499900000000, 0.0000000000000000, -0.0046595400000000 ] - [ -0.0074106600000000, 0.0000000000000000, -0.0016588400000000 ] - [ -0.0068530200000000, 0.0000000000000000, -0.0015177500000000 ] - [ -0.0071332500000000, 0.0000000000000000, -0.0486919700000000 ] - [ 0.0005390700000000, 0.0000000000000000, -0.0046420300000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024657900000000, -0.0000037800000000, -0.0009797500000000 ] - [ 0.0019136100000000, -0.0000038400000000, -0.0013877800000000 ] - [ -0.0033985200000000, -0.0000029800000000, 0.0002145100000000 ] - [ -0.0036335500000000, 0.0000039800000000, -0.0003336800000000 ] - [ -0.0018720200000000, 0.0131873000000000, 0.0000063900000000 ] - [ -0.0013618800000000, -0.0045566800000000, -0.0000358200000000 ] - [ 0.0022000900000000, 0.0007876400000000, -0.0011696000000000 ] - [ 0.0021979000000000, -0.0008646800000000, -0.0011871900000000 ] - [ -0.0035144600000000, 0.0004695100000000, -0.0000765500000000 ] - [ -0.0035119700000000, -0.0003221900000000, -0.0000452300000000 ] - [ -0.0013234200000000, -0.0000024000000000, -0.0000186800000000 ] - [ -0.0013678500000000, 0.0000028300000000, -0.0000504200000000 ] - [ 0.0013152600000000, -0.0001991900000000, -0.0001790900000000 ] - [ -0.0023834400000000, -0.0001815500000000, -0.0034942400000000 ] - [ -0.0033667500000000, -0.0000073100000000, -0.0004645100000000 ] - [ -0.0032034300000000, -0.0000001200000000, -0.0011433600000000 ] - [ -0.0011850000000000, 0.0001088600000000, -0.0022032500000000 ] - [ -0.0011828400000000, -0.0000987200000000, -0.0022025100000000 ] - [ -0.0020859800000000, 0.0001512100000000, 0.0019253900000000 ] - [ -0.0057483000000000, 0.0002040300000000, 0.0018014200000000 ] - [ 0.0036080500000000, 0.0005918500000000, -0.0003058700000000 ] - [ 0.0036044200000000, -0.0003295000000000, -0.0002752900000000 ] - [ -0.0006440000000000, -0.0000010900000000, 0.0026945000000000 ] - [ -0.0011403700000000, -0.0000011300000000, 0.0026930100000000 ] - [ -0.0005259900000000, 0.0000267200000000, -0.0018312500000000 ] - [ -0.0005210800000000, -0.0000058500000000, -0.0018305200000000 ] - [ -0.0032895300000000, 0.0000248300000000, -0.0008058900000000 ] - [ -0.0032839900000000, -0.0000213400000000, -0.0007951500000000 ] - [ -0.0034774000000000, -0.0001538700000000, 0.0014098300000000 ] - [ 0.0011281600000000, -0.0001376100000000, -0.0058463500000000 ] - [ -0.0039446300000000, 0.0000952500000000, 0.0018528200000000 ] - [ -0.0038917600000000, -0.0000807300000000, 0.0018701200000000 ] - [ 0.0036726000000000, -0.0000016900000000, -0.0002125000000000 ] - [ 0.0035276900000000, 0.0000006700000000, -0.0003560200000000 ] - [ -0.0003178000000000, 0.0102369700000000, 0.0027456000000000 ] - [ -0.0008873900000000, -0.0146733900000000, 0.0027126200000000 ] - [ -0.0002725500000000, -0.0000452000000000, -0.0002056400000000 ] - [ 0.0000359600000000, -0.0000478500000000, 0.0009658000000000 ] - [ 0.0049665100000000, 0.0000003800000000, 0.0014508000000000 ] - [ 0.0049898400000000, -0.0000044600000000, 0.0014566200000000 ] - [ 0.0006011600000000, 0.0000014800000000, 0.0007275300000000 ] - [ 0.0006515400000000, 0.0000010700000000, 0.0009618200000000 ] - [ 0.0006133300000000, -0.0016179200000000, 0.0009015500000000 ] - [ 0.0006245300000000, 0.0010373500000000, 0.0009162200000000 ] - [ 0.0020691800000000, 0.0000081200000000, 0.0001310600000000 ] - [ 0.0020643800000000, 0.0000137200000000, 0.0001274000000000 ] - [ 0.0002014000000000, -0.0379030400000000, -0.0002049500000000 ] - [ 0.0001551300000000, 0.0020323300000000, -0.0000121000000000 ] - [ -0.0012143700000000, 0.0000361700000000, -0.0002132600000000 ] - [ -0.0001240800000000, 0.0000328800000000, 0.0003179700000000 ] - [ -0.0000694000000000, -0.0000102100000000, -0.0000691300000000 ] - [ -0.0000699300000000, 0.0000082100000000, -0.0000707200000000 ] - [ 0.0033467600000000, 0.0000408900000000, -0.0000318800000000 ] - [ 0.0031495100000000, 0.0000164700000000, -0.0002700900000000 ] - [ -0.0067043300000000, 0.0020813700000000, -0.0004312600000000 ] - [ 0.0060451100000000, 0.0020946400000000, 0.0007143600000000 ] - [ -0.0030590400000000, -0.0001655700000000, 0.0005711800000000 ] - [ -0.0030592400000000, 0.0001733100000000, 0.0005712700000000 ] - [ 0.0039018100000000, -0.0002685000000000, -0.0014007100000000 ] - [ 0.0039587200000000, 0.0010336800000000, -0.0013948000000000 ] - [ 0.0014319200000000, -0.0000011500000000, 0.0022151500000000 ] - [ 0.0016130600000000, -0.0000015000000000, 0.0023057000000000 ] - [ 0.0001989600000000, -0.0027281800000000, 0.0005942200000000 ] - [ 0.0002099400000000, 0.0005787100000000, 0.0005486900000000 ] - [ 0.0008760500000000, 0.0000142000000000, 0.0000112100000000 ] - [ 0.0020996700000000, 0.0000103800000000, 0.0006445600000000 ] - [ 0.0002503800000000, -0.0000218300000000, 0.0000777600000000 ] - [ 0.0002481400000000, 0.0000043500000000, 0.0000777800000000 ] - [ -0.0004921500000000, -0.0002421600000000, -0.0001264100000000 ] - [ -0.0004928000000000, 0.0001338300000000, -0.0001333300000000 ] - [ 0.0000887200000000, -0.0000945900000000, -0.0023476000000000 ] - [ 0.0000888100000000, 0.0001006500000000, -0.0023475400000000 ] - [ -0.0003196900000000, -0.0000098700000000, -0.0009376900000000 ] - [ -0.0002818900000000, -0.0000135300000000, -0.0014836400000000 ] - [ -0.0050300700000000, -0.0000994300000000, -0.0007527300000000 ] - [ -0.0050341300000000, -0.0001105700000000, -0.0006999000000000 ] - [ -0.0002295900000000, 0.0000016100000000, 0.0001794900000000 ] - [ -0.0001762000000000, 0.0000002400000000, 0.0001961800000000 ] - [ -0.0001188000000000, -0.0000172900000000, 0.0003806500000000 ] - [ -0.0001197700000000, 0.0000138000000000, 0.0003744700000000 ] - [ 0.0049749300000000, -0.0002924000000000, 0.0014558200000000 ] - [ 0.0049784700000000, 0.0003168900000000, 0.0014539400000000 ] - [ 0.0006236300000000, -0.0000657700000000, 0.0008446000000000 ] - [ 0.0006252500000000, 0.0001156200000000, 0.0008478100000000 ] - [ 0.0006199800000000, -0.0000013200000000, 0.0009099400000000 ] - [ 0.0006221000000000, -0.0000045800000000, 0.0009147600000000 ] - [ 0.0019464800000000, 0.0000039800000000, 0.0000732800000000 ] - [ 0.0021858500000000, 0.0000022400000000, 0.0001847100000000 ] - [ 0.0000622200000000, 0.0000002400000000, -0.0000295100000000 ] - [ 0.0002024900000000, -0.0000004000000000, -0.0000007200000000 ] - [ -0.0006706700000000, -0.0000934300000000, 0.0000467800000000 ] - [ -0.0006812100000000, 0.0000152300000000, 0.0000514300000000 ] - [ 0.0001635400000000, -0.0000292500000000, -0.0011643900000000 ] - [ -0.0003063500000000, -0.0000309900000000, 0.0010388700000000 ] - [ 0.0032459700000000, -0.0001525300000000, -0.0001494200000000 ] - [ 0.0032460800000000, 0.0001492900000000, -0.0001494100000000 ] - [ -0.0003662100000000, -0.0000077200000000, 0.0001328300000000 ] - [ -0.0003727300000000, 0.0000245800000000, 0.0001339600000000 ] - [ -0.0024117200000000, 0.0000709800000000, 0.0001829100000000 ] - [ -0.0037178700000000, 0.0000580900000000, 0.0009628000000000 ] - [ 0.0039448700000000, 0.0000453700000000, -0.0013820100000000 ] - [ 0.0039571800000000, 0.0000240000000000, -0.0014058300000000 ] - [ 0.0015215400000000, -0.0016971300000000, 0.0022524700000000 ] - [ 0.0015196800000000, 0.0013426800000000, 0.0022637100000000 ] - [ 0.0002012100000000, 0.0000004800000000, 0.0005255400000000 ] - [ 0.0002171900000000, -0.0000002900000000, 0.0005900400000000 ] - [ 0.0015752200000000, 0.0016272200000000, 0.0002973900000000 ] - [ 0.0014585400000000, 0.0013516100000000, 0.0003271500000000 ] - [ 0.0001761200000000, 0.0012978400000000, -0.0022093300000000 ] - [ 0.0003300500000000, 0.0013109500000000, 0.0023982800000000 ] - [ -0.0005517300000000, 0.0000014000000000, -0.0001563500000000 ] - [ -0.0004222500000000, -0.0000004500000000, -0.0001036100000000 ] - [ 0.0115570200000000, 0.0130512300000000, -0.0043462100000000 ] - [ -0.0115685600000000, 0.0131803700000000, -0.0003020900000000 ] - [ -0.0002987600000000, 0.0000236800000000, -0.0012020400000000 ] - [ -0.0003012100000000, 0.0000245400000000, -0.0012174600000000 ] - [ -0.0050296300000000, -0.0000486400000000, -0.0007254500000000 ] - [ -0.0050308800000000, 0.0000496300000000, -0.0007261600000000 ] - [ -0.0002022600000000, -0.0024063300000000, 0.0002318100000000 ] - [ -0.0002062600000000, 0.0004340700000000, 0.0001674400000000 ]- atom: 47 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0040411900000000, -0.0000808600000000, 0.0013080000000000 ] - [ 0.0040411900000000, 0.0000808600000000, 0.0013080000000000 ] - [ -0.0022371500000000, -0.0000293300000000, 0.0003157200000000 ] - [ -0.0022371500000000, 0.0000293300000000, 0.0003157200000000 ] - [ -0.0583562300000000, 0.0000000000000000, 0.0140446200000000 ] - [ -0.0120059300000000, 0.0000000000000000, -0.0005230500000000 ] - [ 0.0044767900000000, 0.0000000000000000, -0.0080488300000000 ] - [ 0.0030259500000000, 0.0000000000000000, -0.0055242200000000 ] - [ -0.0098592400000000, 0.0000000000000000, 0.0100187800000000 ] - [ -0.0062031700000000, 0.0000000000000000, 0.0023860500000000 ] - [ 0.0013822900000000, 0.0002289400000000, 0.0005647200000000 ] - [ 0.0013822900000000, -0.0002289400000000, 0.0005647200000000 ] - [ -0.0060295200000000, -0.0007497400000000, 0.0027992700000000 ] - [ -0.0060295200000000, 0.0007497400000000, 0.0027992700000000 ] - [ -0.0017772900000000, -0.0012000300000000, -0.0079253000000000 ] - [ -0.0017772900000000, 0.0012000300000000, -0.0079253000000000 ] - [ 0.0010009900000000, 0.0000000000000000, -0.0004001400000000 ] - [ 0.0008996100000000, 0.0000000000000000, -0.0006777900000000 ] - [ 0.0031743300000000, -0.0063064100000000, 0.0028916200000000 ] - [ 0.0031743300000000, 0.0063064100000000, 0.0028916200000000 ] - [ -0.0014301100000000, 0.0000000000000000, -0.0268589500000000 ] - [ 0.0001126500000000, 0.0000000000000000, -0.0057632600000000 ] - [ 0.0031114800000000, -0.0000140700000000, 0.0030693700000000 ] - [ 0.0031114800000000, 0.0000140700000000, 0.0030693700000000 ] - [ 0.0013333500000000, 0.0000000000000000, -0.0018544200000000 ] - [ 0.0011052500000000, 0.0000000000000000, -0.0017275500000000 ] - [ -0.0005069700000000, 0.0000000000000000, 0.0026260500000000 ] - [ -0.0016804900000000, 0.0000000000000000, 0.0016893200000000 ] - [ -0.0024707900000000, 0.0039925900000000, -0.0126288900000000 ] - [ -0.0024707900000000, -0.0039925900000000, -0.0126288900000000 ] - [ 0.0036398400000000, 0.0000000000000000, 0.0034892000000000 ] - [ -0.0000595600000000, 0.0000000000000000, 0.0026375200000000 ] - [ 0.0055313200000000, 0.0001160200000000, 0.0015690300000000 ] - [ 0.0055313200000000, -0.0001160200000000, 0.0015690300000000 ] - [ -0.0460406300000000, 0.0000000000000000, 0.0171005700000000 ] - [ -0.0081912000000000, 0.0000000000000000, 0.0076886200000000 ] - [ 0.0000887500000000, 0.0001247400000000, -0.0007097400000000 ] - [ 0.0000887500000000, -0.0001247400000000, -0.0007097400000000 ] - [ 0.0041873600000000, -0.0003178900000000, 0.0009915800000000 ] - [ 0.0041873600000000, 0.0003178900000000, 0.0009915800000000 ] - [ 0.0003523600000000, -0.0000104500000000, -0.0010220400000000 ] - [ 0.0003523600000000, 0.0000104500000000, -0.0010220400000000 ] - [ 0.0025871300000000, 0.0000000000000000, -0.0027882600000000 ] - [ 0.0018505300000000, 0.0000000000000000, -0.0008580400000000 ] - [ 0.0005377500000000, 0.0000000000000000, -0.0008022500000000 ] - [ 0.0015100400000000, 0.0000000000000000, -0.0002308700000000 ] - [ 0.1570097800000000, 0.0000000000000000, -0.0372245000000000 ] - [ 0.0153426400000000, 0.0000000000000000, -0.0006094200000000 ] - [ -0.0013998800000000, 0.0002406000000000, -0.0021661700000000 ] - [ -0.0013998800000000, -0.0002406000000000, -0.0021661700000000 ] - [ -0.0004610700000000, 0.0000000000000000, -0.0021951900000000 ] - [ -0.0003715800000000, 0.0000000000000000, -0.0017231200000000 ] - [ 0.0040997800000000, -0.0007666000000000, -0.0013233400000000 ] - [ 0.0040997800000000, 0.0007666000000000, -0.0013233400000000 ] - [ -0.0035526700000000, 0.0124353900000000, -0.0038365700000000 ] - [ -0.0035526700000000, -0.0124353900000000, -0.0038365700000000 ] - [ -0.0041475700000000, 0.0000000000000000, 0.0000476900000000 ] - [ -0.0040307200000000, 0.0000000000000000, 0.0001099400000000 ] - [ -0.0111026400000000, 0.0000000000000000, -0.0029239500000000 ] - [ 0.0038930400000000, 0.0000000000000000, -0.0015240900000000 ] - [ 0.0006878500000000, -0.0000338700000000, 0.0017814800000000 ] - [ 0.0006878500000000, 0.0000338700000000, 0.0017814800000000 ] - [ -0.0144461600000000, 0.0000000000000000, 0.0372531400000000 ] - [ 0.0009775900000000, 0.0000000000000000, 0.0025477400000000 ] - [ -0.0026371100000000, 0.0003967600000000, -0.0009166900000000 ] - [ -0.0026371100000000, -0.0003967600000000, -0.0009166900000000 ] - [ -0.0013981600000000, 0.0000000000000000, 0.0000130300000000 ] - [ -0.0013546000000000, 0.0000000000000000, 0.0000002700000000 ] - [ 0.0089737200000000, 0.0000000000000000, 0.0012473400000000 ] - [ 0.0032032800000000, 0.0000000000000000, 0.0001895000000000 ] - [ -0.0007022600000000, 0.0000000000000000, -0.0028370600000000 ] - [ -0.0006797300000000, 0.0000000000000000, -0.0027950500000000 ] - [ -0.0011128000000000, 0.0006399300000000, 0.0024894800000000 ] - [ -0.0011128000000000, -0.0006399300000000, 0.0024894800000000 ] - [ -0.0055325000000000, 0.0030802700000000, 0.0015516600000000 ] - [ -0.0055325000000000, -0.0030802700000000, 0.0015516600000000 ] - [ -0.0006008800000000, 0.0000049200000000, -0.0001002600000000 ] - [ -0.0006008800000000, -0.0000049200000000, -0.0001002600000000 ] - [ 0.0002765900000000, 0.0000000000000000, -0.0007867500000000 ] - [ -0.0000645900000000, 0.0000000000000000, -0.0002349800000000 ] - [ 0.0034980300000000, 0.0000000000000000, 0.0036295900000000 ] - [ 0.0050921700000000, 0.0000000000000000, 0.0025848600000000 ] - [ 0.0004657200000000, 0.0000000000000000, 0.0103359100000000 ] - [ 0.0007138200000000, 0.0000000000000000, 0.0059334900000000 ] - [ 0.0001907400000000, -0.0001100300000000, 0.0008239800000000 ] - [ 0.0001907400000000, 0.0001100300000000, 0.0008239800000000 ] - [ 0.0011482100000000, 0.0000371100000000, 0.0007857100000000 ] - [ 0.0011482100000000, -0.0000371100000000, 0.0007857100000000 ] - [ -0.0026149900000000, -0.0000183200000000, -0.0001673900000000 ] - [ -0.0026149900000000, 0.0000183200000000, -0.0001673900000000 ] - [ -0.0018738700000000, 0.0000000000000000, 0.0012157900000000 ] - [ -0.0012651800000000, 0.0000000000000000, 0.0007803400000000 ] - [ -0.0001378000000000, -0.0000741100000000, 0.0060976000000000 ] - [ -0.0001378000000000, 0.0000741100000000, 0.0060976000000000 ] - [ 0.0029941800000000, 0.0000000000000000, -0.0002439300000000 ] - [ 0.0029973600000000, 0.0000000000000000, -0.0002402300000000 ] - [ -0.0020091300000000, 0.0000000000000000, 0.0001575200000000 ] - [ -0.0015071800000000, 0.0000000000000000, 0.0001111500000000 ] - [ -0.0040797100000000, -0.0005389200000000, 0.0020952100000000 ] - [ -0.0040797100000000, 0.0005389200000000, 0.0020952100000000 ] - [ 0.0026653600000000, -0.0006042800000000, -0.0013100500000000 ] - [ 0.0026653600000000, 0.0006042800000000, -0.0013100500000000 ] - [ -0.0035289500000000, 0.0000000000000000, 0.0097083400000000 ] - [ 0.0012151800000000, 0.0000000000000000, 0.0039685500000000 ] - [ -0.0002394200000000, -0.0000342800000000, -0.0004396000000000 ] - [ -0.0002394200000000, 0.0000342800000000, -0.0004396000000000 ] - [ -0.0119706700000000, 0.0000000000000000, 0.0052021600000000 ] - [ -0.0029211600000000, 0.0000000000000000, 0.0008543600000000 ] - [ 0.0055249600000000, -0.0016412600000000, 0.0019402400000000 ] - [ 0.0055249600000000, 0.0016412600000000, 0.0019402400000000 ] - [ -0.0018645700000000, -0.0000037400000000, -0.0003025200000000 ] - [ -0.0018645700000000, 0.0000037400000000, -0.0003025200000000 ] - [ -0.0068945800000000, -0.0211553300000000, 0.0011422800000000 ] - [ -0.0068945800000000, 0.0211553300000000, 0.0011422800000000 ] - [ -0.0009194300000000, 0.0000000000000000, -0.0041267700000000 ] - [ -0.0005992900000000, 0.0000000000000000, -0.0029966700000000 ] - [ -0.0059555900000000, 0.0000000000000000, -0.0011100200000000 ] - [ -0.0057529400000000, 0.0000000000000000, -0.0010579400000000 ] - [ 0.0064939700000000, 0.0000000000000000, -0.0245410200000000 ] - [ 0.0001604200000000, 0.0000000000000000, -0.0030798400000000 ]- atom: 47 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0003378300000000, 0.0000826600000000, -0.0036724400000000 ] - [ 0.0003378300000000, -0.0000826600000000, -0.0036724400000000 ] - [ -0.0048003200000000, 0.0000243700000000, -0.0004280300000000 ] - [ -0.0048003200000000, -0.0000243700000000, -0.0004280300000000 ] - [ 0.0580513900000000, 0.0000000000000000, -0.0136268700000000 ] - [ 0.0093667500000000, 0.0000000000000000, 0.0004423200000000 ] - [ -0.0000742600000000, 0.0000000000000000, 0.0057513900000000 ] - [ 0.0013598000000000, 0.0000000000000000, 0.0031795900000000 ] - [ 0.0028813600000000, 0.0000000000000000, -0.0101757400000000 ] - [ -0.0008131300000000, 0.0000000000000000, -0.0025101700000000 ] - [ -0.0040751500000000, -0.0002298700000000, -0.0006360700000000 ] - [ -0.0040751500000000, 0.0002298700000000, -0.0006360700000000 ] - [ 0.0049956300000000, 0.0007375900000000, -0.0064526100000000 ] - [ 0.0049956300000000, -0.0007375900000000, -0.0064526100000000 ] - [ -0.0048062700000000, 0.0012122300000000, 0.0063417100000000 ] - [ -0.0048062700000000, -0.0012122300000000, 0.0063417100000000 ] - [ -0.0033657500000000, 0.0000000000000000, -0.0039989400000000 ] - [ -0.0032617400000000, 0.0000000000000000, -0.0037211300000000 ] - [ -0.0110033500000000, 0.0063171600000000, 0.0008220300000000 ] - [ -0.0110033500000000, -0.0063171600000000, 0.0008220300000000 ] - [ 0.0087412100000000, 0.0000000000000000, 0.0265130500000000 ] - [ 0.0071128400000000, 0.0000000000000000, 0.0051965200000000 ] - [ -0.0049043900000000, 0.0000149800000000, 0.0023103500000000 ] - [ -0.0049043900000000, -0.0000149800000000, 0.0023103500000000 ] - [ -0.0023767800000000, 0.0000000000000000, -0.0017910300000000 ] - [ -0.0021506800000000, 0.0000000000000000, -0.0019204900000000 ] - [ -0.0060612800000000, 0.0000000000000000, -0.0042354300000000 ] - [ -0.0048811700000000, 0.0000000000000000, -0.0032901700000000 ] - [ 0.0000824100000000, -0.0039706000000000, 0.0082724800000000 ] - [ 0.0000824100000000, 0.0039706000000000, 0.0082724800000000 ] - [ -0.0115115500000000, 0.0000000000000000, 0.0002348000000000 ] - [ -0.0077654400000000, 0.0000000000000000, 0.0010933500000000 ] - [ 0.0016591900000000, -0.0001174400000000, -0.0021366800000000 ] - [ 0.0016591900000000, 0.0001174400000000, -0.0021366800000000 ] - [ 0.0429532400000000, 0.0000000000000000, -0.0119728900000000 ] - [ 0.0063861900000000, 0.0000000000000000, -0.0023007500000000 ] - [ -0.0003268600000000, -0.0001241500000000, 0.0014669900000000 ] - [ -0.0003268600000000, 0.0001241500000000, 0.0014669900000000 ] - [ 0.0057638800000000, 0.0003192100000000, 0.0019161800000000 ] - [ 0.0057638800000000, -0.0003192100000000, 0.0019161800000000 ] - [ 0.0008983800000000, 0.0000102900000000, 0.0026932500000000 ] - [ 0.0008983800000000, -0.0000102900000000, 0.0026932500000000 ] - [ -0.0013697600000000, 0.0000000000000000, 0.0046005800000000 ] - [ -0.0006122200000000, 0.0000000000000000, 0.0026775200000000 ] - [ 0.0035976300000000, 0.0000000000000000, 0.0010714600000000 ] - [ 0.0026158000000000, 0.0000000000000000, 0.0004924300000000 ] - [ -0.1582451200000000, 0.0000000000000000, 0.0373918800000000 ] - [ -0.0150921600000000, 0.0000000000000000, 0.0005815900000000 ] - [ 0.0000582000000000, -0.0002400100000000, 0.0022779500000000 ] - [ 0.0000582000000000, 0.0002400100000000, 0.0022779500000000 ] - [ 0.0003249800000000, 0.0000000000000000, 0.0020528200000000 ] - [ 0.0002346300000000, 0.0000000000000000, 0.0015811600000000 ] - [ 0.0023954000000000, 0.0007776400000000, 0.0010292600000000 ] - [ 0.0023954000000000, -0.0007776400000000, 0.0010292600000000 ] - [ 0.0027689400000000, -0.0124856100000000, 0.0041227700000000 ] - [ 0.0027689400000000, 0.0124856100000000, 0.0041227700000000 ] - [ -0.0019735500000000, 0.0000000000000000, 0.0010934000000000 ] - [ -0.0020903700000000, 0.0000000000000000, 0.0010305700000000 ] - [ 0.0190582300000000, 0.0000000000000000, 0.0001278200000000 ] - [ 0.0039965000000000, 0.0000000000000000, -0.0012625800000000 ] - [ 0.0023500200000000, 0.0000337600000000, 0.0027395900000000 ] - [ 0.0023500200000000, -0.0000337600000000, 0.0027395900000000 ] - [ 0.0151628100000000, 0.0000000000000000, -0.0366678600000000 ] - [ -0.0005676700000000, 0.0000000000000000, -0.0014066800000000 ] - [ 0.0056131600000000, -0.0003967000000000, 0.0015766100000000 ] - [ 0.0056131600000000, 0.0003967000000000, 0.0015766100000000 ] - [ 0.0018920200000000, 0.0000000000000000, 0.0001424900000000 ] - [ 0.0018495000000000, 0.0000000000000000, 0.0001562600000000 ] - [ -0.0100704300000000, 0.0000000000000000, -0.0014959500000000 ] - [ -0.0041975000000000, 0.0000000000000000, -0.0004530500000000 ] - [ 0.0008841500000000, 0.0000000000000000, -0.0018557900000000 ] - [ 0.0008618300000000, 0.0000000000000000, -0.0018968900000000 ] - [ 0.0005124100000000, -0.0006427700000000, -0.0049097500000000 ] - [ 0.0005124100000000, 0.0006427700000000, -0.0049097500000000 ] - [ -0.0045297300000000, -0.0031141300000000, -0.0030125200000000 ] - [ -0.0045297300000000, 0.0031141300000000, -0.0030125200000000 ] - [ 0.0002069400000000, -0.0000053700000000, 0.0004729100000000 ] - [ 0.0002069400000000, 0.0000053700000000, 0.0004729100000000 ] - [ -0.0005161600000000, 0.0000000000000000, 0.0015360000000000 ] - [ -0.0001765600000000, 0.0000000000000000, 0.0009801200000000 ] - [ 0.0064755100000000, 0.0000000000000000, -0.0007380000000000 ] - [ 0.0048581900000000, 0.0000000000000000, 0.0003197200000000 ] - [ 0.0007735500000000, 0.0000000000000000, -0.0087300100000000 ] - [ 0.0005343700000000, 0.0000000000000000, -0.0042627400000000 ] - [ 0.0010497000000000, 0.0001082400000000, 0.0009897400000000 ] - [ 0.0010497000000000, -0.0001082400000000, 0.0009897400000000 ] - [ 0.0030032200000000, -0.0000380000000000, -0.0005275800000000 ] - [ 0.0030032200000000, 0.0000380000000000, -0.0005275800000000 ] - [ 0.0028957600000000, 0.0000182500000000, 0.0001376100000000 ] - [ 0.0028957600000000, -0.0000182500000000, 0.0001376100000000 ] - [ 0.0005223600000000, 0.0000000000000000, -0.0011238800000000 ] - [ -0.0000902800000000, 0.0000000000000000, -0.0006797700000000 ] - [ 0.0000030000000000, 0.0000702900000000, -0.0062623700000000 ] - [ 0.0000030000000000, -0.0000702900000000, -0.0062623700000000 ] - [ 0.0035091300000000, 0.0000000000000000, -0.0000555800000000 ] - [ 0.0035052000000000, 0.0000000000000000, -0.0000594300000000 ] - [ 0.0012702900000000, 0.0000000000000000, 0.0001043300000000 ] - [ 0.0007634700000000, 0.0000000000000000, 0.0001535600000000 ] - [ -0.0020324300000000, 0.0005374500000000, -0.0009679600000000 ] - [ -0.0020324300000000, -0.0005374500000000, -0.0009679600000000 ] - [ 0.0052284800000000, 0.0006119800000000, -0.0014793300000000 ] - [ 0.0052284800000000, -0.0006119800000000, -0.0014793300000000 ] - [ 0.0064722600000000, 0.0000000000000000, -0.0051171300000000 ] - [ 0.0018231000000000, 0.0000000000000000, 0.0005422400000000 ] - [ 0.0006545700000000, 0.0000342800000000, 0.0015755600000000 ] - [ 0.0006545700000000, -0.0000342800000000, 0.0015755600000000 ] - [ 0.0150684100000000, 0.0000000000000000, -0.0045635500000000 ] - [ 0.0058972100000000, 0.0000000000000000, -0.0002023900000000 ] - [ -0.0050132800000000, 0.0016287300000000, -0.0017825900000000 ] - [ -0.0050132800000000, -0.0016287300000000, -0.0017825900000000 ] - [ 0.0008886100000000, 0.0000036100000000, 0.0000379800000000 ] - [ 0.0008886100000000, -0.0000036100000000, 0.0000379800000000 ] - [ 0.0070583900000000, 0.0211034300000000, -0.0058911900000000 ] - [ 0.0070583900000000, -0.0211034300000000, -0.0058911900000000 ] - [ 0.0003189200000000, 0.0000000000000000, 0.0017110200000000 ] - [ -0.0000028500000000, 0.0000000000000000, 0.0005701300000000 ] - [ -0.0041081600000000, 0.0000000000000000, -0.0003407200000000 ] - [ -0.0043105400000000, 0.0000000000000000, -0.0003935800000000 ] - [ -0.0067448900000000, 0.0000000000000000, 0.0248173300000000 ] - [ -0.0005575300000000, 0.0000000000000000, 0.0034560200000000 ]- atom: 49 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0893317100000000, 0.0000000000000000, 0.0088353200000000 ] - [ 0.0164069600000000, 0.0000000000000000, 0.0011366100000000 ] - [ 0.0054182600000000, 0.0000000000000000, 0.0200272600000000 ] - [ 0.0020973500000000, 0.0000000000000000, 0.0082407300000000 ] - [ -0.0009669500000000, 0.0052182000000000, -0.0087036100000000 ] - [ -0.0009669500000000, -0.0052182000000000, -0.0087036100000000 ] - [ -0.0033575800000000, 0.0009042400000000, -0.0034279500000000 ] - [ -0.0033575800000000, -0.0009042400000000, -0.0034279500000000 ] - [ -0.0087147300000000, 0.0000027400000000, -0.0042427500000000 ] - [ -0.0087147300000000, -0.0000027400000000, -0.0042427500000000 ] - [ -0.0039654300000000, 0.0000000000000000, -0.0023184800000000 ] - [ -0.0030799300000000, 0.0000000000000000, -0.0012339900000000 ] - [ 0.0222066600000000, 0.0000000000000000, -0.0157829400000000 ] - [ 0.0100910600000000, 0.0000000000000000, 0.0050933100000000 ] - [ -0.0029391600000000, 0.0000000000000000, 0.0075523900000000 ] - [ -0.0020235900000000, 0.0000000000000000, 0.0035394700000000 ] - [ -0.0135977700000000, -0.0053773700000000, -0.0019108800000000 ] - [ -0.0135977700000000, 0.0053773700000000, -0.0019108800000000 ] - [ 0.0276112600000000, 0.0000000000000000, 0.0050477600000000 ] - [ 0.0065920300000000, 0.0000000000000000, 0.0054389600000000 ] - [ 0.0009903700000000, 0.0002301600000000, -0.0033132800000000 ] - [ 0.0009903700000000, -0.0002301600000000, -0.0033132800000000 ] - [ -0.0045351500000000, 0.0000000000000000, 0.0093487000000000 ] - [ 0.0010563800000000, 0.0000000000000000, 0.0079568200000000 ] - [ -0.0085802700000000, -0.0001674800000000, -0.0034164100000000 ] - [ -0.0085802700000000, 0.0001674800000000, -0.0034164100000000 ] - [ -0.0081901900000000, -0.0010440100000000, -0.0071753900000000 ] - [ -0.0081901900000000, 0.0010440100000000, -0.0071753900000000 ] - [ -0.0201827200000000, 0.0000000000000000, -0.0003028700000000 ] - [ -0.0089463300000000, 0.0000000000000000, -0.0011545300000000 ] - [ -0.0090512300000000, -0.0001235000000000, -0.0022557600000000 ] - [ -0.0090512300000000, 0.0001235000000000, -0.0022557600000000 ] - [ 0.0084376000000000, 0.0000000000000000, -0.0256555700000000 ] - [ 0.0083552000000000, 0.0000000000000000, -0.0053584600000000 ] - [ -0.0074081900000000, 0.0006652300000000, -0.0009927800000000 ] - [ -0.0074081900000000, -0.0006652300000000, -0.0009927800000000 ] - [ 0.0019715000000000, 0.0000000000000000, -0.0289642700000000 ] - [ -0.0013684700000000, 0.0000000000000000, -0.0065723000000000 ] - [ 0.0068305200000000, 0.0000000000000000, 0.0033321900000000 ] - [ 0.0054120800000000, 0.0000000000000000, 0.0025214600000000 ] - [ 0.0000807100000000, 0.0000000000000000, 0.0421503600000000 ] - [ -0.0007365000000000, 0.0000000000000000, 0.0059307900000000 ] - [ 0.0088742200000000, -0.0257507800000000, 0.0059282500000000 ] - [ 0.0088742200000000, 0.0257507800000000, 0.0059282500000000 ] - [ 0.0064427200000000, 0.0000278100000000, 0.0008721200000000 ] - [ 0.0064427200000000, -0.0000278100000000, 0.0008721200000000 ] - [ 0.0041972100000000, -0.0005507500000000, 0.0014860200000000 ] - [ 0.0041972100000000, 0.0005507500000000, 0.0014860200000000 ] - [ -0.2222137200000000, 0.0000000000000000, -0.0074641600000000 ] - [ -0.0187763900000000, 0.0000000000000000, -0.0018429100000000 ] - [ 0.0014431500000000, 0.0005158100000000, 0.0043081300000000 ] - [ 0.0014431500000000, -0.0005158100000000, 0.0043081300000000 ] - [ 0.0043016900000000, 0.0000000000000000, 0.0007775800000000 ] - [ 0.0042940500000000, 0.0000000000000000, 0.0007687600000000 ] - [ 0.0075574500000000, 0.0000000000000000, 0.0169104700000000 ] - [ -0.0037750600000000, 0.0000000000000000, 0.0018716000000000 ] - [ 0.0058616000000000, 0.0221107900000000, 0.0001262300000000 ] - [ 0.0058616000000000, -0.0221107900000000, 0.0001262300000000 ] - [ -0.0007860800000000, -0.0003388100000000, -0.0004642500000000 ] - [ -0.0007860800000000, 0.0003388100000000, -0.0004642500000000 ] - [ 0.0149292800000000, 0.0000000000000000, -0.0019231800000000 ] - [ 0.0026033600000000, 0.0000000000000000, 0.0003829300000000 ] - [ -0.0001164900000000, -0.0004912900000000, 0.0055018100000000 ] - [ -0.0001164900000000, 0.0004912900000000, 0.0055018100000000 ] - [ 0.0096821800000000, 0.0000000000000000, -0.0205538700000000 ] - [ -0.0047532800000000, 0.0000000000000000, -0.0034931900000000 ] - [ 0.0085430500000000, 0.0003922200000000, -0.0004213400000000 ] - [ 0.0085430500000000, -0.0003922200000000, -0.0004213400000000 ] - [ 0.0031630300000000, -0.0000073900000000, 0.0005078900000000 ] - [ 0.0031630300000000, 0.0000073900000000, 0.0005078900000000 ] - [ 0.0005419000000000, 0.0015752600000000, -0.0046464200000000 ] - [ 0.0005419000000000, -0.0015752600000000, -0.0046464200000000 ] - [ -0.0002509900000000, 0.0000000000000000, -0.0076518200000000 ] - [ -0.0009882800000000, 0.0000000000000000, -0.0039599100000000 ] - [ -0.0046926100000000, 0.0000000000000000, -0.0006345100000000 ] - [ -0.0050159100000000, 0.0000000000000000, -0.0004345600000000 ] - [ -0.0005550800000000, 0.0000000000000000, -0.0064893100000000 ] - [ -0.0009337100000000, 0.0000000000000000, -0.0045054400000000 ] - [ 0.0008585000000000, 0.0000050400000000, 0.0030427400000000 ] - [ 0.0008585000000000, -0.0000050400000000, 0.0030427400000000 ] - [ 0.0050499200000000, -0.0003459600000000, 0.0007438800000000 ] - [ 0.0050499200000000, 0.0003459600000000, 0.0007438800000000 ] - [ 0.0012034000000000, -0.0001140000000000, 0.0017829100000000 ] - [ 0.0012034000000000, 0.0001140000000000, 0.0017829100000000 ] - [ 0.0021577500000000, 0.0000000000000000, 0.0014649200000000 ] - [ 0.0020336500000000, 0.0000000000000000, 0.0011581500000000 ] - [ 0.0013797300000000, 0.0000000000000000, -0.0025075400000000 ] - [ 0.0002295900000000, 0.0000000000000000, -0.0009322300000000 ] - [ 0.0019993100000000, 0.0000000000000000, -0.0003001700000000 ] - [ 0.0005501100000000, 0.0000000000000000, -0.0004466700000000 ] - [ 0.0046449400000000, -0.0000487100000000, 0.0012483200000000 ] - [ 0.0046449400000000, 0.0000487100000000, 0.0012483200000000 ] - [ 0.0009933000000000, 0.0000000000000000, -0.0070656300000000 ] - [ 0.0002864500000000, 0.0000000000000000, -0.0032524600000000 ] - [ 0.0018793500000000, -0.0009775700000000, -0.0031000400000000 ] - [ 0.0018793500000000, 0.0009775700000000, -0.0031000400000000 ] - [ 0.0013661000000000, 0.0003436200000000, 0.0005516100000000 ] - [ 0.0013661000000000, -0.0003436200000000, 0.0005516100000000 ] - [ 0.0019572900000000, 0.0000000000000000, 0.0012243000000000 ] - [ -0.0004833500000000, 0.0000000000000000, 0.0008680100000000 ] - [ 0.0054555000000000, 0.0000000000000000, -0.0009352700000000 ] - [ 0.0051938500000000, 0.0000000000000000, -0.0010107500000000 ] - [ 0.0040230700000000, -0.0015657700000000, 0.0033744800000000 ] - [ 0.0040230700000000, 0.0015657700000000, 0.0033744800000000 ] - [ 0.0007144800000000, 0.0000000000000000, 0.0055482500000000 ] - [ 0.0002321700000000, 0.0000000000000000, 0.0027200700000000 ] - [ 0.0064614800000000, -0.0000942000000000, 0.0016796000000000 ] - [ 0.0064614800000000, 0.0000942000000000, 0.0016796000000000 ] - [ 0.0383225500000000, 0.0000000000000000, 0.0055376600000000 ] - [ 0.0078601000000000, 0.0000000000000000, -0.0007154000000000 ] - [ -0.0139983800000000, 0.0000000000000000, 0.0006853200000000 ] - [ -0.0071497600000000, 0.0000000000000000, -0.0003910000000000 ] - [ 0.0016556700000000, 0.0000000000000000, -0.0004323400000000 ] - [ 0.0012436200000000, 0.0000000000000000, -0.0013864200000000 ] - [ 0.0002394100000000, 0.0001119100000000, 0.0028665400000000 ] - [ 0.0002394100000000, -0.0001119100000000, 0.0028665400000000 ] - [ -0.0038981700000000, 0.0029843300000000, 0.0011930200000000 ] - [ -0.0038981700000000, -0.0029843300000000, 0.0011930200000000 ] - [ 0.0007999100000000, -0.0000167200000000, 0.0036583100000000 ] - [ 0.0007999100000000, 0.0000167200000000, 0.0036583100000000 ]- atom: 49 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ -0.0780795400000000, 0.0000000000000000, -0.0090913300000000 ] - [ -0.0119206600000000, 0.0000000000000000, -0.0034485300000000 ] - [ -0.0123377300000000, 0.0000000000000000, -0.0203491500000000 ] - [ -0.0090769500000000, 0.0000000000000000, -0.0083830400000000 ] - [ -0.0018581100000000, -0.0052176400000000, 0.0086942700000000 ] - [ -0.0018581100000000, 0.0052176400000000, 0.0086942700000000 ] - [ 0.0077491800000000, -0.0009104700000000, 0.0010433000000000 ] - [ 0.0077491800000000, 0.0009104700000000, 0.0010433000000000 ] - [ 0.0016605300000000, 0.0000001400000000, 0.0041231300000000 ] - [ 0.0016605300000000, -0.0000001400000000, 0.0041231300000000 ] - [ 0.0013059500000000, 0.0000000000000000, 0.0022208700000000 ] - [ 0.0004089500000000, 0.0000000000000000, 0.0011434200000000 ] - [ -0.0278569600000000, 0.0000000000000000, 0.0133313200000000 ] - [ -0.0112405100000000, 0.0000000000000000, -0.0087765000000000 ] - [ -0.0035996100000000, 0.0000000000000000, -0.0094497800000000 ] - [ -0.0045237900000000, 0.0000000000000000, -0.0052780100000000 ] - [ 0.0112093800000000, 0.0053484300000000, -0.0024742400000000 ] - [ 0.0112093800000000, -0.0053484300000000, -0.0024742400000000 ] - [ -0.0354836800000000, 0.0000000000000000, -0.0024264700000000 ] - [ -0.0143238500000000, 0.0000000000000000, -0.0017271100000000 ] - [ 0.0061800700000000, -0.0002265400000000, 0.0027012000000000 ] - [ 0.0061800700000000, 0.0002265400000000, 0.0027012000000000 ] - [ 0.0028789000000000, 0.0000000000000000, -0.0039627400000000 ] - [ -0.0027561000000000, 0.0000000000000000, -0.0025697500000000 ] - [ 0.0075339900000000, 0.0001642500000000, -0.0002541500000000 ] - [ 0.0075339900000000, -0.0001642500000000, -0.0002541500000000 ] - [ 0.0015897000000000, 0.0010340200000000, 0.0055732500000000 ] - [ 0.0015897000000000, -0.0010340200000000, 0.0055732500000000 ] - [ 0.0179615700000000, 0.0000000000000000, -0.0041541200000000 ] - [ 0.0066146000000000, 0.0000000000000000, -0.0032814400000000 ] - [ 0.0012218300000000, 0.0001181300000000, 0.0059788100000000 ] - [ 0.0012218300000000, -0.0001181300000000, 0.0059788100000000 ] - [ -0.0012193000000000, 0.0000000000000000, 0.0248848800000000 ] - [ -0.0011372900000000, 0.0000000000000000, 0.0047897700000000 ] - [ 0.0056074800000000, -0.0006694500000000, 0.0063998600000000 ] - [ 0.0056074800000000, 0.0006694500000000, 0.0063998600000000 ] - [ -0.0021438200000000, 0.0000000000000000, 0.0302875400000000 ] - [ 0.0011439300000000, 0.0000000000000000, 0.0073615900000000 ] - [ 0.0031381600000000, 0.0000000000000000, -0.0004175300000000 ] - [ 0.0045410600000000, 0.0000000000000000, 0.0003859300000000 ] - [ 0.0010412100000000, 0.0000000000000000, -0.0399510700000000 ] - [ 0.0019753600000000, 0.0000000000000000, -0.0042468300000000 ] - [ -0.0076675800000000, 0.0261296300000000, -0.0042021400000000 ] - [ -0.0076675800000000, -0.0261296300000000, -0.0042021400000000 ] - [ -0.0022886700000000, -0.0000274200000000, -0.0006137800000000 ] - [ -0.0022886700000000, 0.0000274200000000, -0.0006137800000000 ] - [ -0.0038911900000000, 0.0005510800000000, -0.0015293800000000 ] - [ -0.0038911900000000, -0.0005510800000000, -0.0015293800000000 ] - [ 0.2190535400000000, 0.0000000000000000, 0.0045172800000000 ] - [ 0.0174500100000000, 0.0000000000000000, 0.0018802600000000 ] - [ -0.0015821600000000, -0.0005131500000000, -0.0044564700000000 ] - [ -0.0015821600000000, 0.0005131500000000, -0.0044564700000000 ] - [ 0.0022077800000000, 0.0000000000000000, -0.0010759700000000 ] - [ 0.0022152000000000, 0.0000000000000000, -0.0010672100000000 ] - [ -0.0083358800000000, 0.0000000000000000, -0.0168635300000000 ] - [ 0.0030884000000000, 0.0000000000000000, -0.0016448200000000 ] - [ -0.0120249200000000, -0.0219513500000000, 0.0009782700000000 ] - [ -0.0120249200000000, 0.0219513500000000, 0.0009782700000000 ] - [ 0.0087744900000000, 0.0000616200000000, -0.0021637700000000 ] - [ 0.0087744900000000, -0.0000616200000000, -0.0021637700000000 ] - [ -0.0117955000000000, 0.0000000000000000, 0.0064024300000000 ] - [ 0.0004393100000000, 0.0000000000000000, 0.0041231300000000 ] - [ 0.0005579900000000, 0.0004926400000000, -0.0043733800000000 ] - [ 0.0005579900000000, -0.0004926400000000, -0.0043733800000000 ] - [ -0.0067007200000000, 0.0000000000000000, 0.0209880400000000 ] - [ 0.0076267100000000, 0.0000000000000000, 0.0041258900000000 ] - [ -0.0080369600000000, -0.0003915100000000, 0.0005707600000000 ] - [ -0.0080369600000000, 0.0003915100000000, 0.0005707600000000 ] - [ -0.0041179200000000, 0.0000073400000000, -0.0007670500000000 ] - [ -0.0041179200000000, -0.0000073400000000, -0.0007670500000000 ] - [ -0.0003826500000000, -0.0015778300000000, -0.0000595600000000 ] - [ -0.0003826500000000, 0.0015778300000000, -0.0000595600000000 ] - [ -0.0003447400000000, 0.0000000000000000, 0.0058371700000000 ] - [ 0.0003684500000000, 0.0000000000000000, 0.0016721800000000 ] - [ -0.0053585600000000, 0.0000000000000000, -0.0008009900000000 ] - [ -0.0050394400000000, 0.0000000000000000, -0.0010063400000000 ] - [ 0.0001386600000000, 0.0000000000000000, 0.0069106200000000 ] - [ 0.0005247300000000, 0.0000000000000000, 0.0048871500000000 ] - [ -0.0010902700000000, -0.0000050000000000, -0.0022804600000000 ] - [ -0.0010902700000000, 0.0000050000000000, -0.0022804600000000 ] - [ 0.0049138200000000, 0.0003291700000000, 0.0021897000000000 ] - [ 0.0049138200000000, -0.0003291700000000, 0.0021897000000000 ] - [ 0.0000486300000000, 0.0001148300000000, -0.0000614900000000 ] - [ 0.0000486300000000, -0.0001148300000000, -0.0000614900000000 ] - [ -0.0009112900000000, 0.0000000000000000, 0.0003585900000000 ] - [ -0.0007881900000000, 0.0000000000000000, 0.0006591800000000 ] - [ 0.0026206600000000, 0.0000000000000000, 0.0028088400000000 ] - [ 0.0038546400000000, 0.0000000000000000, 0.0012059100000000 ] - [ -0.0017938500000000, 0.0000000000000000, 0.0002657400000000 ] - [ -0.0003068600000000, 0.0000000000000000, 0.0004129800000000 ] - [ -0.0059925000000000, 0.0000491700000000, -0.0011407300000000 ] - [ -0.0059925000000000, -0.0000491700000000, -0.0011407300000000 ] - [ -0.0011337900000000, 0.0000000000000000, 0.0070705000000000 ] - [ -0.0004294400000000, 0.0000000000000000, 0.0031758300000000 ] - [ 0.0046123900000000, 0.0010453900000000, 0.0028163200000000 ] - [ 0.0046123900000000, -0.0010453900000000, 0.0028163200000000 ] - [ -0.0021096200000000, -0.0003296900000000, -0.0002844900000000 ] - [ -0.0021096200000000, 0.0003296900000000, -0.0002844900000000 ] - [ -0.0081016700000000, 0.0000000000000000, -0.0000860100000000 ] - [ -0.0056437700000000, 0.0000000000000000, 0.0002729600000000 ] - [ 0.0024411900000000, 0.0000000000000000, -0.0018487600000000 ] - [ 0.0026952000000000, 0.0000000000000000, -0.0017734100000000 ] - [ -0.0009889200000000, 0.0015778700000000, 0.0011391500000000 ] - [ -0.0009889200000000, -0.0015778700000000, 0.0011391500000000 ] - [ -0.0002985300000000, 0.0000000000000000, -0.0043789200000000 ] - [ 0.0001787900000000, 0.0000000000000000, -0.0015545100000000 ] - [ -0.0034805400000000, 0.0000948600000000, -0.0010232400000000 ] - [ -0.0034805400000000, -0.0000948600000000, -0.0010232400000000 ] - [ -0.0383013800000000, 0.0000000000000000, -0.0054785500000000 ] - [ -0.0074243500000000, 0.0000000000000000, 0.0008697200000000 ] - [ 0.0129671800000000, 0.0000000000000000, -0.0009246400000000 ] - [ 0.0061512500000000, 0.0000000000000000, 0.0001279100000000 ] - [ -0.0014754400000000, 0.0000000000000000, -0.0042731400000000 ] - [ -0.0010611000000000, 0.0000000000000000, -0.0033141900000000 ] - [ -0.0008424400000000, -0.0001110000000000, -0.0052843500000000 ] - [ -0.0008424400000000, 0.0001110000000000, -0.0052843500000000 ] - [ -0.0061525100000000, -0.0029514100000000, -0.0026350900000000 ] - [ -0.0061525100000000, 0.0029514100000000, -0.0026350900000000 ] - [ -0.0011960600000000, 0.0000170100000000, -0.0032908800000000 ] - [ -0.0011960600000000, -0.0000170100000000, -0.0032908800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018481100000000, 0.0163896000000000, -0.0012764700000000 ] - [ 0.0021893700000000, -0.0052419900000000, -0.0011897300000000 ] - [ -0.0035067600000000, 0.0001605800000000, -0.0000490800000000 ] - [ -0.0035062700000000, -0.0001446500000000, -0.0000637000000000 ] - [ 0.0006131300000000, 0.0000715700000000, 0.0018719200000000 ] - [ -0.0032849600000000, 0.0000372300000000, -0.0019187400000000 ] - [ 0.0021759600000000, 0.0000044200000000, -0.0011667700000000 ] - [ 0.0022105200000000, -0.0000024100000000, -0.0012041200000000 ] - [ -0.0034476700000000, -0.0000006500000000, -0.0000315100000000 ] - [ -0.0035606000000000, 0.0000007400000000, -0.0000819300000000 ] - [ -0.0013466100000000, 0.0000541900000000, -0.0000300500000000 ] - [ -0.0013475900000000, -0.0000444400000000, -0.0000320400000000 ] - [ -0.0002745500000000, 0.0094593300000000, -0.0019144800000000 ] - [ -0.0005114600000000, -0.0112797200000000, -0.0018500200000000 ] - [ -0.0033040800000000, 0.0000225500000000, -0.0008070000000000 ] - [ -0.0032963100000000, -0.0001599200000000, -0.0007804100000000 ] - [ -0.0033073900000000, 0.0000284000000000, -0.0018232000000000 ] - [ 0.0009196200000000, 0.0000012700000000, -0.0025917800000000 ] - [ -0.0039473400000000, 0.0082591900000000, 0.0019931800000000 ] - [ -0.0039234900000000, -0.0099078300000000, 0.0018865500000000 ] - [ 0.0036160200000000, 0.0000099000000000, 0.0002430900000000 ] - [ 0.0035960800000000, 0.0000051500000000, -0.0008006300000000 ] - [ -0.0008816300000000, 0.0002208200000000, 0.0027052300000000 ] - [ -0.0008936600000000, -0.0001892500000000, 0.0027050200000000 ] - [ -0.0007775600000000, -0.0000126700000000, -0.0018011200000000 ] - [ -0.0002602400000000, -0.0000132600000000, -0.0018770100000000 ] - [ -0.0032675600000000, -0.0000038500000000, -0.0010472200000000 ] - [ -0.0033303400000000, -0.0000071000000000, -0.0005464600000000 ] - [ -0.0012135300000000, -0.0001581800000000, -0.0022089100000000 ] - [ -0.0011717900000000, -0.0001628300000000, -0.0022083000000000 ] - [ -0.0038762300000000, -0.0000033400000000, 0.0018871300000000 ] - [ -0.0039441100000000, -0.0000038900000000, 0.0018555800000000 ] - [ 0.0036074300000000, 0.0003431800000000, -0.0002633700000000 ] - [ 0.0036021400000000, -0.0001312200000000, -0.0002889700000000 ] - [ -0.0004034500000000, 0.0000091500000000, 0.0027084500000000 ] - [ -0.0013619300000000, 0.0000044400000000, 0.0027006200000000 ] - [ -0.0001103400000000, -0.0019347100000000, 0.0003615800000000 ] - [ -0.0001161400000000, 0.0003955000000000, 0.0003940700000000 ] - [ 0.0049750200000000, -0.0000956100000000, 0.0014518600000000 ] - [ 0.0049786200000000, 0.0001098900000000, 0.0014526300000000 ] - [ 0.0006212300000000, -0.0014155800000000, 0.0008189800000000 ] - [ 0.0006251100000000, 0.0004843400000000, 0.0008649800000000 ] - [ -0.0072358700000000, 0.0084539200000000, 0.0005025100000000 ] - [ 0.0083663600000000, 0.0083859600000000, 0.0013217700000000 ] - [ 0.0020892600000000, 0.0000034400000000, 0.0001549800000000 ] - [ 0.0020492600000000, 0.0000039400000000, 0.0001001800000000 ] - [ -0.0006996500000000, 0.0000325700000000, -0.0002175300000000 ] - [ 0.0009475400000000, 0.0000363300000000, 0.0001825300000000 ] - [ -0.0004961400000000, -0.0463696700000000, 0.0001209800000000 ] - [ -0.0006754500000000, 0.0018271200000000, 0.0000499300000000 ] - [ 0.0000660300000000, -0.0000146600000000, 0.0003081700000000 ] - [ -0.0002092600000000, -0.0000122900000000, -0.0004383500000000 ] - [ 0.0032500300000000, -0.0000840700000000, -0.0001500900000000 ] - [ 0.0032498200000000, 0.0000841700000000, -0.0001500900000000 ] - [ -0.0003446000000000, -0.0026914700000000, 0.0001599600000000 ] - [ -0.0003758300000000, 0.0012640900000000, 0.0001308600000000 ] - [ 0.0036643600000000, 0.0028526300000000, 0.0016849900000000 ] - [ -0.0097099300000000, 0.0028494700000000, -0.0005376200000000 ] - [ 0.0028492900000000, 0.0077155400000000, -0.0087421500000000 ] - [ 0.0050279100000000, 0.0076234100000000, 0.0058307900000000 ] - [ 0.0014984700000000, -0.0007088700000000, 0.0022647000000000 ] - [ 0.0015309300000000, 0.0009180500000000, 0.0022609800000000 ] - [ -0.0000503500000000, -0.0000375400000000, -0.0003500300000000 ] - [ 0.0004652700000000, -0.0000334700000000, 0.0014386200000000 ] - [ 0.0014573800000000, -0.0038318100000000, 0.0003483500000000 ] - [ 0.0014949100000000, 0.0003767900000000, 0.0003221900000000 ] - [ 0.0011598800000000, 0.0000261400000000, -0.0001298400000000 ] - [ -0.0006553500000000, 0.0000285300000000, 0.0002819400000000 ] - [ -0.0006159800000000, -0.0000029600000000, -0.0001924900000000 ] - [ -0.0003789700000000, -0.0000026200000000, -0.0000694200000000 ] - [ 0.0001258500000000, -0.0000759000000000, -0.0025757800000000 ] - [ 0.0000558900000000, -0.0000662300000000, -0.0021232800000000 ] - [ -0.0002990400000000, 0.0018620000000000, -0.0011606300000000 ] - [ -0.0002998700000000, 0.0010084000000000, -0.0012421100000000 ] - [ -0.0050295100000000, -0.0001849200000000, -0.0007259600000000 ] - [ -0.0050338700000000, 0.0001814400000000, -0.0007264800000000 ] - [ -0.0002005100000000, 0.0000162400000000, 0.0001829900000000 ] - [ -0.0002008800000000, 0.0000157300000000, 0.0001762200000000 ] - [ -0.0001040300000000, 0.0000023500000000, 0.0004359900000000 ] - [ -0.0001258000000000, 0.0000027600000000, 0.0003283400000000 ] - [ 0.0050349700000000, 0.0000665100000000, 0.0014313600000000 ] - [ 0.0049213100000000, 0.0000854900000000, 0.0014726400000000 ] - [ 0.0006328300000000, 0.0000017100000000, 0.0007467800000000 ] - [ 0.0006153500000000, 0.0000025600000000, 0.0009551600000000 ] - [ 0.0006243900000000, -0.0001309400000000, 0.0009172700000000 ] - [ 0.0006243700000000, 0.0001578200000000, 0.0009141900000000 ] - [ 0.0020641500000000, 0.0000095100000000, 0.0001269600000000 ] - [ 0.0020747300000000, -0.0000148700000000, 0.0001270700000000 ] - [ 0.0001238000000000, -0.0000934400000000, -0.0000170900000000 ] - [ 0.0001351100000000, 0.0000153300000000, -0.0000162400000000 ] - [ -0.0006288200000000, 0.0000088400000000, 0.0000182000000000 ] - [ -0.0007279900000000, 0.0000092100000000, 0.0000823400000000 ] - [ -0.0000693200000000, 0.0001326400000000, -0.0000673500000000 ] - [ -0.0000727400000000, 0.0000185300000000, -0.0000662200000000 ] - [ 0.0031840000000000, -0.0000174100000000, -0.0001227800000000 ] - [ 0.0033125200000000, -0.0000252100000000, -0.0001759800000000 ] - [ -0.0003648400000000, -0.0000005100000000, 0.0001071300000000 ] - [ -0.0003770000000000, -0.0000073000000000, 0.0001594300000000 ] - [ -0.0030528600000000, -0.0000046100000000, 0.0005707600000000 ] - [ -0.0030620400000000, 0.0000855300000000, 0.0005697200000000 ] - [ 0.0039532200000000, -0.0000371100000000, -0.0013929400000000 ] - [ 0.0039489500000000, 0.0000404400000000, -0.0013929600000000 ] - [ 0.0015243800000000, 0.0000659800000000, 0.0022824200000000 ] - [ 0.0015243900000000, 0.0000823100000000, 0.0022382100000000 ] - [ 0.0002092300000000, -0.0000027200000000, 0.0005396700000000 ] - [ 0.0002089900000000, -0.0000006700000000, 0.0005569700000000 ] - [ 0.0014149400000000, 0.0000043900000000, 0.0003391300000000 ] - [ 0.0015506600000000, 0.0000052000000000, 0.0003086900000000 ] - [ 0.0003158900000000, 0.0018716600000000, 0.0000871600000000 ] - [ 0.0002270300000000, 0.0013119200000000, 0.0000783400000000 ] - [ -0.0004892800000000, -0.0001532900000000, -0.0001324700000000 ] - [ -0.0004996600000000, 0.0000544100000000, -0.0001296500000000 ] - [ 0.0000898200000000, -0.0002064000000000, -0.0023467000000000 ] - [ 0.0000882600000000, 0.0002118500000000, -0.0023508000000000 ] - [ -0.0003114100000000, -0.0000004800000000, -0.0011857300000000 ] - [ -0.0002938700000000, 0.0000003400000000, -0.0012451700000000 ] - [ -0.0050339100000000, -0.0000808100000000, -0.0007122100000000 ] - [ -0.0050299200000000, -0.0000700400000000, -0.0007390600000000 ] - [ -0.0002406100000000, -0.0000048700000000, 0.0000850400000000 ] - [ -0.0001613200000000, -0.0000043200000000, 0.0002747600000000 ]- atom: 49 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0287856000000000, 0.0000000000000000, 0.0201057800000000 ] - [ -0.0026962800000000, 0.0000000000000000, 0.0007092800000000 ] - [ -0.0020716900000000, 0.0000000000000000, -0.0150245000000000 ] - [ -0.0031223700000000, 0.0000000000000000, -0.0049917600000000 ] - [ -0.0067321000000000, 0.0010598700000000, 0.0061199200000000 ] - [ -0.0067321000000000, -0.0010598700000000, 0.0061199200000000 ] - [ 0.0043518900000000, -0.0007292200000000, -0.0014783300000000 ] - [ 0.0043518900000000, 0.0007292200000000, -0.0014783300000000 ] - [ -0.0030370200000000, 0.0000005000000000, 0.0009184900000000 ] - [ -0.0030370200000000, -0.0000005000000000, 0.0009184900000000 ] - [ 0.0009515900000000, 0.0000000000000000, -0.0005519100000000 ] - [ 0.0001243000000000, 0.0000000000000000, -0.0003622500000000 ] - [ -0.0129517500000000, 0.0000000000000000, 0.0275425200000000 ] - [ -0.0051222000000000, 0.0000000000000000, -0.0030932700000000 ] - [ -0.0023378100000000, 0.0000000000000000, -0.0180948300000000 ] - [ -0.0022487600000000, 0.0000000000000000, -0.0075913900000000 ] - [ 0.0017794200000000, 0.0006007900000000, -0.0009462100000000 ] - [ 0.0017794200000000, -0.0006007900000000, -0.0009462100000000 ] - [ -0.0236095600000000, 0.0000000000000000, -0.0019353900000000 ] - [ -0.0041871900000000, 0.0000000000000000, 0.0028966800000000 ] - [ 0.0027773300000000, 0.0002259600000000, -0.0016223000000000 ] - [ 0.0027773300000000, -0.0002259600000000, -0.0016223000000000 ] - [ 0.0095717200000000, 0.0000000000000000, 0.0012482100000000 ] - [ 0.0013474700000000, 0.0000000000000000, 0.0006694400000000 ] - [ 0.0016976200000000, 0.0000443400000000, -0.0015424800000000 ] - [ 0.0016976200000000, -0.0000443400000000, -0.0015424800000000 ] - [ -0.0028353900000000, 0.0000678600000000, 0.0008721500000000 ] - [ -0.0028353900000000, -0.0000678600000000, 0.0008721500000000 ] - [ 0.0125208600000000, 0.0000000000000000, -0.0051545800000000 ] - [ 0.0037140100000000, 0.0000000000000000, -0.0037737200000000 ] - [ -0.0024033900000000, 0.0000250000000000, 0.0028513900000000 ] - [ -0.0024033900000000, -0.0000250000000000, 0.0028513900000000 ] - [ -0.0001097600000000, 0.0000000000000000, 0.0022599900000000 ] - [ 0.0018147300000000, 0.0000000000000000, 0.0003704600000000 ] - [ -0.0000138600000000, -0.0004155800000000, 0.0044512800000000 ] - [ -0.0000138600000000, 0.0004155800000000, 0.0044512800000000 ] - [ -0.0102635200000000, 0.0000000000000000, 0.0201064600000000 ] - [ 0.0000424000000000, 0.0000000000000000, 0.0034899200000000 ] - [ 0.0050142700000000, 0.0000000000000000, 0.0011358600000000 ] - [ 0.0050742900000000, 0.0000000000000000, 0.0011951200000000 ] - [ 0.0083784000000000, 0.0000000000000000, -0.0080513000000000 ] - [ 0.0012856800000000, 0.0000000000000000, -0.0013580000000000 ] - [ -0.0043874400000000, 0.0167345700000000, -0.0054961000000000 ] - [ -0.0043874400000000, -0.0167345700000000, -0.0054961000000000 ] - [ 0.0014759700000000, -0.0000003100000000, -0.0000934500000000 ] - [ 0.0014759700000000, 0.0000003100000000, -0.0000934500000000 ] - [ 0.0012224700000000, 0.0000454400000000, -0.0011755500000000 ] - [ 0.0012224700000000, -0.0000454400000000, -0.0011755500000000 ] - [ 0.1058086900000000, 0.0000000000000000, -0.0837310600000000 ] - [ 0.0068559800000000, 0.0000000000000000, -0.0031106800000000 ] - [ -0.0003628000000000, -0.0000504600000000, -0.0017327100000000 ] - [ -0.0003628000000000, 0.0000504600000000, -0.0017327100000000 ] - [ 0.0031574900000000, 0.0000000000000000, -0.0003686600000000 ] - [ 0.0031566200000000, 0.0000000000000000, -0.0003677100000000 ] - [ 0.0074532800000000, 0.0000000000000000, -0.0030665000000000 ] - [ 0.0022598700000000, 0.0000000000000000, -0.0025763300000000 ] - [ -0.0050324900000000, -0.0052717900000000, -0.0012488900000000 ] - [ -0.0050324900000000, 0.0052717900000000, -0.0012488900000000 ] - [ 0.0093877100000000, -0.0133369800000000, 0.0034492600000000 ] - [ 0.0093877100000000, 0.0133369800000000, 0.0034492600000000 ] - [ 0.0006620700000000, 0.0000000000000000, 0.0016716400000000 ] - [ 0.0012120700000000, 0.0000000000000000, 0.0022032400000000 ] - [ 0.0013201900000000, -0.0001224400000000, -0.0003279600000000 ] - [ 0.0013201900000000, 0.0001224400000000, -0.0003279600000000 ] - [ -0.0217682700000000, 0.0000000000000000, 0.0139731900000000 ] - [ 0.0004133800000000, 0.0000000000000000, 0.0003939300000000 ] - [ -0.0017315300000000, -0.0000370000000000, 0.0000303600000000 ] - [ -0.0017315300000000, 0.0000370000000000, 0.0000303600000000 ] - [ -0.0005134900000000, -0.0000059900000000, -0.0001091600000000 ] - [ -0.0005134900000000, 0.0000059900000000, -0.0001091600000000 ] - [ -0.0010119800000000, -0.0013499900000000, -0.0025096900000000 ] - [ -0.0010119800000000, 0.0013499900000000, -0.0025096900000000 ] - [ 0.0001230100000000, 0.0000000000000000, 0.0326435400000000 ] - [ -0.0005869400000000, 0.0000000000000000, 0.0040108800000000 ] - [ -0.0044819600000000, 0.0000000000000000, -0.0000286200000000 ] - [ -0.0047606500000000, 0.0000000000000000, -0.0003620400000000 ] - [ -0.0012078900000000, 0.0000000000000000, 0.0043857800000000 ] - [ -0.0003821800000000, 0.0000000000000000, 0.0027505800000000 ] - [ -0.0003220200000000, -0.0000005900000000, -0.0001224900000000 ] - [ -0.0003220200000000, 0.0000005900000000, -0.0001224900000000 ] - [ 0.0055542500000000, -0.0011247200000000, 0.0028997000000000 ] - [ 0.0055542500000000, 0.0011247200000000, 0.0028997000000000 ] - [ 0.0005060500000000, 0.0000471100000000, 0.0022359100000000 ] - [ 0.0005060500000000, -0.0000471100000000, 0.0022359100000000 ] - [ 0.0001742800000000, 0.0000000000000000, 0.0007593900000000 ] - [ 0.0002153700000000, 0.0000000000000000, 0.0008326300000000 ] - [ -0.0027528800000000, 0.0000000000000000, 0.0030342100000000 ] - [ 0.0002357400000000, 0.0000000000000000, 0.0011813900000000 ] - [ -0.0037873400000000, 0.0000000000000000, -0.0004267100000000 ] - [ -0.0015914300000000, 0.0000000000000000, 0.0000482300000000 ] - [ -0.0023333000000000, 0.0000527100000000, -0.0002885700000000 ] - [ -0.0023333000000000, -0.0000527100000000, -0.0002885700000000 ] - [ -0.0003088300000000, 0.0000000000000000, 0.0090953200000000 ] - [ -0.0002989200000000, 0.0000000000000000, 0.0037375400000000 ] - [ 0.0030224700000000, 0.0010860000000000, 0.0019200200000000 ] - [ 0.0030224700000000, -0.0010860000000000, 0.0019200200000000 ] - [ -0.0010048500000000, -0.0001029900000000, 0.0000379000000000 ] - [ -0.0010048500000000, 0.0001029900000000, 0.0000379000000000 ] - [ -0.0063493600000000, 0.0000000000000000, 0.0003125600000000 ] - [ -0.0043005500000000, 0.0000000000000000, 0.0005744300000000 ] - [ 0.0033757300000000, 0.0000000000000000, -0.0014980700000000 ] - [ 0.0034961800000000, 0.0000000000000000, -0.0014786200000000 ] - [ 0.0002016000000000, 0.0011794500000000, 0.0015947100000000 ] - [ 0.0002016000000000, -0.0011794500000000, 0.0015947100000000 ] - [ 0.0001702900000000, 0.0000000000000000, 0.0012617600000000 ] - [ 0.0001493800000000, 0.0000000000000000, 0.0010441200000000 ] - [ 0.0001865700000000, 0.0000652200000000, -0.0001782100000000 ] - [ 0.0001865700000000, -0.0000652200000000, -0.0001782100000000 ] - [ -0.0304760400000000, 0.0000000000000000, -0.0032960100000000 ] - [ -0.0054122000000000, 0.0000000000000000, 0.0003740500000000 ] - [ 0.0041125900000000, 0.0000000000000000, 0.0014396000000000 ] - [ 0.0014344100000000, 0.0000000000000000, 0.0002024600000000 ] - [ -0.0004085500000000, 0.0000000000000000, -0.0035674900000000 ] - [ -0.0001422700000000, 0.0000000000000000, -0.0030031100000000 ] - [ -0.0003995900000000, -0.0000123100000000, -0.0020902200000000 ] - [ -0.0003995900000000, 0.0000123100000000, -0.0020902200000000 ] - [ -0.0048631200000000, -0.0000752500000000, -0.0009292900000000 ] - [ -0.0048631200000000, 0.0000752500000000, -0.0009292900000000 ] - [ -0.0003908900000000, 0.0000084600000000, -0.0008873400000000 ] - [ -0.0003908900000000, -0.0000084600000000, -0.0008873400000000 ]- atom: 49 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0336616200000000, 0.0000000000000000, -0.0223435100000000 ] - [ 0.0070205100000000, 0.0000000000000000, -0.0030989100000000 ] - [ -0.0050611200000000, 0.0000000000000000, 0.0147343300000000 ] - [ -0.0039652500000000, 0.0000000000000000, 0.0048485300000000 ] - [ 0.0040565000000000, -0.0010387900000000, -0.0061766200000000 ] - [ 0.0040565000000000, 0.0010387900000000, -0.0061766200000000 ] - [ 0.0000729900000000, 0.0007201700000000, -0.0008631600000000 ] - [ 0.0000729900000000, -0.0007201700000000, -0.0008631600000000 ] - [ -0.0039513300000000, 0.0000023400000000, -0.0010037700000000 ] - [ -0.0039513300000000, -0.0000023400000000, -0.0010037700000000 ] - [ -0.0036479500000000, 0.0000000000000000, 0.0005090700000000 ] - [ -0.0028192100000000, 0.0000000000000000, 0.0002966900000000 ] - [ 0.0098496100000000, 0.0000000000000000, -0.0310157600000000 ] - [ 0.0039861900000000, 0.0000000000000000, -0.0005940300000000 ] - [ -0.0042006100000000, 0.0000000000000000, 0.0165884600000000 ] - [ -0.0043337500000000, 0.0000000000000000, 0.0059972300000000 ] - [ -0.0040296600000000, -0.0005582300000000, -0.0034854600000000 ] - [ -0.0040296600000000, 0.0005582300000000, -0.0034854600000000 ] - [ 0.0158371900000000, 0.0000000000000000, 0.0034815400000000 ] - [ -0.0037097800000000, 0.0000000000000000, 0.0007628200000000 ] - [ 0.0044719000000000, -0.0002316900000000, 0.0010658200000000 ] - [ 0.0044719000000000, 0.0002316900000000, 0.0010658200000000 ] - [ -0.0114961400000000, 0.0000000000000000, 0.0040614900000000 ] - [ -0.0031626300000000, 0.0000000000000000, 0.0046779200000000 ] - [ -0.0026785900000000, -0.0000460500000000, -0.0021164800000000 ] - [ -0.0026785900000000, 0.0000460500000000, -0.0021164800000000 ] - [ -0.0037050200000000, -0.0000619900000000, -0.0024144600000000 ] - [ -0.0037050200000000, 0.0000619900000000, -0.0024144600000000 ] - [ -0.0147957000000000, 0.0000000000000000, 0.0007759700000000 ] - [ -0.0060722000000000, 0.0000000000000000, -0.0006188100000000 ] - [ -0.0053897100000000, -0.0000288800000000, 0.0009110900000000 ] - [ -0.0053897100000000, 0.0000288800000000, 0.0009110900000000 ] - [ 0.0072596600000000, 0.0000000000000000, -0.0026027800000000 ] - [ 0.0053469400000000, 0.0000000000000000, -0.0008775300000000 ] - [ -0.0017345500000000, 0.0004115000000000, 0.0009713500000000 ] - [ -0.0017345500000000, -0.0004115000000000, 0.0009713500000000 ] - [ 0.0098270100000000, 0.0000000000000000, -0.0188979500000000 ] - [ -0.0002717400000000, 0.0000000000000000, -0.0027090200000000 ] - [ 0.0049348700000000, 0.0000000000000000, 0.0017558100000000 ] - [ 0.0048825500000000, 0.0000000000000000, 0.0017020200000000 ] - [ -0.0071587600000000, 0.0000000000000000, 0.0094953700000000 ] - [ -0.0000254600000000, 0.0000000000000000, 0.0030061200000000 ] - [ 0.0056694900000000, -0.0166046600000000, 0.0072643200000000 ] - [ 0.0056694900000000, 0.0166046600000000, 0.0072643200000000 ] - [ 0.0026229900000000, -0.0000006800000000, 0.0003458500000000 ] - [ 0.0026229900000000, 0.0000006800000000, 0.0003458500000000 ] - [ -0.0009856400000000, -0.0000451500000000, 0.0011407200000000 ] - [ -0.0009856400000000, 0.0000451500000000, 0.0011407200000000 ] - [ -0.1054261700000000, 0.0000000000000000, 0.0860190600000000 ] - [ -0.0081189600000000, 0.0000000000000000, 0.0032509300000000 ] - [ 0.0002106500000000, 0.0000470300000000, 0.0015599100000000 ] - [ 0.0002106500000000, -0.0000470300000000, 0.0015599100000000 ] - [ 0.0033338700000000, 0.0000000000000000, 0.0000622400000000 ] - [ 0.0033344100000000, 0.0000000000000000, 0.0000614400000000 ] - [ -0.0081606400000000, 0.0000000000000000, 0.0033854300000000 ] - [ -0.0029938700000000, 0.0000000000000000, 0.0028466800000000 ] - [ -0.0012077800000000, 0.0050699200000000, 0.0024051300000000 ] - [ -0.0012077800000000, -0.0050699200000000, 0.0024051300000000 ] - [ -0.0015317900000000, 0.0135111200000000, -0.0062577100000000 ] - [ -0.0015317900000000, -0.0135111200000000, -0.0062577100000000 ] - [ 0.0022372100000000, 0.0000000000000000, 0.0029191800000000 ] - [ 0.0018208500000000, 0.0000000000000000, 0.0023420600000000 ] - [ -0.0009064900000000, 0.0001215400000000, 0.0014319000000000 ] - [ -0.0009064900000000, -0.0001215400000000, 0.0014319000000000 ] - [ 0.0253584800000000, 0.0000000000000000, -0.0134986900000000 ] - [ 0.0026090100000000, 0.0000000000000000, 0.0002932600000000 ] - [ 0.0021517000000000, 0.0000342300000000, 0.0001364600000000 ] - [ 0.0021517000000000, -0.0000342300000000, 0.0001364600000000 ] - [ -0.0005059000000000, 0.0000055100000000, -0.0001542800000000 ] - [ -0.0005059000000000, -0.0000055100000000, -0.0001542800000000 ] - [ 0.0011946700000000, 0.0013610500000000, -0.0021489400000000 ] - [ 0.0011946700000000, -0.0013610500000000, -0.0021489400000000 ] - [ -0.0006703500000000, 0.0000000000000000, -0.0355344300000000 ] - [ -0.0000078300000000, 0.0000000000000000, -0.0064326200000000 ] - [ -0.0055959100000000, 0.0000000000000000, -0.0014235100000000 ] - [ -0.0053074200000000, 0.0000000000000000, -0.0010894000000000 ] - [ 0.0008201400000000, 0.0000000000000000, -0.0039720300000000 ] - [ -0.0000181300000000, 0.0000000000000000, -0.0023559700000000 ] - [ 0.0000722000000000, -0.0000000500000000, 0.0008623700000000 ] - [ 0.0000722000000000, 0.0000000500000000, 0.0008623700000000 ] - [ 0.0043895200000000, 0.0011511800000000, 0.0000022800000000 ] - [ 0.0043895200000000, -0.0011511800000000, 0.0000022800000000 ] - [ 0.0007417600000000, -0.0000455300000000, -0.0005562700000000 ] - [ 0.0007417600000000, 0.0000455300000000, -0.0005562700000000 ] - [ 0.0010558200000000, 0.0000000000000000, 0.0010752100000000 ] - [ 0.0010143400000000, 0.0000000000000000, 0.0009949000000000 ] - [ 0.0068906000000000, 0.0000000000000000, -0.0027632500000000 ] - [ 0.0039207300000000, 0.0000000000000000, -0.0009216200000000 ] - [ 0.0040830500000000, 0.0000000000000000, 0.0004139200000000 ] - [ 0.0018872300000000, 0.0000000000000000, -0.0000734800000000 ] - [ 0.0009435400000000, -0.0000516900000000, 0.0003809900000000 ] - [ 0.0009435400000000, 0.0000516900000000, 0.0003809900000000 ] - [ 0.0001582300000000, 0.0000000000000000, -0.0092557700000000 ] - [ 0.0001587600000000, 0.0000000000000000, -0.0038830300000000 ] - [ 0.0034918000000000, -0.0010216600000000, -0.0022052500000000 ] - [ 0.0034918000000000, 0.0010216600000000, -0.0022052500000000 ] - [ 0.0002559300000000, 0.0001190100000000, 0.0002315900000000 ] - [ 0.0002559300000000, -0.0001190100000000, 0.0002315900000000 ] - [ 0.0001972800000000, 0.0000000000000000, 0.0008171800000000 ] - [ -0.0018272500000000, 0.0000000000000000, 0.0005583100000000 ] - [ 0.0045245200000000, 0.0000000000000000, -0.0012935400000000 ] - [ 0.0043948300000000, 0.0000000000000000, -0.0013131300000000 ] - [ 0.0028300100000000, -0.0011617100000000, 0.0029143500000000 ] - [ 0.0028300100000000, 0.0011617100000000, 0.0029143500000000 ] - [ 0.0002491000000000, 0.0000000000000000, -0.0002264000000000 ] - [ 0.0002695500000000, 0.0000000000000000, 0.0000709800000000 ] - [ 0.0027577300000000, -0.0000645600000000, 0.0008165600000000 ] - [ 0.0027577300000000, 0.0000645600000000, 0.0008165600000000 ] - [ 0.0306758400000000, 0.0000000000000000, 0.0034547500000000 ] - [ 0.0059107300000000, 0.0000000000000000, -0.0002145700000000 ] - [ -0.0049472900000000, 0.0000000000000000, -0.0016978500000000 ] - [ -0.0023631500000000, 0.0000000000000000, -0.0004658200000000 ] - [ 0.0005757000000000, 0.0000000000000000, -0.0011445300000000 ] - [ 0.0003116800000000, 0.0000000000000000, -0.0017011400000000 ] - [ -0.0002037200000000, 0.0000119200000000, -0.0003719200000000 ] - [ -0.0002037200000000, -0.0000119200000000, -0.0003719200000000 ] - [ -0.0051997800000000, 0.0000555100000000, -0.0005392200000000 ] - [ -0.0051997800000000, -0.0000555100000000, -0.0005392200000000 ] - [ -0.0000238300000000, -0.0000088300000000, 0.0012329400000000 ] - [ -0.0000238300000000, 0.0000088300000000, 0.0012329400000000 ]- atom: 51 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0011009300000000, -0.0039648400000000, -0.0027182800000000 ] - [ 0.0011009300000000, 0.0039648400000000, -0.0027182800000000 ] - [ -0.0046109800000000, -0.0000024700000000, 0.0002060500000000 ] - [ -0.0046109800000000, 0.0000024700000000, 0.0002060500000000 ] - [ -0.0022428600000000, 0.0000000000000000, -0.0006076400000000 ] - [ -0.0020833700000000, 0.0000000000000000, -0.0005770600000000 ] - [ 0.0012398200000000, 0.0000000000000000, -0.0016370400000000 ] - [ 0.0017727900000000, 0.0000000000000000, -0.0013665600000000 ] - [ -0.0077955300000000, 0.0000000000000000, -0.0008972100000000 ] - [ -0.0037219400000000, 0.0000000000000000, -0.0004288500000000 ] - [ -0.0010692700000000, 0.0004015800000000, 0.0020170800000000 ] - [ -0.0010692700000000, -0.0004015800000000, 0.0020170800000000 ] - [ -0.0021007500000000, -0.0000064300000000, -0.0021281300000000 ] - [ -0.0021007500000000, 0.0000064300000000, -0.0021281300000000 ] - [ -0.0040078200000000, 0.0000254300000000, -0.0013693500000000 ] - [ -0.0040078200000000, -0.0000254300000000, -0.0013693500000000 ] - [ 0.0181914700000000, 0.0000000000000000, -0.0144205100000000 ] - [ 0.0023401200000000, 0.0000000000000000, -0.0011534100000000 ] - [ -0.0045966900000000, -0.0000994400000000, 0.0006873100000000 ] - [ -0.0045966900000000, 0.0000994400000000, 0.0006873100000000 ] - [ 0.0024485000000000, 0.0000000000000000, -0.0009164400000000 ] - [ 0.0027059000000000, 0.0000000000000000, -0.0007720600000000 ] - [ 0.0001307200000000, 0.0014755800000000, 0.0026933900000000 ] - [ 0.0001307200000000, -0.0014755800000000, 0.0026933900000000 ] - [ -0.0049681300000000, 0.0000000000000000, -0.0009327800000000 ] - [ -0.0001510800000000, 0.0000000000000000, -0.0012107300000000 ] - [ 0.0100202300000000, 0.0000000000000000, 0.0093138000000000 ] - [ -0.0010056600000000, 0.0000000000000000, -0.0004211400000000 ] - [ -0.0021012600000000, 0.0000759800000000, -0.0025900300000000 ] - [ -0.0021012600000000, -0.0000759800000000, -0.0025900300000000 ] - [ -0.0035759500000000, 0.0000000000000000, 0.0002073900000000 ] - [ -0.0038128600000000, 0.0000000000000000, 0.0024307900000000 ] - [ 0.0034476900000000, -0.0033139000000000, 0.0032173600000000 ] - [ 0.0034476900000000, 0.0033139000000000, 0.0032173600000000 ] - [ -0.0019255700000000, 0.0000000000000000, 0.0016444400000000 ] - [ -0.0014856700000000, 0.0000000000000000, 0.0022141300000000 ] - [ 0.0000902400000000, 0.0000033100000000, 0.0005091700000000 ] - [ 0.0000902400000000, -0.0000033100000000, 0.0005091700000000 ] - [ 0.0021264300000000, 0.0003395100000000, -0.0000991600000000 ] - [ 0.0021264300000000, -0.0003395100000000, -0.0000991600000000 ] - [ 0.0017863200000000, 0.0011534000000000, -0.0000042800000000 ] - [ 0.0017863200000000, -0.0011534000000000, -0.0000042800000000 ] - [ 0.0009301000000000, 0.0000000000000000, 0.0011460600000000 ] - [ 0.0009129500000000, 0.0000000000000000, 0.0011241700000000 ] - [ 0.0089716800000000, 0.0000000000000000, 0.0120876800000000 ] - [ 0.0009590400000000, 0.0000000000000000, 0.0002810700000000 ] - [ 0.0011222300000000, 0.0000000000000000, 0.0001054700000000 ] - [ 0.0008714900000000, 0.0000000000000000, 0.0000606200000000 ] - [ 0.0008375400000000, 0.0001377700000000, 0.0006009200000000 ] - [ 0.0008375400000000, -0.0001377700000000, 0.0006009200000000 ] - [ -0.0445011800000000, 0.0000000000000000, -0.0009561800000000 ] - [ -0.0006881300000000, 0.0000000000000000, -0.0004100600000000 ] - [ 0.0035691300000000, -0.0007410000000000, 0.0000461900000000 ] - [ 0.0035691300000000, 0.0007410000000000, 0.0000461900000000 ] - [ -0.0000148100000000, -0.0000163100000000, 0.0003733000000000 ] - [ -0.0000148100000000, 0.0000163100000000, 0.0003733000000000 ] - [ 0.0038125700000000, 0.0000000000000000, 0.0093668100000000 ] - [ -0.0042587000000000, 0.0000000000000000, 0.0008583400000000 ] - [ 0.0042895100000000, 0.0000000000000000, -0.0011760100000000 ] - [ 0.0042413600000000, 0.0000000000000000, -0.0012251000000000 ] - [ -0.0005009100000000, 0.0001799100000000, 0.0039327700000000 ] - [ -0.0005009100000000, -0.0001799100000000, 0.0039327700000000 ] - [ 0.0003731400000000, 0.0000000000000000, 0.0011331100000000 ] - [ 0.0003385200000000, 0.0000000000000000, 0.0011037000000000 ] - [ 0.0013370000000000, 0.0002691900000000, 0.0011243000000000 ] - [ 0.0013370000000000, -0.0002691900000000, 0.0011243000000000 ] - [ 0.0050070500000000, 0.0000000000000000, -0.0136948700000000 ] - [ -0.0015061700000000, 0.0000000000000000, -0.0000675400000000 ] - [ 0.0007279900000000, 0.0000000000000000, -0.0000414200000000 ] - [ 0.0003113500000000, 0.0000000000000000, -0.0000674400000000 ] - [ 0.0001723400000000, 0.0000000000000000, -0.0055296900000000 ] - [ -0.0001658000000000, 0.0000000000000000, -0.0019242900000000 ] - [ -0.0002220800000000, -0.0000072600000000, -0.0005406200000000 ] - [ -0.0002220800000000, 0.0000072600000000, -0.0005406200000000 ] - [ -0.0047053300000000, -0.0000572500000000, -0.0006271300000000 ] - [ -0.0047053300000000, 0.0000572500000000, -0.0006271300000000 ] - [ -0.0002093000000000, -0.0001358000000000, -0.0002287900000000 ] - [ -0.0002093000000000, 0.0001358000000000, -0.0002287900000000 ] - [ 0.0006070300000000, 0.0000000000000000, -0.0000047800000000 ] - [ -0.0000977900000000, 0.0000000000000000, 0.0001251400000000 ] - [ 0.0053084600000000, 0.0000000000000000, 0.0015610900000000 ] - [ 0.0052559900000000, 0.0000000000000000, 0.0015550800000000 ] - [ 0.0008102200000000, 0.0000000000000000, 0.0011967900000000 ] - [ 0.0007190700000000, 0.0000000000000000, 0.0010477400000000 ] - [ 0.0006991600000000, -0.0009659100000000, 0.0003739900000000 ] - [ 0.0006991600000000, 0.0009659100000000, 0.0003739900000000 ] - [ 0.0026325700000000, -0.0000011500000000, 0.0001403600000000 ] - [ 0.0026325700000000, 0.0000011500000000, 0.0001403600000000 ] - [ -0.0002262700000000, -0.0002337400000000, -0.0003023500000000 ] - [ -0.0002262700000000, 0.0002337400000000, -0.0003023500000000 ] - [ 0.0003890800000000, 0.0000000000000000, 0.0003978800000000 ] - [ -0.0003226100000000, 0.0000000000000000, -0.0000042700000000 ] - [ 0.0000531200000000, -0.0000083800000000, 0.0002714600000000 ] - [ 0.0000531200000000, 0.0000083800000000, 0.0002714600000000 ] - [ 0.0034934500000000, 0.0000000000000000, -0.0002376300000000 ] - [ 0.0034779100000000, 0.0000000000000000, -0.0002197100000000 ] - [ -0.0004206900000000, 0.0000000000000000, -0.0006396700000000 ] - [ -0.0006145500000000, 0.0000000000000000, -0.0002505300000000 ] - [ -0.0027086700000000, -0.0001411000000000, 0.0006287800000000 ] - [ -0.0027086700000000, 0.0001411000000000, 0.0006287800000000 ] - [ 0.0036539200000000, -0.0006682400000000, -0.0014655300000000 ] - [ 0.0036539200000000, 0.0006682400000000, -0.0014655300000000 ] - [ 0.0018039400000000, 0.0000000000000000, 0.0024544400000000 ] - [ 0.0017168100000000, 0.0000000000000000, 0.0023821300000000 ] - [ 0.0000275500000000, 0.0002755300000000, -0.0019011400000000 ] - [ 0.0000275500000000, -0.0002755300000000, -0.0019011400000000 ] - [ 0.0020591400000000, 0.0000000000000000, 0.0005973700000000 ] - [ 0.0015713700000000, 0.0000000000000000, 0.0003293400000000 ] - [ 0.0011970000000000, -0.0000073000000000, 0.0001405900000000 ] - [ 0.0011970000000000, 0.0000073000000000, 0.0001405900000000 ] - [ 0.0004637800000000, 0.0000698100000000, -0.0003367300000000 ] - [ 0.0004637800000000, -0.0000698100000000, -0.0003367300000000 ] - [ 0.0002364100000000, -0.0001677500000000, -0.0021333100000000 ] - [ 0.0002364100000000, 0.0001677500000000, -0.0021333100000000 ] - [ 0.0003825400000000, 0.0000000000000000, 0.0044399900000000 ] - [ -0.0004714200000000, 0.0000000000000000, -0.0019507300000000 ] - [ -0.0001582700000000, 0.0000000000000000, -0.0072926500000000 ] - [ -0.0061955300000000, 0.0000000000000000, -0.0012634000000000 ] - [ 0.0003210700000000, 0.0000000000000000, 0.0014283400000000 ] - [ -0.0001374800000000, 0.0000000000000000, 0.0006680700000000 ]- atom: 51 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0032687000000000, 0.0039840000000000, 0.0003675800000000 ] - [ 0.0032687000000000, -0.0039840000000000, 0.0003675800000000 ] - [ -0.0024072700000000, -0.0000029900000000, -0.0003313700000000 ] - [ -0.0024072700000000, 0.0000029900000000, -0.0003313700000000 ] - [ -0.0004456000000000, 0.0000000000000000, 0.0005433600000000 ] - [ -0.0006036500000000, 0.0000000000000000, 0.0005045700000000 ] - [ 0.0031506200000000, 0.0000000000000000, -0.0007093300000000 ] - [ 0.0026149600000000, 0.0000000000000000, -0.0009932400000000 ] - [ 0.0007060100000000, 0.0000000000000000, 0.0007847400000000 ] - [ -0.0033081400000000, 0.0000000000000000, 0.0003152400000000 ] - [ -0.0016083300000000, -0.0004010500000000, -0.0020981700000000 ] - [ -0.0016083300000000, 0.0004010500000000, -0.0020981700000000 ] - [ 0.0010551700000000, 0.0000068200000000, -0.0015310300000000 ] - [ 0.0010551700000000, -0.0000068200000000, -0.0015310300000000 ] - [ -0.0025604600000000, -0.0000283800000000, -0.0002275500000000 ] - [ -0.0025604600000000, 0.0000283800000000, -0.0002275500000000 ] - [ -0.0207459100000000, 0.0000000000000000, 0.0116759900000000 ] - [ -0.0046930200000000, 0.0000000000000000, -0.0032290100000000 ] - [ -0.0032325000000000, 0.0001014900000000, 0.0030415500000000 ] - [ -0.0032325000000000, -0.0001014900000000, 0.0030415500000000 ] - [ 0.0047461400000000, 0.0000000000000000, 0.0003529500000000 ] - [ 0.0044990600000000, 0.0000000000000000, 0.0002036900000000 ] - [ -0.0019141500000000, -0.0015255600000000, 0.0026718600000000 ] - [ -0.0019141500000000, 0.0015255600000000, 0.0026718600000000 ] - [ 0.0038894300000000, 0.0000000000000000, -0.0027622800000000 ] - [ -0.0008906000000000, 0.0000000000000000, -0.0024352100000000 ] - [ -0.0167699000000000, 0.0000000000000000, -0.0115163500000000 ] - [ -0.0055475600000000, 0.0000000000000000, -0.0011752300000000 ] - [ -0.0002604400000000, -0.0000768600000000, -0.0018075600000000 ] - [ -0.0002604400000000, 0.0000768600000000, -0.0018075600000000 ] - [ -0.0042436600000000, 0.0000000000000000, 0.0035656700000000 ] - [ -0.0039992700000000, 0.0000000000000000, 0.0012979200000000 ] - [ 0.0037499500000000, 0.0033471900000000, -0.0038031200000000 ] - [ 0.0037499500000000, -0.0033471900000000, -0.0038031200000000 ] - [ 0.0001509200000000, 0.0000000000000000, 0.0037382200000000 ] - [ -0.0002962500000000, 0.0000000000000000, 0.0031742100000000 ] - [ -0.0003305600000000, -0.0000030900000000, 0.0002510300000000 ] - [ -0.0003305600000000, 0.0000030900000000, 0.0002510300000000 ] - [ 0.0078384100000000, -0.0003024900000000, 0.0029834700000000 ] - [ 0.0078384100000000, 0.0003024900000000, 0.0029834700000000 ] - [ -0.0005584700000000, -0.0011691600000000, 0.0016699500000000 ] - [ -0.0005584700000000, 0.0011691600000000, 0.0016699500000000 ] - [ 0.0003099900000000, 0.0000000000000000, 0.0006738300000000 ] - [ 0.0003260600000000, 0.0000000000000000, 0.0006944000000000 ] - [ -0.0046531000000000, 0.0000000000000000, -0.0115864700000000 ] - [ 0.0031691900000000, 0.0000000000000000, -0.0000199400000000 ] - [ -0.0008642000000000, 0.0000000000000000, -0.0001370100000000 ] - [ -0.0006018200000000, 0.0000000000000000, -0.0000920800000000 ] - [ -0.0021836400000000, -0.0001378600000000, -0.0004958700000000 ] - [ -0.0021836400000000, 0.0001378600000000, -0.0004958700000000 ] - [ 0.0446891600000000, 0.0000000000000000, -0.0001831600000000 ] - [ 0.0005526800000000, 0.0000000000000000, 0.0002568000000000 ] - [ 0.0029336200000000, 0.0007477300000000, -0.0003450300000000 ] - [ 0.0029336200000000, -0.0007477300000000, -0.0003450300000000 ] - [ -0.0007235400000000, 0.0000153300000000, -0.0001061400000000 ] - [ -0.0007235400000000, -0.0000153300000000, -0.0001061400000000 ] - [ -0.0100133200000000, 0.0000000000000000, -0.0083648200000000 ] - [ -0.0018494400000000, 0.0000000000000000, 0.0002786500000000 ] - [ 0.0036085000000000, 0.0000000000000000, -0.0016152500000000 ] - [ 0.0036560200000000, 0.0000000000000000, -0.0015660000000000 ] - [ 0.0035634700000000, -0.0001284600000000, 0.0005968000000000 ] - [ 0.0035634700000000, 0.0001284600000000, 0.0005968000000000 ] - [ 0.0000441300000000, 0.0000000000000000, -0.0000265200000000 ] - [ 0.0000759300000000, 0.0000000000000000, 0.0000254000000000 ] - [ 0.0016484600000000, -0.0002682500000000, -0.0004720400000000 ] - [ 0.0016484600000000, 0.0002682500000000, -0.0004720400000000 ] - [ -0.0044363800000000, 0.0000000000000000, 0.0136630700000000 ] - [ 0.0019898300000000, 0.0000000000000000, 0.0002224400000000 ] - [ -0.0017004900000000, 0.0000000000000000, -0.0002259000000000 ] - [ -0.0012879300000000, 0.0000000000000000, -0.0001978700000000 ] - [ 0.0000232500000000, 0.0000000000000000, 0.0009622400000000 ] - [ 0.0003472200000000, 0.0000000000000000, -0.0027778700000000 ] - [ -0.0003795600000000, 0.0000074000000000, -0.0018841600000000 ] - [ -0.0003795600000000, -0.0000074000000000, -0.0018841600000000 ] - [ -0.0053611000000000, 0.0000558200000000, -0.0008273500000000 ] - [ -0.0053611000000000, -0.0000558200000000, -0.0008273500000000 ] - [ -0.0001860300000000, 0.0001390000000000, 0.0006151400000000 ] - [ -0.0001860300000000, -0.0001390000000000, 0.0006151400000000 ] - [ -0.0008723600000000, 0.0000000000000000, 0.0007712600000000 ] - [ -0.0001435000000000, 0.0000000000000000, 0.0006178000000000 ] - [ 0.0046416900000000, 0.0000000000000000, 0.0013446100000000 ] - [ 0.0046945900000000, 0.0000000000000000, 0.0013516500000000 ] - [ 0.0004343600000000, 0.0000000000000000, 0.0004688700000000 ] - [ 0.0005303600000000, 0.0000000000000000, 0.0006420800000000 ] - [ 0.0005392100000000, 0.0009617100000000, 0.0014390600000000 ] - [ 0.0005392100000000, -0.0009617100000000, 0.0014390600000000 ] - [ 0.0015108700000000, 0.0000006700000000, 0.0001200900000000 ] - [ 0.0015108700000000, -0.0000006700000000, 0.0001200900000000 ] - [ 0.0004819100000000, 0.0002360100000000, 0.0002723200000000 ] - [ 0.0004819100000000, -0.0002360100000000, 0.0002723200000000 ] - [ -0.0017329300000000, 0.0000000000000000, -0.0003014500000000 ] - [ -0.0010339500000000, 0.0000000000000000, 0.0001057400000000 ] - [ -0.0001891700000000, 0.0000082000000000, -0.0004184900000000 ] - [ -0.0001891700000000, -0.0000082000000000, -0.0004184900000000 ] - [ 0.0030055100000000, 0.0000000000000000, -0.0000593200000000 ] - [ 0.0030202900000000, 0.0000000000000000, -0.0000777400000000 ] - [ -0.0003188700000000, 0.0000000000000000, 0.0008997800000000 ] - [ -0.0001325800000000, 0.0000000000000000, 0.0005146100000000 ] - [ -0.0034092500000000, 0.0001454100000000, 0.0005092100000000 ] - [ -0.0034092500000000, -0.0001454100000000, 0.0005092100000000 ] - [ 0.0042386300000000, 0.0006772400000000, -0.0013271400000000 ] - [ 0.0042386300000000, -0.0006772400000000, -0.0013271400000000 ] - [ 0.0012352700000000, 0.0000000000000000, 0.0020658500000000 ] - [ 0.0013230300000000, 0.0000000000000000, 0.0021376100000000 ] - [ 0.0003879400000000, -0.0002787100000000, 0.0030566900000000 ] - [ 0.0003879400000000, 0.0002787100000000, 0.0030566900000000 ] - [ 0.0008986400000000, 0.0000000000000000, 0.0000511600000000 ] - [ 0.0013944600000000, 0.0000000000000000, 0.0003224900000000 ] - [ -0.0007035600000000, 0.0000070600000000, 0.0000169900000000 ] - [ -0.0007035600000000, -0.0000070600000000, 0.0000169900000000 ] - [ -0.0014590800000000, -0.0000711700000000, 0.0000724800000000 ] - [ -0.0014590800000000, 0.0000711700000000, 0.0000724800000000 ] - [ -0.0000575800000000, 0.0001659900000000, -0.0025622000000000 ] - [ -0.0000575800000000, -0.0001659900000000, -0.0025622000000000 ] - [ -0.0009658500000000, 0.0000000000000000, -0.0070156900000000 ] - [ -0.0001307800000000, 0.0000000000000000, -0.0004763200000000 ] - [ -0.0099958500000000, 0.0000000000000000, 0.0059567100000000 ] - [ -0.0038590000000000, 0.0000000000000000, -0.0001846700000000 ] - [ -0.0007140000000000, 0.0000000000000000, -0.0010509700000000 ] - [ -0.0002606700000000, 0.0000000000000000, -0.0002979200000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002151800000000, -0.0001912800000000, -0.0028596700000000 ] - [ 0.0041801200000000, -0.0001584800000000, 0.0005205800000000 ] - [ -0.0038838800000000, 0.0000024400000000, -0.0002243500000000 ] - [ -0.0031355700000000, 0.0000133300000000, 0.0001043700000000 ] - [ -0.0013422500000000, 0.0000879600000000, -0.0000318200000000 ] - [ -0.0013443600000000, -0.0000861500000000, -0.0000373900000000 ] - [ 0.0021984300000000, 0.0000250100000000, -0.0011748800000000 ] - [ 0.0021923900000000, -0.0000095000000000, -0.0011849300000000 ] - [ -0.0035106900000000, 0.0002622300000000, -0.0000532600000000 ] - [ -0.0035333800000000, -0.0002064100000000, -0.0000591700000000 ] - [ -0.0012574600000000, -0.0000002200000000, 0.0003827700000000 ] - [ -0.0014154700000000, 0.0000097800000000, -0.0004677300000000 ] - [ -0.0008155200000000, 0.0000011000000000, -0.0018921900000000 ] - [ -0.0002259500000000, 0.0000014400000000, -0.0017701100000000 ] - [ -0.0033633500000000, -0.0000011500000000, -0.0008578800000000 ] - [ -0.0032065300000000, 0.0000019700000000, -0.0007387500000000 ] - [ -0.0012272000000000, 0.0163353700000000, -0.0013322000000000 ] - [ -0.0011772700000000, -0.0080363800000000, -0.0021893800000000 ] - [ -0.0042204200000000, -0.0000015700000000, 0.0016345900000000 ] - [ -0.0036098800000000, -0.0000006700000000, 0.0020977600000000 ] - [ 0.0036017400000000, 0.0000241200000000, -0.0002817300000000 ] - [ 0.0036025500000000, -0.0000231600000000, -0.0002843800000000 ] - [ -0.0009766900000000, 0.0001624900000000, 0.0010406800000000 ] - [ -0.0007991900000000, 0.0002380300000000, 0.0043559200000000 ] - [ -0.0005022800000000, 0.0006557300000000, -0.0018309200000000 ] - [ -0.0005295200000000, -0.0001688600000000, -0.0018251300000000 ] - [ -0.0033363700000000, 0.0046280500000000, -0.0012160000000000 ] - [ -0.0033071700000000, -0.0127275100000000, -0.0008155500000000 ] - [ -0.0012255100000000, -0.0000011800000000, -0.0022152500000000 ] - [ -0.0011429300000000, 0.0000021500000000, -0.0021890800000000 ] - [ -0.0039145900000000, -0.0001179600000000, 0.0018964300000000 ] - [ -0.0039055100000000, -0.0001347100000000, 0.0018348300000000 ] - [ 0.0010138700000000, 0.0000155800000000, 0.0011568100000000 ] - [ 0.0062374800000000, 0.0000453800000000, -0.0017347900000000 ] - [ -0.0008847400000000, 0.0000184100000000, 0.0026974100000000 ] - [ -0.0008937200000000, -0.0000147000000000, 0.0026931600000000 ] - [ -0.0000643500000000, -0.0000002800000000, 0.0004305800000000 ] - [ -0.0001740000000000, -0.0000011600000000, 0.0003212800000000 ] - [ 0.0062168500000000, 0.0110245300000000, -0.0084560100000000 ] - [ 0.0036873600000000, 0.0112004700000000, 0.0115791800000000 ] - [ 0.0020628500000000, 0.0006464700000000, 0.0011201600000000 ] - [ -0.0008350600000000, 0.0006511800000000, 0.0005473000000000 ] - [ 0.0006220400000000, -0.0001353700000000, 0.0009106700000000 ] - [ 0.0006219500000000, 0.0001377400000000, 0.0009110900000000 ] - [ 0.0020383600000000, -0.0033216300000000, 0.0001240300000000 ] - [ 0.0020868300000000, 0.0003550000000000, 0.0001316500000000 ] - [ 0.0001274200000000, -0.0000102400000000, -0.0000169200000000 ] - [ 0.0001344200000000, 0.0000087200000000, -0.0000163100000000 ] - [ -0.0001539200000000, -0.0000122900000000, 0.0002953700000000 ] - [ -0.0011947600000000, -0.0000144500000000, -0.0001939400000000 ] - [ 0.0000852800000000, -0.0303622700000000, -0.0005921200000000 ] - [ -0.0000748800000000, 0.0016001700000000, -0.0000952300000000 ] - [ 0.0032040300000000, -0.0000222900000000, -0.0002513100000000 ] - [ 0.0032981900000000, -0.0000489500000000, -0.0000488600000000 ] - [ -0.0002729300000000, 0.0000008600000000, 0.0001638300000000 ] - [ -0.0004673300000000, -0.0000006500000000, 0.0001016700000000 ] - [ -0.0030263600000000, -0.0031862700000000, 0.0005846700000000 ] - [ -0.0030654300000000, 0.0013047800000000, 0.0005673500000000 ] - [ 0.0039488500000000, -0.0001831500000000, -0.0013943900000000 ] - [ 0.0039501400000000, 0.0001810800000000, -0.0013942200000000 ] - [ 0.0022845400000000, 0.0037766900000000, 0.0105118600000000 ] - [ 0.0007434800000000, 0.0037904900000000, -0.0060980800000000 ] - [ 0.0002075200000000, -0.0000095800000000, 0.0005567200000000 ] - [ 0.0002075000000000, 0.0000095800000000, 0.0005645600000000 ] - [ 0.0019677900000000, -0.0000476900000000, 0.0006637300000000 ] - [ 0.0010105900000000, -0.0000543000000000, -0.0000100100000000 ] - [ 0.0001926900000000, -0.0031604700000000, 0.0000836500000000 ] - [ 0.0002581700000000, 0.0006105800000000, 0.0000744900000000 ] - [ -0.0004877900000000, -0.0000101900000000, -0.0001330200000000 ] - [ -0.0004837900000000, 0.0000067200000000, -0.0001316800000000 ] - [ 0.0001031700000000, 0.0005999700000000, -0.0022739800000000 ] - [ 0.0000894000000000, 0.0011988100000000, -0.0023610800000000 ] - [ -0.0002774100000000, 0.0000011300000000, -0.0011036700000000 ] - [ -0.0003256700000000, 0.0000008100000000, -0.0013249000000000 ] - [ -0.0050128900000000, 0.0000008300000000, -0.0007226100000000 ] - [ -0.0050512000000000, -0.0000003800000000, -0.0007299500000000 ] - [ -0.0000738600000000, -0.0000286400000000, 0.0006507100000000 ] - [ -0.0003275100000000, -0.0000349100000000, -0.0002713200000000 ] - [ -0.0001235400000000, -0.0002923900000000, 0.0003696100000000 ] - [ -0.0001171300000000, 0.0000917700000000, 0.0003715200000000 ] - [ 0.0049760800000000, -0.0000511100000000, 0.0014530300000000 ] - [ 0.0049764900000000, 0.0000509300000000, 0.0014532900000000 ] - [ 0.0006245400000000, -0.0000051700000000, 0.0008352900000000 ] - [ 0.0006257500000000, 0.0000025800000000, 0.0008456800000000 ] - [ 0.0006508400000000, -0.0001793800000000, 0.0009778000000000 ] - [ 0.0005928100000000, -0.0001918900000000, 0.0008414400000000 ] - [ 0.0021693400000000, 0.0000002200000000, 0.0001448300000000 ] - [ 0.0019633200000000, -0.0000002000000000, 0.0001133300000000 ] - [ 0.0000509200000000, -0.0000266400000000, 0.0000311500000000 ] - [ 0.0001955500000000, -0.0000333100000000, -0.0000622600000000 ] - [ -0.0006770200000000, 0.0001326900000000, 0.0000434700000000 ] - [ -0.0006750600000000, 0.0000187500000000, 0.0000540200000000 ] - [ -0.0000622700000000, 0.0000008400000000, -0.0000526900000000 ] - [ -0.0000790100000000, 0.0000007100000000, -0.0000915400000000 ] - [ 0.0032455500000000, -0.0002174500000000, -0.0001489000000000 ] - [ 0.0032454200000000, 0.0002143200000000, -0.0001492000000000 ] - [ -0.0003715000000000, -0.0001514200000000, 0.0001346400000000 ] - [ -0.0003741300000000, 0.0001822200000000, 0.0001327200000000 ] - [ -0.0030509900000000, 0.0000029400000000, 0.0005722400000000 ] - [ -0.0030696900000000, -0.0000051100000000, 0.0005698300000000 ] - [ 0.0038610800000000, 0.0000730900000000, -0.0013612700000000 ] - [ 0.0040331800000000, 0.0000409600000000, -0.0014258300000000 ] - [ 0.0015202600000000, -0.0000173900000000, 0.0022595200000000 ] - [ 0.0015212000000000, 0.0000180100000000, 0.0022605100000000 ] - [ 0.0004752700000000, 0.0000061600000000, -0.0000329300000000 ] - [ -0.0000670800000000, 0.0000019100000000, 0.0011751700000000 ] - [ 0.0014788100000000, -0.0000063000000000, 0.0003242800000000 ] - [ 0.0014903200000000, -0.0000104100000000, 0.0003305500000000 ] - [ 0.0003235500000000, 0.0000002600000000, 0.0000893600000000 ] - [ 0.0001737900000000, 0.0000002100000000, 0.0000636600000000 ] - [ 0.0003130200000000, -0.0000301200000000, -0.0002658600000000 ] - [ -0.0013062200000000, -0.0000319800000000, 0.0000059700000000 ] - [ 0.0000909100000000, 0.0000014100000000, -0.0023415700000000 ] - [ 0.0000880600000000, -0.0000023400000000, -0.0023530500000000 ] - [ -0.0002892400000000, 0.0028909200000000, -0.0013294300000000 ] - [ -0.0003004300000000, 0.0011175800000000, -0.0011674800000000 ] - [ -0.0050145700000000, -0.0019361400000000, -0.0007380000000000 ] - [ -0.0050424100000000, 0.0012036500000000, -0.0007270000000000 ] - [ -0.0002017600000000, 0.0000145600000000, 0.0001825900000000 ] - [ -0.0001986500000000, 0.0000099400000000, 0.0001878300000000 ]- atom: 51 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0050794100000000, -0.0046158600000000, 0.0069813700000000 ] - [ -0.0050794100000000, 0.0046158600000000, 0.0069813700000000 ] - [ -0.0004692100000000, -0.0000833800000000, -0.0031742300000000 ] - [ -0.0004692100000000, 0.0000833800000000, -0.0031742300000000 ] - [ -0.0047311900000000, 0.0000000000000000, -0.0010381000000000 ] - [ -0.0042423100000000, 0.0000000000000000, -0.0010268900000000 ] - [ 0.0029639700000000, 0.0000000000000000, -0.0023585500000000 ] - [ 0.0026723800000000, 0.0000000000000000, -0.0020310700000000 ] - [ -0.0225599000000000, 0.0000000000000000, 0.0046234400000000 ] - [ -0.0087701800000000, 0.0000000000000000, 0.0021993200000000 ] - [ 0.0079279500000000, -0.0006023700000000, -0.0068671600000000 ] - [ 0.0079279500000000, 0.0006023700000000, -0.0068671600000000 ] - [ -0.0035609600000000, 0.0000030100000000, -0.0015878500000000 ] - [ -0.0035609600000000, -0.0000030100000000, -0.0015878500000000 ] - [ -0.0049937000000000, 0.0000400800000000, -0.0032147700000000 ] - [ -0.0049937000000000, -0.0000400800000000, -0.0032147700000000 ] - [ -0.0224513900000000, 0.0000000000000000, 0.2127760100000000 ] - [ 0.0029445200000000, 0.0000000000000000, 0.0120939000000000 ] - [ -0.0087397200000000, -0.0001726600000000, -0.0005735400000000 ] - [ -0.0087397200000000, 0.0001726600000000, -0.0005735400000000 ] - [ 0.0004469200000000, 0.0000000000000000, -0.0007346700000000 ] - [ 0.0010039500000000, 0.0000000000000000, -0.0009198900000000 ] - [ 0.0005844300000000, -0.0096592100000000, -0.0054928600000000 ] - [ 0.0005844300000000, 0.0096592100000000, -0.0054928600000000 ] - [ 0.0317707800000000, 0.0000000000000000, 0.0014112400000000 ] - [ 0.0071140800000000, 0.0000000000000000, 0.0003922800000000 ] - [ 0.0028353900000000, 0.0000000000000000, 0.0074688400000000 ] - [ -0.0088246000000000, 0.0000000000000000, 0.0059217900000000 ] - [ -0.0026920700000000, 0.0001418800000000, -0.0038926000000000 ] - [ -0.0026920700000000, -0.0001418800000000, -0.0038926000000000 ] - [ -0.0003602700000000, 0.0000000000000000, -0.0181945500000000 ] - [ -0.0024329800000000, 0.0000000000000000, -0.0069358400000000 ] - [ 0.0167944300000000, 0.0073808400000000, 0.0021122200000000 ] - [ 0.0167944300000000, -0.0073808400000000, 0.0021122200000000 ] - [ -0.0054674400000000, 0.0000000000000000, -0.0011338900000000 ] - [ -0.0038651500000000, 0.0000000000000000, 0.0007525100000000 ] - [ -0.0000947300000000, 0.0000095600000000, 0.0004636800000000 ] - [ -0.0000947300000000, -0.0000095600000000, 0.0004636800000000 ] - [ -0.0011703600000000, -0.0270412000000000, 0.0114783700000000 ] - [ -0.0011703600000000, 0.0270412000000000, 0.0114783700000000 ] - [ -0.0006807400000000, -0.0006217000000000, -0.0098047500000000 ] - [ -0.0006807400000000, 0.0006217000000000, -0.0098047500000000 ] - [ 0.0013028300000000, 0.0000000000000000, 0.0012346000000000 ] - [ 0.0012683000000000, 0.0000000000000000, 0.0011782200000000 ] - [ 0.0335863200000000, 0.0000000000000000, 0.0041256500000000 ] - [ 0.0065721200000000, 0.0000000000000000, -0.0009357500000000 ] - [ 0.0039764100000000, 0.0000000000000000, 0.0003124300000000 ] - [ 0.0030745800000000, 0.0000000000000000, 0.0002075600000000 ] - [ 0.0023944800000000, 0.0002563300000000, 0.0003448100000000 ] - [ 0.0023944800000000, -0.0002563300000000, 0.0003448100000000 ] - [ 0.0218340300000000, 0.0000000000000000, -0.3357975200000000 ] - [ -0.0000459400000000, 0.0000000000000000, -0.0182258800000000 ] - [ 0.0054103600000000, -0.0017146400000000, -0.0009852900000000 ] - [ 0.0054103600000000, 0.0017146400000000, -0.0009852900000000 ] - [ 0.0011642000000000, -0.0000613300000000, 0.0004264400000000 ] - [ 0.0011642000000000, 0.0000613300000000, 0.0004264400000000 ] - [ 0.0125984300000000, 0.0000000000000000, -0.0005311600000000 ] - [ -0.0001584100000000, 0.0000000000000000, -0.0006697000000000 ] - [ 0.0054429400000000, 0.0000000000000000, -0.0011241600000000 ] - [ 0.0052847900000000, 0.0000000000000000, -0.0011765800000000 ] - [ 0.0082627600000000, 0.0252400300000000, 0.0055969100000000 ] - [ 0.0082627600000000, -0.0252400300000000, 0.0055969100000000 ] - [ 0.0007057600000000, 0.0000000000000000, 0.0016575400000000 ] - [ 0.0006619300000000, 0.0000000000000000, 0.0016748100000000 ] - [ 0.0061333000000000, 0.0008411300000000, 0.0016316300000000 ] - [ 0.0061333000000000, -0.0008411300000000, 0.0016316300000000 ] - [ -0.0513633400000000, 0.0000000000000000, 0.0127736200000000 ] - [ -0.0047485200000000, 0.0000000000000000, -0.0004683700000000 ] - [ 0.0042287000000000, 0.0000000000000000, -0.0001326400000000 ] - [ 0.0024976400000000, 0.0000000000000000, -0.0001714700000000 ] - [ 0.0048402500000000, 0.0000000000000000, 0.0251485300000000 ] - [ -0.0001671500000000, 0.0000000000000000, -0.0023838700000000 ] - [ 0.0000669100000000, 0.0000084500000000, 0.0012187600000000 ] - [ 0.0000669100000000, -0.0000084500000000, 0.0012187600000000 ] - [ -0.0042163300000000, -0.0000859400000000, -0.0005422800000000 ] - [ -0.0042163300000000, 0.0000859400000000, -0.0005422800000000 ] - [ -0.0000134900000000, 0.0006999800000000, 0.0056818000000000 ] - [ -0.0000134900000000, -0.0006999800000000, 0.0056818000000000 ] - [ -0.0015524400000000, 0.0000000000000000, -0.0101874600000000 ] - [ -0.0004499800000000, 0.0000000000000000, -0.0038072000000000 ] - [ 0.0058903700000000, 0.0000000000000000, 0.0018116700000000 ] - [ 0.0057524400000000, 0.0000000000000000, 0.0018065800000000 ] - [ 0.0008319400000000, 0.0000000000000000, 0.0007348900000000 ] - [ 0.0007669300000000, 0.0000000000000000, 0.0009498900000000 ] - [ -0.0024598800000000, 0.0035001700000000, 0.0024231600000000 ] - [ -0.0024598800000000, -0.0035001700000000, 0.0024231600000000 ] - [ 0.0025625400000000, 0.0000017300000000, 0.0005168000000000 ] - [ 0.0025625400000000, -0.0000017300000000, 0.0005168000000000 ] - [ -0.0079308400000000, 0.0010696300000000, 0.0015404800000000 ] - [ -0.0079308400000000, -0.0010696300000000, 0.0015404800000000 ] - [ -0.0073178600000000, 0.0000000000000000, 0.0055248300000000 ] - [ -0.0036439000000000, 0.0000000000000000, 0.0022879400000000 ] - [ 0.0001702900000000, -0.0000135400000000, 0.0012252600000000 ] - [ 0.0001702900000000, 0.0000135400000000, 0.0012252600000000 ] - [ 0.0025766600000000, 0.0000000000000000, 0.0006426900000000 ] - [ 0.0026208800000000, 0.0000000000000000, 0.0005744900000000 ] - [ -0.0051123200000000, 0.0000000000000000, 0.0027147200000000 ] - [ -0.0028483400000000, 0.0000000000000000, 0.0012792800000000 ] - [ -0.0027888500000000, -0.0000822400000000, 0.0010031600000000 ] - [ -0.0027888500000000, 0.0000822400000000, 0.0010031600000000 ] - [ 0.0012628900000000, -0.0019042700000000, 0.0003275100000000 ] - [ 0.0012628900000000, 0.0019042700000000, 0.0003275100000000 ] - [ 0.0019082600000000, 0.0000000000000000, 0.0031824000000000 ] - [ 0.0018224300000000, 0.0000000000000000, 0.0028831700000000 ] - [ -0.0019437700000000, -0.0007088400000000, 0.0066083500000000 ] - [ -0.0019437700000000, 0.0007088400000000, 0.0066083500000000 ] - [ 0.0045050700000000, 0.0000000000000000, 0.0025377000000000 ] - [ 0.0029019300000000, 0.0000000000000000, 0.0014101400000000 ] - [ 0.0019622000000000, -0.0000156800000000, 0.0002639300000000 ] - [ 0.0019622000000000, 0.0000156800000000, 0.0002639300000000 ] - [ -0.0063386800000000, -0.0002392300000000, -0.0000153000000000 ] - [ -0.0063386800000000, 0.0002392300000000, -0.0000153000000000 ] - [ 0.0006825800000000, -0.0005310800000000, -0.0014539800000000 ] - [ 0.0006825800000000, 0.0005310800000000, -0.0014539800000000 ] - [ -0.0038931900000000, 0.0000000000000000, 0.0418048000000000 ] - [ -0.0001112900000000, 0.0000000000000000, 0.0074582000000000 ] - [ -0.0230835700000000, 0.0000000000000000, 0.0080140800000000 ] - [ -0.0079030000000000, 0.0000000000000000, -0.0014207800000000 ] - [ 0.0019862500000000, 0.0000000000000000, 0.0037971500000000 ] - [ 0.0005013000000000, 0.0000000000000000, 0.0015590000000000 ]- atom: 51 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0093472600000000, 0.0044905900000000, -0.0093676100000000 ] - [ 0.0093472600000000, -0.0044905900000000, -0.0093676100000000 ] - [ -0.0065562100000000, 0.0000827500000000, 0.0030550700000000 ] - [ -0.0065562100000000, -0.0000827500000000, 0.0030550700000000 ] - [ 0.0020028000000000, 0.0000000000000000, 0.0009514700000000 ] - [ 0.0015219100000000, 0.0000000000000000, 0.0009291500000000 ] - [ 0.0014112500000000, 0.0000000000000000, -0.0000130300000000 ] - [ 0.0017110600000000, 0.0000000000000000, -0.0003435400000000 ] - [ 0.0153179000000000, 0.0000000000000000, -0.0047421800000000 ] - [ 0.0017108800000000, 0.0000000000000000, -0.0022953000000000 ] - [ -0.0105476800000000, 0.0006114500000000, 0.0067787900000000 ] - [ -0.0105476800000000, -0.0006114500000000, 0.0067787900000000 ] - [ 0.0024495400000000, -0.0000019600000000, -0.0020723900000000 ] - [ 0.0024495400000000, 0.0000019600000000, -0.0020723900000000 ] - [ -0.0015928400000000, -0.0000412800000000, 0.0015907800000000 ] - [ -0.0015928400000000, 0.0000412800000000, 0.0015907800000000 ] - [ 0.0195396100000000, 0.0000000000000000, -0.2315929200000000 ] - [ -0.0052403800000000, 0.0000000000000000, -0.0165125900000000 ] - [ 0.0008735300000000, 0.0001717900000000, 0.0042478200000000 ] - [ 0.0008735300000000, -0.0001717900000000, 0.0042478200000000 ] - [ 0.0067042100000000, 0.0000000000000000, 0.0001531400000000 ] - [ 0.0061735200000000, 0.0000000000000000, 0.0003330600000000 ] - [ -0.0023387500000000, 0.0096919200000000, 0.0108160300000000 ] - [ -0.0023387500000000, -0.0096919200000000, 0.0108160300000000 ] - [ -0.0327958200000000, 0.0000000000000000, -0.0051380600000000 ] - [ -0.0080609500000000, 0.0000000000000000, -0.0040480400000000 ] - [ -0.0088368300000000, 0.0000000000000000, -0.0063055500000000 ] - [ 0.0022072800000000, 0.0000000000000000, -0.0073925900000000 ] - [ 0.0002978800000000, -0.0001396300000000, -0.0005239400000000 ] - [ 0.0002978800000000, 0.0001396300000000, -0.0005239400000000 ] - [ -0.0074409100000000, 0.0000000000000000, 0.0217477200000000 ] - [ -0.0053760500000000, 0.0000000000000000, 0.0106004600000000 ] - [ -0.0095202200000000, -0.0073481100000000, -0.0025198900000000 ] - [ -0.0095202200000000, 0.0073481100000000, -0.0025198900000000 ] - [ 0.0036273900000000, 0.0000000000000000, 0.0064853600000000 ] - [ 0.0020423400000000, 0.0000000000000000, 0.0046208400000000 ] - [ -0.0001360400000000, -0.0000074800000000, 0.0002977300000000 ] - [ -0.0001360400000000, 0.0000074800000000, 0.0002977300000000 ] - [ 0.0110389300000000, 0.0266042700000000, -0.0085020200000000 ] - [ 0.0110389300000000, -0.0266042700000000, -0.0085020200000000 ] - [ 0.0019695500000000, 0.0006507100000000, 0.0113537600000000 ] - [ 0.0019695500000000, -0.0006507100000000, 0.0113537600000000 ] - [ -0.0000483400000000, 0.0000000000000000, 0.0005937300000000 ] - [ -0.0000154600000000, 0.0000000000000000, 0.0006454900000000 ] - [ -0.0289410300000000, 0.0000000000000000, -0.0040301700000000 ] - [ -0.0024006800000000, 0.0000000000000000, 0.0011756500000000 ] - [ -0.0036728000000000, 0.0000000000000000, -0.0003409900000000 ] - [ -0.0027690900000000, 0.0000000000000000, -0.0002379600000000 ] - [ -0.0036667100000000, -0.0002510900000000, -0.0002175300000000 ] - [ -0.0036667100000000, 0.0002510900000000, -0.0002175300000000 ] - [ -0.0223003200000000, 0.0000000000000000, 0.3467811700000000 ] - [ -0.0000960400000000, 0.0000000000000000, 0.0179689100000000 ] - [ 0.0011061700000000, 0.0016957900000000, 0.0006782100000000 ] - [ 0.0011061700000000, -0.0016957900000000, 0.0006782100000000 ] - [ -0.0018838200000000, 0.0000564600000000, -0.0001534300000000 ] - [ -0.0018838200000000, -0.0000564600000000, -0.0001534300000000 ] - [ -0.0185682800000000, 0.0000000000000000, 0.0018713900000000 ] - [ -0.0059660300000000, 0.0000000000000000, 0.0018147400000000 ] - [ 0.0024703500000000, 0.0000000000000000, -0.0016578900000000 ] - [ 0.0026241600000000, 0.0000000000000000, -0.0016069900000000 ] - [ -0.0052545200000000, -0.0252710900000000, -0.0009356100000000 ] - [ -0.0052545200000000, 0.0252710900000000, -0.0009356100000000 ] - [ -0.0002826000000000, 0.0000000000000000, -0.0005331600000000 ] - [ -0.0002442000000000, 0.0000000000000000, -0.0005232500000000 ] - [ -0.0031362900000000, -0.0008318200000000, -0.0009383500000000 ] - [ -0.0031362900000000, 0.0008318200000000, -0.0009383500000000 ] - [ 0.0522508500000000, 0.0000000000000000, -0.0127006800000000 ] - [ 0.0051572500000000, 0.0000000000000000, 0.0006324200000000 ] - [ -0.0051375200000000, 0.0000000000000000, -0.0001289700000000 ] - [ -0.0034455900000000, 0.0000000000000000, -0.0000943500000000 ] - [ -0.0047006500000000, 0.0000000000000000, -0.0300978000000000 ] - [ 0.0003413900000000, 0.0000000000000000, -0.0022770000000000 ] - [ -0.0006668600000000, -0.0000085300000000, -0.0036126700000000 ] - [ -0.0006668600000000, 0.0000085300000000, -0.0036126700000000 ] - [ -0.0058410300000000, 0.0000811700000000, -0.0009081000000000 ] - [ -0.0058410300000000, -0.0000811700000000, -0.0009081000000000 ] - [ -0.0003816100000000, -0.0007005300000000, -0.0052988300000000 ] - [ -0.0003816100000000, 0.0007005300000000, -0.0052988300000000 ] - [ 0.0012977800000000, 0.0000000000000000, 0.0109691800000000 ] - [ 0.0002032800000000, 0.0000000000000000, 0.0045339500000000 ] - [ 0.0040708700000000, 0.0000000000000000, 0.0010983200000000 ] - [ 0.0042059800000000, 0.0000000000000000, 0.0011037600000000 ] - [ 0.0004178000000000, 0.0000000000000000, 0.0009382100000000 ] - [ 0.0004844400000000, 0.0000000000000000, 0.0007511000000000 ] - [ 0.0036782100000000, -0.0035186800000000, -0.0006032900000000 ] - [ 0.0036782100000000, 0.0035186800000000, -0.0006032900000000 ] - [ 0.0015889700000000, -0.0000001600000000, -0.0002555400000000 ] - [ 0.0015889700000000, 0.0000001600000000, -0.0002555400000000 ] - [ 0.0081497300000000, -0.0010705700000000, -0.0015632000000000 ] - [ 0.0081497300000000, 0.0010705700000000, -0.0015632000000000 ] - [ 0.0059725400000000, 0.0000000000000000, -0.0053803700000000 ] - [ 0.0022710100000000, 0.0000000000000000, -0.0021638400000000 ] - [ -0.0003053500000000, 0.0000129800000000, -0.0013548700000000 ] - [ -0.0003053500000000, -0.0000129800000000, -0.0013548700000000 ] - [ 0.0039264500000000, 0.0000000000000000, -0.0009424500000000 ] - [ 0.0038811700000000, 0.0000000000000000, -0.0008743500000000 ] - [ 0.0043407700000000, 0.0000000000000000, -0.0024523900000000 ] - [ 0.0020800800000000, 0.0000000000000000, -0.0010101300000000 ] - [ -0.0033191300000000, 0.0000828300000000, 0.0001398800000000 ] - [ -0.0033191300000000, -0.0000828300000000, 0.0001398800000000 ] - [ 0.0066007000000000, 0.0018793500000000, -0.0031061900000000 ] - [ 0.0066007000000000, -0.0018793500000000, -0.0031061900000000 ] - [ 0.0011395600000000, 0.0000000000000000, 0.0013457600000000 ] - [ 0.0012234600000000, 0.0000000000000000, 0.0016405500000000 ] - [ 0.0023416100000000, 0.0007051500000000, -0.0054787300000000 ] - [ 0.0023416100000000, -0.0007051500000000, -0.0054787300000000 ] - [ -0.0014871900000000, 0.0000000000000000, -0.0018638800000000 ] - [ 0.0000893900000000, 0.0000000000000000, -0.0007474200000000 ] - [ -0.0014348400000000, 0.0000151900000000, -0.0001057400000000 ] - [ -0.0014348400000000, -0.0000151900000000, -0.0001057400000000 ] - [ 0.0053293400000000, 0.0002376500000000, -0.0002625200000000 ] - [ 0.0053293400000000, -0.0002376500000000, -0.0002625200000000 ] - [ -0.0004937000000000, 0.0005224500000000, -0.0032319100000000 ] - [ -0.0004937000000000, -0.0005224500000000, -0.0032319100000000 ] - [ 0.0032396200000000, 0.0000000000000000, -0.0437507200000000 ] - [ -0.0004905500000000, 0.0000000000000000, -0.0098323800000000 ] - [ 0.0127185500000000, 0.0000000000000000, -0.0093326100000000 ] - [ -0.0021975400000000, 0.0000000000000000, -0.0000533700000000 ] - [ -0.0023615200000000, 0.0000000000000000, -0.0033826000000000 ] - [ -0.0008922100000000, 0.0000000000000000, -0.0011774000000000 ]- atom: 53 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0010648400000000, 0.0000000000000000, -0.0023756600000000 ] - [ 0.0010785500000000, 0.0000000000000000, -0.0023678800000000 ] - [ -0.0053588400000000, 0.0000000000000000, -0.0007239000000000 ] - [ -0.0053238200000000, 0.0000000000000000, -0.0007205600000000 ] - [ -0.0009702600000000, -0.0000565300000000, -0.0023034500000000 ] - [ -0.0009702600000000, 0.0000565300000000, -0.0023034500000000 ] - [ 0.0030452700000000, -0.0000791500000000, 0.0019734700000000 ] - [ 0.0030452700000000, 0.0000791500000000, 0.0019734700000000 ] - [ 0.0109639900000000, 0.0004664700000000, 0.0007518600000000 ] - [ 0.0109639900000000, -0.0004664700000000, 0.0007518600000000 ] - [ -0.0017379900000000, 0.0000000000000000, 0.0007245900000000 ] - [ -0.0017285800000000, 0.0000000000000000, 0.0007107600000000 ] - [ -0.0014720400000000, 0.0000000000000000, -0.0024781600000000 ] - [ -0.0014682600000000, 0.0000000000000000, -0.0024715100000000 ] - [ -0.0060352800000000, 0.0000000000000000, -0.0009131900000000 ] - [ -0.0058900000000000, 0.0000000000000000, -0.0009373100000000 ] - [ -0.0011924200000000, 0.0000811800000000, -0.0046044400000000 ] - [ -0.0011924200000000, -0.0000811800000000, -0.0046044400000000 ] - [ -0.0052246900000000, 0.0000000000000000, 0.0004998700000000 ] - [ -0.0052066000000000, 0.0000000000000000, 0.0005177500000000 ] - [ -0.0034786800000000, -0.0005777600000000, 0.0001754100000000 ] - [ -0.0034786800000000, 0.0005777600000000, 0.0001754100000000 ] - [ -0.0018642500000000, 0.0000000000000000, 0.0020626300000000 ] - [ -0.0018591300000000, 0.0000000000000000, 0.0020728600000000 ] - [ 0.0016010000000000, -0.0000359600000000, -0.0009152800000000 ] - [ 0.0016010000000000, 0.0000359600000000, -0.0009152800000000 ] - [ -0.0102415900000000, 0.0006476500000000, -0.0000726500000000 ] - [ -0.0102415900000000, -0.0006476500000000, -0.0000726500000000 ] - [ -0.0016853600000000, 0.0000000000000000, -0.0013257600000000 ] - [ -0.0016505500000000, 0.0000000000000000, -0.0013803500000000 ] - [ -0.0031539500000000, 0.0000658300000000, 0.0054378500000000 ] - [ -0.0031539500000000, -0.0000658300000000, 0.0054378500000000 ] - [ 0.0008786400000000, 0.0000000000000000, -0.0003625000000000 ] - [ 0.0010261700000000, 0.0000000000000000, -0.0003776900000000 ] - [ 0.0012992600000000, -0.0000295500000000, 0.0035978200000000 ] - [ 0.0012992600000000, 0.0000295500000000, 0.0035978200000000 ] - [ 0.0000856200000000, 0.0000000000000000, 0.0008901000000000 ] - [ 0.0000838600000000, 0.0000000000000000, 0.0008963300000000 ] - [ 0.0065575800000000, 0.0000000000000000, 0.0017380300000000 ] - [ 0.0063834200000000, 0.0000000000000000, 0.0017453200000000 ] - [ 0.0009059700000000, 0.0000000000000000, 0.0017472900000000 ] - [ 0.0008965700000000, 0.0000000000000000, 0.0017531200000000 ] - [ 0.0008070100000000, 0.0000009400000000, 0.0012860900000000 ] - [ 0.0008070100000000, -0.0000009400000000, 0.0012860900000000 ] - [ 0.0125003800000000, -0.0101853300000000, -0.0000753000000000 ] - [ 0.0125003800000000, 0.0101853300000000, -0.0000753000000000 ] - [ -0.0013724300000000, 0.0000985100000000, 0.0001024700000000 ] - [ -0.0013724300000000, -0.0000985100000000, 0.0001024700000000 ] - [ 0.0003807200000000, 0.0000000000000000, 0.0005591000000000 ] - [ 0.0003617200000000, 0.0000000000000000, 0.0005494900000000 ] - [ 0.0002464900000000, -0.0000468400000000, 0.0025893400000000 ] - [ 0.0002464900000000, 0.0000468400000000, 0.0025893400000000 ] - [ -0.0439763300000000, 0.0000000000000000, -0.0005567800000000 ] - [ 0.0086181000000000, 0.0000000000000000, -0.0003838400000000 ] - [ 0.0000296300000000, 0.0000000000000000, 0.0005652900000000 ] - [ 0.0000125900000000, 0.0000000000000000, 0.0005492900000000 ] - [ -0.0026054700000000, -0.0000151900000000, 0.0008215000000000 ] - [ -0.0026054700000000, 0.0000151900000000, 0.0008215000000000 ] - [ 0.0043102300000000, 0.0000050300000000, -0.0011664900000000 ] - [ 0.0043102300000000, -0.0000050300000000, -0.0011664900000000 ] - [ 0.0018556100000000, 0.0000000000000000, 0.0026262100000000 ] - [ 0.0018445700000000, 0.0000000000000000, 0.0026111400000000 ] - [ 0.0004672200000000, 0.0000298200000000, 0.0033362500000000 ] - [ 0.0004672200000000, -0.0000298200000000, 0.0033362500000000 ] - [ 0.0025725500000000, 0.0000000000000000, 0.0007743800000000 ] - [ 0.0025595700000000, 0.0000000000000000, 0.0007649300000000 ] - [ -0.0009986100000000, -0.0000868800000000, 0.0002635300000000 ] - [ -0.0009986100000000, 0.0000868800000000, 0.0002635300000000 ] - [ 0.0101300700000000, 0.0103973300000000, 0.0002811400000000 ] - [ 0.0101300700000000, -0.0103973300000000, 0.0002811400000000 ] - [ 0.0002874900000000, -0.0000040600000000, -0.0019236100000000 ] - [ 0.0002874900000000, 0.0000040600000000, -0.0019236100000000 ] - [ -0.0000521000000000, 0.0000000000000000, -0.0002120800000000 ] - [ -0.0000613500000000, 0.0000000000000000, -0.0002249000000000 ] - [ -0.0033114100000000, 0.0000000000000000, -0.0006009100000000 ] - [ -0.0035358300000000, 0.0000000000000000, -0.0006214600000000 ] - [ 0.0000241100000000, 0.0000000000000000, 0.0006861200000000 ] - [ 0.0000210800000000, 0.0000000000000000, 0.0006702800000000 ] - [ -0.0029422200000000, 0.0005918600000000, -0.0009505300000000 ] - [ -0.0029422200000000, -0.0005918600000000, -0.0009505300000000 ] - [ 0.0060840500000000, 0.0000792400000000, 0.0014792400000000 ] - [ 0.0060840500000000, -0.0000792400000000, 0.0014792400000000 ] - [ 0.0008625000000000, 0.0000960100000000, -0.0024373900000000 ] - [ 0.0008625000000000, -0.0000960100000000, -0.0024373900000000 ] - [ 0.0002232300000000, 0.0000000000000000, 0.0006201300000000 ] - [ 0.0004438300000000, 0.0000000000000000, 0.0006115600000000 ] - [ 0.0037639600000000, 0.0000000000000000, 0.0000678000000000 ] - [ 0.0037095700000000, 0.0000000000000000, 0.0000785700000000 ] - [ 0.0006896000000000, 0.0000000000000000, 0.0000133100000000 ] - [ 0.0006967000000000, 0.0000000000000000, 0.0000119100000000 ] - [ -0.0020449700000000, 0.0000644600000000, -0.0010128500000000 ] - [ -0.0020449700000000, -0.0000644600000000, -0.0010128500000000 ] - [ 0.0001714300000000, 0.0000000000000000, -0.0007204300000000 ] - [ 0.0001563800000000, 0.0000000000000000, -0.0006763800000000 ] - [ 0.0036313100000000, 0.0000168000000000, -0.0000002400000000 ] - [ 0.0036313100000000, -0.0000168000000000, -0.0000002400000000 ] - [ -0.0004015800000000, 0.0000005700000000, -0.0002008000000000 ] - [ -0.0004015800000000, -0.0000005700000000, -0.0002008000000000 ] - [ -0.0029142900000000, 0.0000000000000000, 0.0001109600000000 ] - [ -0.0029568600000000, 0.0000000000000000, 0.0001227300000000 ] - [ 0.0040309100000000, 0.0000000000000000, -0.0018089400000000 ] - [ 0.0040042900000000, 0.0000000000000000, -0.0018004100000000 ] - [ 0.0015216000000000, 0.0000022100000000, 0.0019323100000000 ] - [ 0.0015216000000000, -0.0000022100000000, 0.0019323100000000 ] - [ 0.0004768400000000, 0.0000000000000000, -0.0001437500000000 ] - [ 0.0004631000000000, 0.0000000000000000, -0.0001014000000000 ] - [ 0.0000733400000000, -0.0000418400000000, -0.0005087800000000 ] - [ 0.0000733400000000, 0.0000418400000000, -0.0005087800000000 ] - [ 0.0007831800000000, 0.0000000000000000, 0.0000614300000000 ] - [ 0.0007756800000000, 0.0000000000000000, 0.0000631900000000 ] - [ 0.0012605200000000, 0.0000000000000000, -0.0001001000000000 ] - [ 0.0011800200000000, 0.0000000000000000, -0.0000954100000000 ] - [ -0.0002499000000000, 0.0000000000000000, -0.0027463200000000 ] - [ -0.0000813900000000, 0.0000000000000000, -0.0026611400000000 ] - [ -0.0000586700000000, -0.0000884500000000, -0.0047753200000000 ] - [ -0.0000586700000000, 0.0000884500000000, -0.0047753200000000 ] - [ -0.0038016800000000, -0.0000928700000000, -0.0007108600000000 ] - [ -0.0038016800000000, 0.0000928700000000, -0.0007108600000000 ] - [ -0.0027816300000000, -0.0007995400000000, -0.0011641800000000 ] - [ -0.0027816300000000, 0.0007995400000000, -0.0011641800000000 ]- atom: 53 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0033201100000000, 0.0000000000000000, 0.0000171800000000 ] - [ 0.0033062200000000, 0.0000000000000000, -0.0000018600000000 ] - [ -0.0016672600000000, 0.0000000000000000, 0.0006117100000000 ] - [ -0.0017019700000000, 0.0000000000000000, 0.0006073400000000 ] - [ -0.0016957600000000, 0.0000570100000000, 0.0022242900000000 ] - [ -0.0016957600000000, -0.0000570100000000, 0.0022242900000000 ] - [ 0.0013494800000000, 0.0000772400000000, -0.0043216800000000 ] - [ 0.0013494800000000, -0.0000772400000000, -0.0043216800000000 ] - [ -0.0180423200000000, -0.0011866800000000, -0.0008671100000000 ] - [ -0.0180423200000000, 0.0011866800000000, -0.0008671100000000 ] - [ -0.0009456200000000, 0.0000000000000000, -0.0008053400000000 ] - [ -0.0009633500000000, 0.0000000000000000, -0.0007995500000000 ] - [ 0.0004349800000000, 0.0000000000000000, -0.0011796300000000 ] - [ 0.0004327400000000, 0.0000000000000000, -0.0011912700000000 ] - [ -0.0005482700000000, 0.0000000000000000, -0.0006748000000000 ] - [ -0.0006953600000000, 0.0000000000000000, -0.0006518700000000 ] - [ -0.0011909400000000, -0.0000806400000000, 0.0002124200000000 ] - [ -0.0011909400000000, 0.0000806400000000, 0.0002124200000000 ] - [ -0.0025965100000000, 0.0000000000000000, 0.0032265200000000 ] - [ -0.0026128300000000, 0.0000000000000000, 0.0032141200000000 ] - [ 0.0106808900000000, 0.0005894100000000, -0.0007447600000000 ] - [ 0.0106808900000000, -0.0005894100000000, -0.0007447600000000 ] - [ 0.0000820600000000, 0.0000000000000000, 0.0033235300000000 ] - [ 0.0000729200000000, 0.0000000000000000, 0.0033146300000000 ] - [ -0.0026513300000000, 0.0000342800000000, -0.0028017000000000 ] - [ -0.0026513300000000, -0.0000342800000000, -0.0028017000000000 ] - [ 0.0036750000000000, -0.0006405300000000, -0.0015177800000000 ] - [ 0.0036750000000000, 0.0006405300000000, -0.0015177800000000 ] - [ -0.0006835500000000, 0.0000000000000000, -0.0030597200000000 ] - [ -0.0007158000000000, 0.0000000000000000, -0.0030070300000000 ] - [ -0.0046686500000000, -0.0000696400000000, -0.0017248000000000 ] - [ -0.0046686500000000, 0.0000696400000000, -0.0017248000000000 ] - [ 0.0063362300000000, 0.0000000000000000, -0.0002028600000000 ] - [ 0.0061908200000000, 0.0000000000000000, -0.0001979900000000 ] - [ -0.0030633700000000, 0.0000299600000000, 0.0018508400000000 ] - [ -0.0030633700000000, -0.0000299600000000, 0.0018508400000000 ] - [ -0.0003199100000000, 0.0000000000000000, -0.0001474200000000 ] - [ -0.0003177100000000, 0.0000000000000000, -0.0001371700000000 ] - [ 0.0034022000000000, 0.0000000000000000, 0.0011596000000000 ] - [ 0.0035568100000000, 0.0000000000000000, 0.0011546700000000 ] - [ 0.0003435700000000, 0.0000000000000000, -0.0000803700000000 ] - [ 0.0003520900000000, 0.0000000000000000, -0.0000530000000000 ] - [ 0.0004370500000000, -0.0000020800000000, 0.0005321900000000 ] - [ 0.0004370500000000, 0.0000020800000000, 0.0005321900000000 ] - [ -0.0084720800000000, 0.0103756000000000, 0.0003248900000000 ] - [ -0.0084720800000000, -0.0103756000000000, 0.0003248900000000 ] - [ 0.0016036600000000, -0.0000986900000000, -0.0001368100000000 ] - [ 0.0016036600000000, 0.0000986900000000, -0.0001368100000000 ] - [ -0.0017203900000000, 0.0000000000000000, -0.0004492600000000 ] - [ -0.0017221300000000, 0.0000000000000000, -0.0004467300000000 ] - [ -0.0003860600000000, 0.0000472000000000, -0.0027534400000000 ] - [ -0.0003860600000000, -0.0000472000000000, -0.0027534400000000 ] - [ 0.0505092500000000, 0.0000000000000000, 0.0002292600000000 ] - [ -0.0020761800000000, 0.0000000000000000, 0.0000819500000000 ] - [ -0.0007761500000000, 0.0000000000000000, -0.0002994300000000 ] - [ -0.0007579500000000, 0.0000000000000000, -0.0002848500000000 ] - [ -0.0035156700000000, -0.0000019100000000, 0.0003196600000000 ] - [ -0.0035156700000000, 0.0000019100000000, 0.0003196600000000 ] - [ 0.0035811800000000, -0.0000044300000000, -0.0016186400000000 ] - [ 0.0035811800000000, 0.0000044300000000, -0.0016186400000000 ] - [ 0.0011821800000000, 0.0000000000000000, 0.0018931200000000 ] - [ 0.0012014600000000, 0.0000000000000000, 0.0019108800000000 ] - [ -0.0000543600000000, -0.0000296700000000, -0.0021989500000000 ] - [ -0.0000543600000000, 0.0000296700000000, -0.0021989500000000 ] - [ 0.0004004900000000, 0.0000000000000000, -0.0001124400000000 ] - [ 0.0004081700000000, 0.0000000000000000, -0.0001090000000000 ] - [ 0.0015186400000000, 0.0000872600000000, -0.0001106300000000 ] - [ 0.0015186400000000, -0.0000872600000000, -0.0001106300000000 ] - [ -0.0109935200000000, -0.0102068600000000, -0.0005285200000000 ] - [ -0.0109935200000000, 0.0102068600000000, -0.0005285200000000 ] - [ -0.0001046900000000, 0.0000012400000000, -0.0027709200000000 ] - [ -0.0001046900000000, -0.0000012400000000, -0.0027709200000000 ] - [ -0.0005517300000000, 0.0000000000000000, -0.0022127300000000 ] - [ -0.0005425800000000, 0.0000000000000000, -0.0022001900000000 ] - [ -0.0067661600000000, 0.0000000000000000, -0.0008455300000000 ] - [ -0.0065221300000000, 0.0000000000000000, -0.0008281800000000 ] - [ -0.0004189900000000, 0.0000000000000000, -0.0003008200000000 ] - [ -0.0004170700000000, 0.0000000000000000, -0.0003045500000000 ] - [ 0.0027020100000000, -0.0006161400000000, 0.0017983800000000 ] - [ 0.0027020100000000, 0.0006161400000000, 0.0017983800000000 ] - [ 0.0038691300000000, -0.0000792500000000, 0.0014255200000000 ] - [ 0.0038691300000000, 0.0000792500000000, 0.0014255200000000 ] - [ 0.0003846100000000, -0.0000945300000000, 0.0041044200000000 ] - [ 0.0003846100000000, 0.0000945300000000, 0.0041044200000000 ] - [ 0.0010238800000000, 0.0000000000000000, 0.0012067800000000 ] - [ 0.0008033700000000, 0.0000000000000000, 0.0012112500000000 ] - [ 0.0003693500000000, 0.0000000000000000, 0.0001891300000000 ] - [ 0.0004402700000000, 0.0000000000000000, 0.0001784800000000 ] - [ -0.0004368400000000, 0.0000000000000000, -0.0000436200000000 ] - [ -0.0004150000000000, 0.0000000000000000, -0.0000424600000000 ] - [ 0.0006790400000000, -0.0000641200000000, 0.0011224600000000 ] - [ 0.0006790400000000, 0.0000641200000000, 0.0011224600000000 ] - [ -0.0003117300000000, 0.0000000000000000, 0.0005625000000000 ] - [ -0.0002967200000000, 0.0000000000000000, 0.0005210200000000 ] - [ 0.0028758800000000, 0.0000110700000000, -0.0002996600000000 ] - [ 0.0028758800000000, -0.0000110700000000, -0.0002996600000000 ] - [ -0.0003456700000000, 0.0000105400000000, 0.0004734600000000 ] - [ -0.0003456700000000, -0.0000105400000000, 0.0004734600000000 ] - [ -0.0032065300000000, 0.0000000000000000, 0.0010275300000000 ] - [ -0.0031655300000000, 0.0000000000000000, 0.0010155500000000 ] - [ 0.0038624400000000, 0.0000000000000000, -0.0009738000000000 ] - [ 0.0038813700000000, 0.0000000000000000, -0.0009820600000000 ] - [ 0.0015200100000000, -0.0000022500000000, 0.0025814100000000 ] - [ 0.0015200100000000, 0.0000022500000000, 0.0025814100000000 ] - [ -0.0000636500000000, 0.0000000000000000, 0.0012565600000000 ] - [ -0.0000510700000000, 0.0000000000000000, 0.0012530600000000 ] - [ 0.0029076000000000, 0.0000420400000000, 0.0011638500000000 ] - [ 0.0029076000000000, -0.0000420400000000, 0.0011638500000000 ] - [ -0.0002883900000000, 0.0000000000000000, 0.0000904600000000 ] - [ -0.0002823700000000, 0.0000000000000000, 0.0000882300000000 ] - [ -0.0022317000000000, 0.0000000000000000, -0.0001604900000000 ] - [ -0.0021717700000000, 0.0000000000000000, -0.0001676100000000 ] - [ 0.0004307500000000, 0.0000000000000000, -0.0019598800000000 ] - [ 0.0002614700000000, 0.0000000000000000, -0.0020454800000000 ] - [ -0.0005441300000000, 0.0000887200000000, 0.0023679500000000 ] - [ -0.0005441300000000, -0.0000887200000000, 0.0023679500000000 ] - [ -0.0062675700000000, 0.0000915100000000, -0.0007389700000000 ] - [ -0.0062675700000000, -0.0000915100000000, -0.0007389700000000 ] - [ 0.0023898200000000, 0.0007769800000000, 0.0014395800000000 ] - [ 0.0023898200000000, -0.0007769800000000, 0.0014395800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021920300000000, 0.0005966900000000, -0.0011811500000000 ] - [ 0.0021940300000000, -0.0006011500000000, -0.0011880100000000 ] - [ -0.0035171200000000, 0.0000414800000000, -0.0000562400000000 ] - [ -0.0035155200000000, -0.0000468400000000, -0.0000569800000000 ] - [ -0.0029779700000000, 0.0000006100000000, -0.0020482800000000 ] - [ 0.0003017400000000, -0.0000038600000000, 0.0019768400000000 ] - [ 0.0012162000000000, 0.0000046400000000, 0.0003903600000000 ] - [ 0.0031830600000000, 0.0000008900000000, -0.0027500500000000 ] - [ -0.0034423400000000, -0.0436138700000000, 0.0001454000000000 ] - [ -0.0035610200000000, -0.0499283800000000, -0.0002443700000000 ] - [ -0.0013409900000000, 0.0013509400000000, -0.0000360300000000 ] - [ -0.0013454700000000, -0.0013325200000000, -0.0000385700000000 ] - [ -0.0005230800000000, 0.0004325900000000, -0.0018342700000000 ] - [ -0.0005233100000000, -0.0004328000000000, -0.0018330200000000 ] - [ -0.0032848600000000, 0.0016134200000000, -0.0007953900000000 ] - [ -0.0032879000000000, -0.0016033700000000, -0.0007966300000000 ] - [ 0.0006272500000000, 0.0000004100000000, -0.0004016500000000 ] - [ -0.0030069700000000, -0.0000067900000000, -0.0040103800000000 ] - [ -0.0039108500000000, 0.0005755300000000, 0.0018630600000000 ] - [ -0.0039104800000000, -0.0005764800000000, 0.0018645700000000 ] - [ -0.0130842300000000, 0.0001447800000000, 0.0005692700000000 ] - [ 0.0202475500000000, 0.0001087600000000, -0.0011354100000000 ] - [ -0.0008915900000000, 0.0004053200000000, 0.0026956000000000 ] - [ -0.0008921400000000, -0.0004062200000000, 0.0026961300000000 ] - [ 0.0009263000000000, 0.0001758800000000, 0.0106138300000000 ] - [ -0.0019694900000000, 0.0001463000000000, -0.0142829500000000 ] - [ 0.0120490600000000, -0.0000460800000000, -0.0019419600000000 ] - [ -0.0186032800000000, -0.0000788100000000, 0.0003575300000000 ] - [ -0.0011854900000000, 0.0013517300000000, -0.0021961200000000 ] - [ -0.0011850700000000, -0.0013360900000000, -0.0021997100000000 ] - [ -0.0028697600000000, 0.0000135200000000, 0.0006349300000000 ] - [ -0.0049570000000000, 0.0000111800000000, 0.0030946600000000 ] - [ 0.0035993400000000, 0.0016791300000000, -0.0002821400000000 ] - [ 0.0036019800000000, -0.0016766600000000, -0.0002838300000000 ] - [ -0.0028049400000000, 0.0003217800000000, -0.0086414900000000 ] - [ 0.0010274500000000, 0.0002910300000000, 0.0140516100000000 ] - [ -0.0001185400000000, -0.0000260000000000, 0.0003770400000000 ] - [ -0.0001188500000000, 0.0000271400000000, 0.0003785600000000 ] - [ 0.0049970800000000, -0.0069375200000000, 0.0014474700000000 ] - [ 0.0049834700000000, 0.0074298100000000, 0.0014509300000000 ] - [ 0.0006265400000000, -0.0001863900000000, 0.0008368500000000 ] - [ 0.0006264100000000, 0.0001860800000000, 0.0008506200000000 ] - [ 0.0007599700000000, 0.0000003300000000, 0.0012847000000000 ] - [ 0.0004834200000000, 0.0000020700000000, 0.0005344600000000 ] - [ -0.0258301300000000, 0.0116506100000000, 0.0006168200000000 ] - [ 0.0296268000000000, 0.0116997800000000, -0.0003763000000000 ] - [ 0.0024805600000000, 0.0000270300000000, 0.0004547300000000 ] - [ -0.0022191500000000, 0.0000310000000000, -0.0004895900000000 ] - [ -0.0006702500000000, -0.0000873600000000, 0.0000525500000000 ] - [ -0.0006758000000000, 0.0000883300000000, 0.0000503700000000 ] - [ -0.0008122200000000, -0.0000377000000000, -0.0024755700000000 ] - [ 0.0006732800000000, -0.0000348600000000, 0.0023286000000000 ] - [ 0.0031956400000000, -0.1522184800000000, -0.0001634200000000 ] - [ 0.0032402900000000, 0.1609062400000000, -0.0001498400000000 ] - [ -0.0003733400000000, -0.0011183200000000, 0.0001330800000000 ] - [ -0.0003724900000000, 0.0011107800000000, 0.0001325900000000 ] - [ -0.0036587500000000, 0.0000020200000000, 0.0004711800000000 ] - [ -0.0024615200000000, 0.0000128700000000, 0.0006680300000000 ] - [ 0.0044031700000000, 0.0000035800000000, -0.0012598500000000 ] - [ 0.0034924700000000, 0.0000031600000000, -0.0015257700000000 ] - [ 0.0015227700000000, -0.0010548400000000, 0.0022604000000000 ] - [ 0.0015227000000000, 0.0010462400000000, 0.0022619300000000 ] - [ 0.0010643900000000, -0.0000396300000000, 0.0032712400000000 ] - [ -0.0006479500000000, -0.0000373600000000, -0.0021299000000000 ] - [ 0.0014872700000000, -0.0000893300000000, 0.0003287700000000 ] - [ 0.0014850800000000, 0.0000908500000000, 0.0003293100000000 ] - [ -0.0018291600000000, -0.0000002100000000, -0.0002893300000000 ] - [ 0.0023300500000000, 0.0000036300000000, 0.0004454600000000 ] - [ 0.0298546000000000, 0.0118307800000000, 0.0007946900000000 ] - [ -0.0304379200000000, 0.0118865400000000, -0.0010312200000000 ] - [ -0.0000269000000000, 0.0000010900000000, -0.0027281000000000 ] - [ 0.0002070400000000, 0.0000035400000000, -0.0019640000000000 ] - [ -0.0003030700000000, -0.0001738700000000, -0.0012145000000000 ] - [ -0.0003027600000000, 0.0001726000000000, -0.0012140100000000 ] - [ -0.0050495000000000, -0.0073163000000000, -0.0007225200000000 ] - [ -0.0050356100000000, 0.0077160000000000, -0.0007244200000000 ] - [ -0.0002004900000000, -0.0000207600000000, 0.0001875800000000 ] - [ -0.0002011200000000, 0.0000221600000000, 0.0001839300000000 ] - [ 0.0000987900000000, 0.0090708900000000, -0.0224080900000000 ] - [ -0.0003245800000000, 0.0091331100000000, 0.0229030400000000 ] - [ 0.0067938300000000, 0.0000513200000000, 0.0015129300000000 ] - [ 0.0031753100000000, 0.0000552400000000, 0.0013937000000000 ] - [ 0.0014468000000000, 0.0000104100000000, -0.0024088500000000 ] - [ -0.0001971900000000, 0.0000140400000000, 0.0040717300000000 ] - [ 0.0006203300000000, -0.0063107400000000, 0.0009264700000000 ] - [ 0.0006208600000000, 0.0064947200000000, 0.0009156100000000 ] - [ 0.0020655000000000, -0.0000888100000000, 0.0001291800000000 ] - [ 0.0020689100000000, 0.0001027600000000, 0.0001288400000000 ] - [ 0.0001293000000000, -0.0001664200000000, -0.0000132600000000 ] - [ 0.0001401400000000, 0.0001667100000000, -0.0000145700000000 ] - [ 0.0003339100000000, -0.0000211500000000, -0.0005768400000000 ] - [ -0.0016837300000000, -0.0000193100000000, 0.0006803600000000 ] - [ -0.0000703700000000, -0.0002323400000000, -0.0000713000000000 ] - [ -0.0000701100000000, 0.0002331800000000, -0.0000701600000000 ] - [ 0.0032514100000000, 0.0000158300000000, -0.0001496300000000 ] - [ 0.0032498100000000, -0.0000112700000000, -0.0001505900000000 ] - [ -0.0007037400000000, 0.0000378200000000, -0.0010818500000000 ] - [ -0.0000414900000000, 0.0000368100000000, 0.0013400900000000 ] - [ -0.0030609200000000, -0.0016998900000000, 0.0005685200000000 ] - [ -0.0030609200000000, 0.0016935200000000, 0.0005683500000000 ] - [ 0.0039479400000000, -0.0017640400000000, -0.0013932800000000 ] - [ 0.0039491400000000, 0.0017555300000000, -0.0013930300000000 ] - [ 0.0017807700000000, 0.0000034200000000, 0.0031623400000000 ] - [ 0.0012603800000000, 0.0000052200000000, 0.0013602300000000 ] - [ 0.0002081200000000, -0.0002813900000000, 0.0005539000000000 ] - [ 0.0002075100000000, 0.0002813300000000, 0.0005693700000000 ] - [ 0.0007726600000000, -0.0000281800000000, 0.0008070500000000 ] - [ 0.0022004000000000, -0.0000266800000000, -0.0001537500000000 ] - [ 0.0002500800000000, -0.0001753000000000, 0.0000757800000000 ] - [ 0.0002503300000000, 0.0001766000000000, 0.0000761600000000 ] - [ -0.0004835800000000, -0.0000824500000000, -0.0001313700000000 ] - [ -0.0004884100000000, 0.0000992400000000, -0.0001307200000000 ] - [ 0.0000839000000000, -0.0059912600000000, -0.0023640400000000 ] - [ 0.0000865800000000, 0.0059982500000000, -0.0023528700000000 ] - [ -0.0010317700000000, 0.0000045400000000, 0.0017356700000000 ] - [ 0.0004293000000000, 0.0000082600000000, -0.0041536000000000 ] - [ -0.0069867500000000, 0.0000869100000000, -0.0008084400000000 ] - [ -0.0030877700000000, 0.0000908300000000, -0.0006441500000000 ] - [ -0.0002828000000000, 0.0085295600000000, 0.0211565500000000 ] - [ -0.0001405200000000, 0.0085911100000000, -0.0205582100000000 ]- atom: 53 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0018858400000000, 0.0000000000000000, -0.0009758500000000 ] - [ 0.0018882100000000, 0.0000000000000000, -0.0009781800000000 ] - [ -0.0032353800000000, 0.0000000000000000, -0.0003180700000000 ] - [ -0.0032305000000000, 0.0000000000000000, -0.0003126000000000 ] - [ -0.0035922400000000, -0.0000279500000000, 0.0012115200000000 ] - [ -0.0035922400000000, 0.0000279500000000, 0.0012115200000000 ] - [ 0.0038297800000000, 0.0000896800000000, -0.0026313600000000 ] - [ 0.0038297800000000, -0.0000896800000000, -0.0026313600000000 ] - [ -0.0100382700000000, -0.0006829500000000, 0.0104278500000000 ] - [ -0.0100382700000000, 0.0006829500000000, 0.0104278500000000 ] - [ -0.0010290900000000, 0.0000000000000000, -0.0019616400000000 ] - [ -0.0010599000000000, 0.0000000000000000, -0.0018204200000000 ] - [ -0.0009916400000000, 0.0000000000000000, -0.0020414000000000 ] - [ -0.0009781900000000, 0.0000000000000000, -0.0020392200000000 ] - [ -0.0023879500000000, 0.0000000000000000, -0.0011701300000000 ] - [ -0.0024392500000000, 0.0000000000000000, -0.0011405600000000 ] - [ -0.0033341100000000, 0.0000363400000000, -0.0009495500000000 ] - [ -0.0033341100000000, -0.0000363400000000, -0.0009495500000000 ] - [ -0.0043266100000000, 0.0000000000000000, 0.0020816900000000 ] - [ -0.0043212600000000, 0.0000000000000000, 0.0020789600000000 ] - [ 0.0070479900000000, 0.0002486800000000, 0.0010660700000000 ] - [ 0.0070479900000000, -0.0002486800000000, 0.0010660700000000 ] - [ -0.0013600900000000, 0.0000000000000000, 0.0024973600000000 ] - [ -0.0013435500000000, 0.0000000000000000, 0.0025001600000000 ] - [ -0.0016200200000000, 0.0005623500000000, -0.0083973400000000 ] - [ -0.0016200200000000, -0.0005623500000000, -0.0083973400000000 ] - [ 0.0002812200000000, -0.0003009400000000, 0.0003101100000000 ] - [ 0.0002812200000000, 0.0003009400000000, 0.0003101100000000 ] - [ -0.0005261800000000, 0.0000000000000000, -0.0044823700000000 ] - [ -0.0005922900000000, 0.0000000000000000, -0.0042885500000000 ] - [ -0.0017938800000000, -0.0000790400000000, -0.0004770100000000 ] - [ -0.0017938800000000, 0.0000790400000000, -0.0004770100000000 ] - [ 0.0045785800000000, 0.0000000000000000, -0.0006741500000000 ] - [ 0.0045251800000000, 0.0000000000000000, -0.0006425500000000 ] - [ -0.0021331200000000, -0.0004863800000000, -0.0034654200000000 ] - [ -0.0021331200000000, 0.0004863800000000, -0.0034654200000000 ] - [ -0.0000862800000000, 0.0000000000000000, 0.0005760000000000 ] - [ -0.0000878400000000, 0.0000000000000000, 0.0005792000000000 ] - [ 0.0042525200000000, 0.0000000000000000, 0.0010260700000000 ] - [ 0.0042889700000000, 0.0000000000000000, 0.0012976200000000 ] - [ 0.0005713900000000, 0.0000000000000000, 0.0005648200000000 ] - [ 0.0005747500000000, 0.0000000000000000, 0.0005700700000000 ] - [ 0.0007594100000000, 0.0000038600000000, 0.0009542700000000 ] - [ 0.0007594100000000, -0.0000038600000000, 0.0009542700000000 ] - [ -0.0030811500000000, 0.0046498900000000, -0.0027775200000000 ] - [ -0.0030811500000000, -0.0046498900000000, -0.0027775200000000 ] - [ 0.0033020100000000, 0.0000532400000000, 0.0001500300000000 ] - [ 0.0033020100000000, -0.0000532400000000, 0.0001500300000000 ] - [ -0.0004022100000000, 0.0000000000000000, 0.0000485600000000 ] - [ -0.0004113400000000, 0.0000000000000000, 0.0000461700000000 ] - [ -0.0000610800000000, -0.0000641500000000, -0.0021346600000000 ] - [ -0.0000610800000000, 0.0000641500000000, -0.0021346600000000 ] - [ 0.0266673500000000, 0.0000000000000000, -0.0337331100000000 ] - [ 0.0003778400000000, 0.0000000000000000, 0.0059236500000000 ] - [ -0.0000243900000000, 0.0000000000000000, 0.0001292500000000 ] - [ -0.0000415800000000, 0.0000000000000000, 0.0001262900000000 ] - [ -0.0027319300000000, -0.0000035100000000, 0.0005085900000000 ] - [ -0.0027319300000000, 0.0000035100000000, 0.0005085900000000 ] - [ 0.0042030500000000, 0.0000001400000000, -0.0014418700000000 ] - [ 0.0042030500000000, -0.0000001400000000, -0.0014418700000000 ] - [ 0.0017835100000000, 0.0000000000000000, 0.0022749300000000 ] - [ 0.0017728200000000, 0.0000000000000000, 0.0022727800000000 ] - [ 0.0002872000000000, 0.0000817600000000, -0.0016804600000000 ] - [ 0.0002872000000000, -0.0000817600000000, -0.0016804600000000 ] - [ 0.0017738800000000, 0.0000000000000000, 0.0003444600000000 ] - [ 0.0017683800000000, 0.0000000000000000, 0.0003405600000000 ] - [ 0.0030920500000000, -0.0000345200000000, 0.0001188300000000 ] - [ 0.0030920500000000, 0.0000345200000000, 0.0001188300000000 ] - [ -0.0052332900000000, -0.0042536000000000, -0.0032466500000000 ] - [ -0.0052332900000000, 0.0042536000000000, -0.0032466500000000 ] - [ 0.0002036400000000, -0.0000055300000000, -0.0023270800000000 ] - [ 0.0002036400000000, 0.0000055300000000, -0.0023270800000000 ] - [ -0.0003412600000000, 0.0000000000000000, -0.0014688200000000 ] - [ -0.0003368400000000, 0.0000000000000000, -0.0014677200000000 ] - [ -0.0057498300000000, 0.0000000000000000, -0.0010308400000000 ] - [ -0.0056944800000000, 0.0000000000000000, -0.0007877400000000 ] - [ -0.0001700400000000, 0.0000000000000000, 0.0003966800000000 ] - [ -0.0001729800000000, 0.0000000000000000, 0.0003862100000000 ] - [ 0.0010591700000000, -0.0076897300000000, 0.0094990500000000 ] - [ 0.0010591700000000, 0.0076897300000000, 0.0094990500000000 ] - [ 0.0045271500000000, -0.0000229600000000, 0.0014367700000000 ] - [ 0.0045271500000000, 0.0000229600000000, 0.0014367700000000 ] - [ 0.0002454100000000, -0.0001667500000000, 0.0017864300000000 ] - [ 0.0002454100000000, 0.0001667500000000, 0.0017864300000000 ] - [ 0.0009768600000000, 0.0000000000000000, 0.0024735500000000 ] - [ 0.0009501800000000, 0.0000000000000000, 0.0021803300000000 ] - [ 0.0017305700000000, 0.0000000000000000, 0.0002225700000000 ] - [ 0.0017402700000000, 0.0000000000000000, 0.0002177600000000 ] - [ 0.0003893800000000, 0.0000000000000000, 0.0001931900000000 ] - [ 0.0003777200000000, 0.0000000000000000, 0.0001849100000000 ] - [ -0.0025492000000000, -0.0000549300000000, 0.0011637700000000 ] - [ -0.0025492000000000, 0.0000549300000000, 0.0011637700000000 ] - [ -0.0002710000000000, 0.0000000000000000, 0.0010088800000000 ] - [ -0.0002478200000000, 0.0000000000000000, 0.0009276000000000 ] - [ 0.0031932700000000, 0.0000082500000000, -0.0000930700000000 ] - [ 0.0031932700000000, -0.0000082500000000, -0.0000930700000000 ] - [ -0.0009059100000000, -0.0000486500000000, 0.0011689000000000 ] - [ -0.0009059100000000, 0.0000486500000000, 0.0011689000000000 ] - [ -0.0038796900000000, 0.0000000000000000, 0.0010088600000000 ] - [ -0.0038018800000000, 0.0000000000000000, 0.0009877600000000 ] - [ 0.0033361200000000, 0.0000000000000000, -0.0009075400000000 ] - [ 0.0033804100000000, 0.0000000000000000, -0.0009232400000000 ] - [ 0.0010766100000000, 0.0000389600000000, 0.0031766100000000 ] - [ 0.0010766100000000, -0.0000389600000000, 0.0031766100000000 ] - [ 0.0000000700000000, 0.0000000000000000, 0.0016626700000000 ] - [ 0.0000201800000000, 0.0000000000000000, 0.0016075900000000 ] - [ -0.0002606300000000, 0.0000420800000000, 0.0010877600000000 ] - [ -0.0002606300000000, -0.0000420800000000, 0.0010877600000000 ] - [ 0.0003797600000000, 0.0000000000000000, 0.0003250200000000 ] - [ 0.0003696800000000, 0.0000000000000000, 0.0003117900000000 ] - [ -0.0008414400000000, 0.0000000000000000, -0.0000557700000000 ] - [ -0.0008458700000000, 0.0000000000000000, -0.0000632300000000 ] - [ 0.0000750800000000, 0.0000000000000000, -0.0006640200000000 ] - [ -0.0000073300000000, 0.0000000000000000, -0.0009677800000000 ] - [ -0.0006859500000000, 0.0001603700000000, 0.0002122900000000 ] - [ -0.0006859500000000, -0.0001603700000000, 0.0002122900000000 ] - [ -0.0055818100000000, 0.0000296700000000, -0.0007478700000000 ] - [ -0.0055818100000000, -0.0000296700000000, -0.0007478700000000 ] - [ 0.0008948800000000, 0.0074721800000000, 0.0088617700000000 ] - [ 0.0008948800000000, -0.0074721800000000, 0.0088617700000000 ]- atom: 53 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0024998900000000, 0.0000000000000000, -0.0013917300000000 ] - [ 0.0024978000000000, 0.0000000000000000, -0.0013982400000000 ] - [ -0.0037821100000000, 0.0000000000000000, 0.0002055100000000 ] - [ -0.0037875300000000, 0.0000000000000000, 0.0002001200000000 ] - [ 0.0008920100000000, 0.0000288700000000, -0.0012669200000000 ] - [ 0.0008920100000000, -0.0000288700000000, -0.0012669200000000 ] - [ 0.0005526500000000, -0.0000918400000000, 0.0002524300000000 ] - [ 0.0005526500000000, 0.0000918400000000, 0.0002524300000000 ] - [ 0.0029932000000000, -0.0000475000000000, -0.0105283700000000 ] - [ 0.0029932000000000, 0.0000475000000000, -0.0105283700000000 ] - [ -0.0016559000000000, 0.0000000000000000, 0.0019107500000000 ] - [ -0.0016291900000000, 0.0000000000000000, 0.0017625900000000 ] - [ -0.0000517000000000, 0.0000000000000000, -0.0016267000000000 ] - [ -0.0000640600000000, 0.0000000000000000, -0.0016337400000000 ] - [ -0.0041894700000000, 0.0000000000000000, -0.0004277600000000 ] - [ -0.0041398900000000, 0.0000000000000000, -0.0004572600000000 ] - [ 0.0009694500000000, -0.0000351800000000, -0.0034717300000000 ] - [ 0.0009694500000000, 0.0000351800000000, -0.0034717300000000 ] - [ -0.0034958000000000, 0.0000000000000000, 0.0016573900000000 ] - [ -0.0034998400000000, 0.0000000000000000, 0.0016629300000000 ] - [ 0.0002099000000000, -0.0002462700000000, -0.0016381300000000 ] - [ 0.0002099000000000, 0.0002462700000000, -0.0016381300000000 ] - [ -0.0004092600000000, 0.0000000000000000, 0.0029013700000000 ] - [ -0.0004285500000000, 0.0000000000000000, 0.0028998300000000 ] - [ 0.0005932800000000, -0.0005582600000000, 0.0047337100000000 ] - [ 0.0005932800000000, 0.0005582600000000, 0.0047337100000000 ] - [ -0.0069162100000000, 0.0003021900000000, -0.0018941500000000 ] - [ -0.0069162100000000, -0.0003021900000000, -0.0018941500000000 ] - [ -0.0018506400000000, 0.0000000000000000, 0.0000572300000000 ] - [ -0.0017827800000000, 0.0000000000000000, -0.0001370600000000 ] - [ -0.0060234400000000, 0.0000756400000000, 0.0042289800000000 ] - [ -0.0060234400000000, -0.0000756400000000, 0.0042289800000000 ] - [ 0.0026173100000000, 0.0000000000000000, 0.0001200000000000 ] - [ 0.0026732000000000, 0.0000000000000000, 0.0000777800000000 ] - [ 0.0003561400000000, 0.0004938400000000, 0.0088621300000000 ] - [ 0.0003561400000000, -0.0004938400000000, 0.0088621300000000 ] - [ -0.0001453500000000, 0.0000000000000000, 0.0001771200000000 ] - [ -0.0001439100000000, 0.0000000000000000, 0.0001900700000000 ] - [ 0.0057096800000000, 0.0000000000000000, 0.0018771400000000 ] - [ 0.0056699700000000, 0.0000000000000000, 0.0016093800000000 ] - [ 0.0006787800000000, 0.0000000000000000, 0.0011106700000000 ] - [ 0.0006755500000000, 0.0000000000000000, 0.0011417500000000 ] - [ 0.0004878400000000, -0.0000043100000000, 0.0008698500000000 ] - [ 0.0004878400000000, 0.0000043100000000, 0.0008698500000000 ] - [ 0.0072894900000000, -0.0046397300000000, 0.0029937600000000 ] - [ 0.0072894900000000, 0.0046397300000000, 0.0029937600000000 ] - [ -0.0030255900000000, -0.0000536000000000, -0.0001844700000000 ] - [ -0.0030255900000000, 0.0000536000000000, -0.0001844700000000 ] - [ -0.0009355600000000, 0.0000000000000000, 0.0000583000000000 ] - [ -0.0009473500000000, 0.0000000000000000, 0.0000531900000000 ] - [ -0.0000808600000000, 0.0000638500000000, 0.0020108800000000 ] - [ -0.0000808600000000, -0.0000638500000000, 0.0020108800000000 ] - [ -0.0201184100000000, 0.0000000000000000, 0.0334033000000000 ] - [ 0.0061503000000000, 0.0000000000000000, -0.0062339400000000 ] - [ -0.0007173400000000, 0.0000000000000000, 0.0001356600000000 ] - [ -0.0006987400000000, 0.0000000000000000, 0.0001381100000000 ] - [ -0.0033915200000000, -0.0000136300000000, 0.0006328800000000 ] - [ -0.0033915200000000, 0.0000136300000000, 0.0006328800000000 ] - [ 0.0036972300000000, 0.0000007700000000, -0.0013446100000000 ] - [ 0.0036972300000000, -0.0000007700000000, -0.0013446100000000 ] - [ 0.0012545400000000, 0.0000000000000000, 0.0022455900000000 ] - [ 0.0012745000000000, 0.0000000000000000, 0.0022498100000000 ] - [ 0.0001277800000000, -0.0000822500000000, 0.0027740300000000 ] - [ 0.0001277800000000, 0.0000822500000000, 0.0027740300000000 ] - [ 0.0011949000000000, 0.0000000000000000, 0.0003163100000000 ] - [ 0.0011965000000000, 0.0000000000000000, 0.0003121400000000 ] - [ -0.0026096300000000, 0.0000341900000000, 0.0000350800000000 ] - [ -0.0026096300000000, -0.0000341900000000, 0.0000350800000000 ] - [ 0.0041718100000000, 0.0042590500000000, 0.0030183000000000 ] - [ 0.0041718100000000, -0.0042590500000000, 0.0030183000000000 ] - [ -0.0000248600000000, 0.0000022800000000, -0.0023679000000000 ] - [ -0.0000248600000000, -0.0000022800000000, -0.0023679000000000 ] - [ -0.0002657100000000, 0.0000000000000000, -0.0009656500000000 ] - [ -0.0002702700000000, 0.0000000000000000, -0.0009655500000000 ] - [ -0.0043251400000000, 0.0000000000000000, -0.0004172800000000 ] - [ -0.0043774100000000, 0.0000000000000000, -0.0006647200000000 ] - [ -0.0002275800000000, 0.0000000000000000, -0.0000224600000000 ] - [ -0.0002266900000000, 0.0000000000000000, -0.0000335200000000 ] - [ -0.0013194500000000, 0.0078140400000000, -0.0088185200000000 ] - [ -0.0013194500000000, -0.0078140400000000, -0.0088185200000000 ] - [ 0.0054179100000000, 0.0000214800000000, 0.0014696500000000 ] - [ 0.0054179100000000, -0.0000214800000000, 0.0014696500000000 ] - [ 0.0010017700000000, 0.0001690100000000, -0.0000726300000000 ] - [ 0.0010017700000000, -0.0001690100000000, -0.0000726300000000 ] - [ 0.0002644100000000, 0.0000000000000000, -0.0006435700000000 ] - [ 0.0002902300000000, 0.0000000000000000, -0.0003696200000000 ] - [ 0.0023959000000000, 0.0000000000000000, 0.0000349700000000 ] - [ 0.0024066800000000, 0.0000000000000000, 0.0000398600000000 ] - [ -0.0001434900000000, 0.0000000000000000, -0.0002261000000000 ] - [ -0.0001055800000000, 0.0000000000000000, -0.0002185000000000 ] - [ 0.0012046100000000, 0.0000557200000000, -0.0010621000000000 ] - [ 0.0012046100000000, -0.0000557200000000, -0.0010621000000000 ] - [ 0.0001265900000000, 0.0000000000000000, -0.0011364900000000 ] - [ 0.0001032300000000, 0.0000000000000000, -0.0010554500000000 ] - [ 0.0033124700000000, 0.0000193500000000, -0.0002071900000000 ] - [ 0.0033124700000000, -0.0000193500000000, -0.0002071900000000 ] - [ 0.0001608700000000, 0.0000620100000000, -0.0009080300000000 ] - [ 0.0001608700000000, -0.0000620100000000, -0.0009080300000000 ] - [ -0.0022403300000000, 0.0000000000000000, 0.0001335600000000 ] - [ -0.0023196300000000, 0.0000000000000000, 0.0001549700000000 ] - [ 0.0045646700000000, 0.0000000000000000, -0.0018799300000000 ] - [ 0.0045110100000000, 0.0000000000000000, -0.0018644800000000 ] - [ 0.0019678700000000, -0.0000385900000000, 0.0013478600000000 ] - [ 0.0019678700000000, 0.0000385900000000, 0.0013478600000000 ] - [ 0.0004182600000000, 0.0000000000000000, -0.0005803500000000 ] - [ 0.0003952600000000, 0.0000000000000000, -0.0004833400000000 ] - [ 0.0032221700000000, -0.0000417000000000, -0.0004336300000000 ] - [ 0.0032221700000000, 0.0000417000000000, -0.0004336300000000 ] - [ 0.0001226900000000, 0.0000000000000000, -0.0001709800000000 ] - [ 0.0001321600000000, 0.0000000000000000, -0.0001581200000000 ] - [ -0.0001308100000000, 0.0000000000000000, -0.0002039600000000 ] - [ -0.0001504600000000, 0.0000000000000000, -0.0001997300000000 ] - [ 0.0001018800000000, 0.0000000000000000, -0.0040343900000000 ] - [ 0.0001845100000000, 0.0000000000000000, -0.0037202400000000 ] - [ 0.0000813300000000, -0.0001588900000000, -0.0026635500000000 ] - [ 0.0000813300000000, 0.0001588900000000, -0.0026635500000000 ] - [ -0.0044727400000000, -0.0000324400000000, -0.0007034500000000 ] - [ -0.0044727400000000, 0.0000324400000000, -0.0007034500000000 ] - [ -0.0012724200000000, -0.0073532300000000, -0.0084224300000000 ] - [ -0.0012724200000000, 0.0073532300000000, -0.0084224300000000 ]- atom: 55 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0013427600000000, 0.0000000000000000, -0.0074232200000000 ] - [ 0.0032267200000000, 0.0000000000000000, -0.0025080400000000 ] - [ -0.0040287600000000, 0.0000000000000000, 0.0033685400000000 ] - [ -0.0031442900000000, 0.0000000000000000, 0.0021975800000000 ] - [ 0.0214288300000000, 0.0009696800000000, 0.0011796100000000 ] - [ 0.0214288300000000, -0.0009696800000000, 0.0011796100000000 ] - [ 0.0008056000000000, 0.0002041600000000, -0.0017147500000000 ] - [ 0.0008056000000000, -0.0002041600000000, -0.0017147500000000 ] - [ -0.0054441300000000, 0.0000397900000000, -0.0028337900000000 ] - [ -0.0054441300000000, -0.0000397900000000, -0.0028337900000000 ] - [ -0.0044074700000000, 0.0000000000000000, -0.0005836800000000 ] - [ -0.0035807500000000, 0.0000000000000000, -0.0005322100000000 ] - [ 0.0151783200000000, 0.0000000000000000, 0.0054518200000000 ] - [ 0.0040824200000000, 0.0000000000000000, 0.0010193800000000 ] - [ 0.0003215400000000, 0.0000000000000000, 0.0127404000000000 ] - [ -0.0006306200000000, 0.0000000000000000, 0.0042201500000000 ] - [ -0.0039552000000000, -0.0013093800000000, -0.0041689500000000 ] - [ -0.0039552000000000, 0.0013093800000000, -0.0041689500000000 ] - [ 0.0027993100000000, 0.0000000000000000, -0.0085956400000000 ] - [ 0.0027183600000000, 0.0000000000000000, 0.0027908500000000 ] - [ 0.0053911200000000, -0.0002713800000000, -0.0053607400000000 ] - [ 0.0053911200000000, 0.0002713800000000, -0.0053607400000000 ] - [ -0.0111246500000000, 0.0000000000000000, 0.0043955000000000 ] - [ -0.0031619500000000, 0.0000000000000000, 0.0034246900000000 ] - [ -0.0033396600000000, -0.0000686400000000, -0.0029926400000000 ] - [ -0.0033396600000000, 0.0000686400000000, -0.0029926400000000 ] - [ -0.0055366500000000, -0.0001137000000000, -0.0030118400000000 ] - [ -0.0055366500000000, 0.0001137000000000, -0.0030118400000000 ] - [ -0.0057110800000000, 0.0000000000000000, 0.0027247400000000 ] - [ -0.0012293900000000, 0.0000000000000000, 0.0012637400000000 ] - [ -0.0069027000000000, -0.0000501800000000, 0.0005002500000000 ] - [ -0.0069027000000000, 0.0000501800000000, 0.0005002500000000 ] - [ 0.0026215600000000, 0.0000000000000000, -0.0027510300000000 ] - [ 0.0031325900000000, 0.0000000000000000, -0.0015431800000000 ] - [ -0.0093171300000000, 0.0004156200000000, 0.0021128000000000 ] - [ -0.0093171300000000, -0.0004156200000000, 0.0021128000000000 ] - [ 0.0000979700000000, 0.0000000000000000, -0.0041740700000000 ] - [ -0.0005819500000000, 0.0000000000000000, -0.0020738900000000 ] - [ 0.0056791600000000, 0.0000000000000000, 0.0018729100000000 ] - [ 0.0055117500000000, 0.0000000000000000, 0.0018281100000000 ] - [ 0.0010174400000000, 0.0000000000000000, 0.0048607300000000 ] - [ 0.0005724000000000, 0.0000000000000000, 0.0023604300000000 ] - [ -0.0034952000000000, -0.0020074000000000, -0.0024433800000000 ] - [ -0.0034952000000000, 0.0020074000000000, -0.0024433800000000 ] - [ 0.0040708600000000, 0.0000016700000000, 0.0004616000000000 ] - [ 0.0040708600000000, -0.0000016700000000, 0.0004616000000000 ] - [ 0.0083833700000000, -0.0063355400000000, 0.0011353300000000 ] - [ 0.0083833700000000, 0.0063355400000000, 0.0011353300000000 ] - [ 0.0073028700000000, 0.0000000000000000, 0.0137987700000000 ] - [ -0.0041386300000000, 0.0000000000000000, 0.0010984000000000 ] - [ 0.0002854700000000, 0.0000979700000000, 0.0019032500000000 ] - [ 0.0002854700000000, -0.0000979700000000, 0.0019032500000000 ] - [ 0.0036557200000000, 0.0000000000000000, 0.0004854100000000 ] - [ 0.0036381100000000, 0.0000000000000000, 0.0004540400000000 ] - [ -0.0994926500000000, 0.0000000000000000, -0.0022025900000000 ] - [ -0.0082534200000000, 0.0000000000000000, -0.0041098200000000 ] - [ -0.0021134500000000, 0.0017329400000000, 0.0013384100000000 ] - [ -0.0021134500000000, -0.0017329400000000, 0.0013384100000000 ] - [ 0.0087557300000000, 0.0229180900000000, -0.0025322300000000 ] - [ 0.0087557300000000, -0.0229180900000000, -0.0025322300000000 ] - [ 0.0041666400000000, 0.0000000000000000, 0.0038435700000000 ] - [ 0.0018485000000000, 0.0000000000000000, 0.0024892600000000 ] - [ -0.0021397300000000, -0.0013452800000000, 0.0082176400000000 ] - [ -0.0021397300000000, 0.0013452800000000, 0.0082176400000000 ] - [ 0.0253552200000000, 0.0000000000000000, 0.0108888400000000 ] - [ 0.0018663200000000, 0.0000000000000000, 0.0002308400000000 ] - [ 0.0026866300000000, 0.0001162200000000, 0.0002294300000000 ] - [ 0.0026866300000000, -0.0001162200000000, 0.0002294300000000 ] - [ 0.0000278900000000, -0.0000617800000000, 0.0005485500000000 ] - [ 0.0000278900000000, 0.0000617800000000, 0.0005485500000000 ] - [ 0.0011342300000000, 0.0014077800000000, -0.0019207600000000 ] - [ 0.0011342300000000, -0.0014077800000000, -0.0019207600000000 ] - [ 0.0016284000000000, 0.0000000000000000, -0.0185808200000000 ] - [ -0.0007695300000000, 0.0000000000000000, -0.0060669900000000 ] - [ -0.0074201000000000, 0.0000000000000000, -0.0003591300000000 ] - [ -0.0065580300000000, 0.0000000000000000, 0.0000727600000000 ] - [ 0.0005714000000000, 0.0000000000000000, -0.0022233800000000 ] - [ -0.0000617900000000, 0.0000000000000000, -0.0008508100000000 ] - [ 0.0002405500000000, 0.0000010800000000, 0.0018775500000000 ] - [ 0.0002405500000000, -0.0000010800000000, 0.0018775500000000 ] - [ 0.0032711500000000, 0.0010045400000000, 0.0004417100000000 ] - [ 0.0032711500000000, -0.0010045400000000, 0.0004417100000000 ] - [ 0.0005027000000000, 0.0000147100000000, 0.0018522400000000 ] - [ 0.0005027000000000, -0.0000147100000000, 0.0018522400000000 ] - [ 0.0012353000000000, 0.0000000000000000, 0.0013334900000000 ] - [ 0.0011839600000000, 0.0000000000000000, 0.0012319100000000 ] - [ 0.0026738600000000, 0.0000000000000000, -0.0014850500000000 ] - [ 0.0012866000000000, 0.0000000000000000, -0.0004034100000000 ] - [ 0.0042396800000000, 0.0000000000000000, 0.0004710800000000 ] - [ 0.0024824000000000, 0.0000000000000000, 0.0000284900000000 ] - [ 0.0010664900000000, -0.0000059100000000, 0.0003342700000000 ] - [ 0.0010664900000000, 0.0000059100000000, 0.0003342700000000 ] - [ -0.0001218500000000, 0.0000000000000000, -0.0055841300000000 ] - [ -0.0003109800000000, 0.0000000000000000, -0.0030687400000000 ] - [ 0.0032222900000000, 0.0003505400000000, -0.0007906400000000 ] - [ 0.0032222900000000, -0.0003505400000000, -0.0007906400000000 ] - [ 0.0006943500000000, 0.0001444700000000, 0.0004536100000000 ] - [ 0.0006943500000000, -0.0001444700000000, 0.0004536100000000 ] - [ -0.0022555000000000, 0.0000000000000000, 0.0003161300000000 ] - [ -0.0027644000000000, 0.0000000000000000, 0.0003867500000000 ] - [ 0.0049349500000000, 0.0000000000000000, -0.0012481100000000 ] - [ 0.0048005000000000, 0.0000000000000000, -0.0012746600000000 ] - [ 0.0020824000000000, -0.0005222600000000, 0.0015310100000000 ] - [ 0.0020824000000000, 0.0005222600000000, 0.0015310100000000 ] - [ 0.0006398200000000, 0.0000000000000000, 0.0010973800000000 ] - [ 0.0004879000000000, 0.0000000000000000, 0.0010545800000000 ] - [ 0.0046339800000000, -0.0000311600000000, 0.0003661200000000 ] - [ 0.0046339800000000, 0.0000311600000000, 0.0003661200000000 ] - [ 0.0040433200000000, 0.0000000000000000, -0.0059132800000000 ] - [ -0.0007909200000000, 0.0000000000000000, -0.0006296300000000 ] - [ -0.0005504000000000, 0.0000000000000000, -0.0001206600000000 ] - [ -0.0006926000000000, 0.0000000000000000, -0.0002038400000000 ] - [ 0.0016726500000000, 0.0000000000000000, -0.0035319700000000 ] - [ 0.0013385300000000, 0.0000000000000000, -0.0037606200000000 ] - [ -0.0000001500000000, 0.0000153200000000, 0.0001550900000000 ] - [ -0.0000001500000000, -0.0000153200000000, 0.0001550900000000 ] - [ -0.0043784100000000, 0.0003304300000000, -0.0004060600000000 ] - [ -0.0043784100000000, -0.0003304300000000, -0.0004060600000000 ] - [ 0.0004949200000000, -0.0000316400000000, 0.0025379500000000 ] - [ 0.0004949200000000, 0.0000316400000000, 0.0025379500000000 ]- atom: 55 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0057382500000000, 0.0000000000000000, 0.0049925700000000 ] - [ 0.0011844100000000, 0.0000000000000000, 0.0001309800000000 ] - [ -0.0030316300000000, 0.0000000000000000, -0.0033865700000000 ] - [ -0.0038851600000000, 0.0000000000000000, -0.0022717400000000 ] - [ -0.0239073800000000, -0.0008566900000000, -0.0012418200000000 ] - [ -0.0239073800000000, 0.0008566900000000, -0.0012418200000000 ] - [ 0.0035697300000000, -0.0002060000000000, -0.0006605500000000 ] - [ 0.0035697300000000, 0.0002060000000000, -0.0006605500000000 ] - [ -0.0016060400000000, -0.0000371900000000, 0.0027125100000000 ] - [ -0.0016060400000000, 0.0000371900000000, 0.0027125100000000 ] - [ 0.0016968600000000, 0.0000000000000000, 0.0005207900000000 ] - [ 0.0008746600000000, 0.0000000000000000, 0.0004573400000000 ] - [ -0.0161480100000000, 0.0000000000000000, -0.0088524300000000 ] - [ -0.0051053700000000, 0.0000000000000000, -0.0046566200000000 ] - [ -0.0068667600000000, 0.0000000000000000, -0.0141637900000000 ] - [ -0.0059283700000000, 0.0000000000000000, -0.0057877700000000 ] - [ 0.0015675600000000, 0.0012973100000000, -0.0002551700000000 ] - [ 0.0015675600000000, -0.0012973100000000, -0.0002551700000000 ] - [ -0.0082017500000000, 0.0000000000000000, 0.0116751500000000 ] - [ -0.0104588500000000, 0.0000000000000000, 0.0009349500000000 ] - [ 0.0018261600000000, 0.0002655000000000, 0.0047176900000000 ] - [ 0.0018261600000000, -0.0002655000000000, 0.0047176900000000 ] - [ 0.0092120200000000, 0.0000000000000000, 0.0010185100000000 ] - [ 0.0013692400000000, 0.0000000000000000, 0.0019765700000000 ] - [ 0.0022777500000000, 0.0000661400000000, -0.0006804100000000 ] - [ 0.0022777500000000, -0.0000661400000000, -0.0006804100000000 ] - [ -0.0010467000000000, 0.0001127300000000, 0.0014051100000000 ] - [ -0.0010467000000000, -0.0001127300000000, 0.0014051100000000 ] - [ 0.0033080500000000, 0.0000000000000000, -0.0071200200000000 ] - [ -0.0011701300000000, 0.0000000000000000, -0.0056634200000000 ] - [ -0.0009317000000000, 0.0000457900000000, 0.0032251200000000 ] - [ -0.0009317000000000, -0.0000457900000000, 0.0032251200000000 ] - [ 0.0045858900000000, 0.0000000000000000, 0.0021859500000000 ] - [ 0.0040779100000000, 0.0000000000000000, 0.0009685300000000 ] - [ 0.0075317400000000, -0.0004056900000000, 0.0032787600000000 ] - [ 0.0075317400000000, 0.0004056900000000, 0.0032787600000000 ] - [ -0.0003615800000000, 0.0000000000000000, 0.0047290200000000 ] - [ 0.0003381700000000, 0.0000000000000000, 0.0027962400000000 ] - [ 0.0042769200000000, 0.0000000000000000, 0.0010354900000000 ] - [ 0.0044441900000000, 0.0000000000000000, 0.0010802700000000 ] - [ 0.0002358500000000, 0.0000000000000000, -0.0031639000000000 ] - [ 0.0006760700000000, 0.0000000000000000, -0.0006469900000000 ] - [ 0.0047493700000000, 0.0018973200000000, 0.0041849800000000 ] - [ 0.0047493700000000, -0.0018973200000000, 0.0041849800000000 ] - [ 0.0000729400000000, -0.0000022000000000, -0.0002028700000000 ] - [ 0.0000729400000000, 0.0000022000000000, -0.0002028700000000 ] - [ -0.0081774800000000, 0.0064135800000000, -0.0011735600000000 ] - [ -0.0081774800000000, -0.0064135800000000, -0.0011735600000000 ] - [ -0.0085885900000000, 0.0000000000000000, -0.0134900500000000 ] - [ 0.0027269000000000, 0.0000000000000000, -0.0009907900000000 ] - [ -0.0004237400000000, -0.0000967600000000, -0.0020329000000000 ] - [ -0.0004237400000000, 0.0000967600000000, -0.0020329000000000 ] - [ 0.0028491500000000, 0.0000000000000000, -0.0007844300000000 ] - [ 0.0028668300000000, 0.0000000000000000, -0.0007534400000000 ] - [ 0.0955062700000000, 0.0000000000000000, 0.0028313200000000 ] - [ 0.0074126700000000, 0.0000000000000000, 0.0043587400000000 ] - [ -0.0040061400000000, -0.0017358200000000, -0.0001921100000000 ] - [ -0.0040061400000000, 0.0017358200000000, -0.0001921100000000 ] - [ -0.0008460200000000, -0.0225781400000000, -0.0002571400000000 ] - [ -0.0008460200000000, 0.0225781400000000, -0.0002571400000000 ] - [ -0.0011044300000000, 0.0000000000000000, 0.0006958300000000 ] - [ 0.0011974500000000, 0.0000000000000000, 0.0020346100000000 ] - [ 0.0025705700000000, 0.0013005400000000, -0.0070040700000000 ] - [ 0.0025705700000000, -0.0013005400000000, -0.0070040700000000 ] - [ -0.0219096400000000, 0.0000000000000000, -0.0100006400000000 ] - [ 0.0010922900000000, 0.0000000000000000, 0.0004183200000000 ] - [ -0.0021747500000000, -0.0001151500000000, -0.0000726900000000 ] - [ -0.0021747500000000, 0.0001151500000000, -0.0000726900000000 ] - [ -0.0009956500000000, 0.0000621800000000, -0.0008048500000000 ] - [ -0.0009956500000000, -0.0000621800000000, -0.0008048500000000 ] - [ -0.0009475300000000, -0.0013894600000000, -0.0027689300000000 ] - [ -0.0009475300000000, 0.0013894600000000, -0.0027689300000000 ] - [ -0.0021969600000000, 0.0000000000000000, 0.0158376200000000 ] - [ 0.0001629700000000, 0.0000000000000000, 0.0036138300000000 ] - [ -0.0026664600000000, 0.0000000000000000, -0.0010837400000000 ] - [ -0.0035181700000000, 0.0000000000000000, -0.0015110800000000 ] - [ -0.0009658100000000, 0.0000000000000000, 0.0025591500000000 ] - [ -0.0003431300000000, 0.0000000000000000, 0.0011980500000000 ] - [ -0.0004774200000000, -0.0000016700000000, -0.0011139200000000 ] - [ -0.0004774200000000, 0.0000016700000000, -0.0011139200000000 ] - [ 0.0066660000000000, -0.0009859300000000, 0.0024569800000000 ] - [ 0.0066660000000000, 0.0009859300000000, 0.0024569800000000 ] - [ 0.0007464800000000, -0.0000140600000000, -0.0001436700000000 ] - [ 0.0007464800000000, 0.0000140600000000, -0.0001436700000000 ] - [ 0.0000115400000000, 0.0000000000000000, 0.0004949900000000 ] - [ 0.0000619500000000, 0.0000000000000000, 0.0005902500000000 ] - [ 0.0014889500000000, 0.0000000000000000, 0.0017159800000000 ] - [ 0.0028529200000000, 0.0000000000000000, 0.0006549000000000 ] - [ -0.0039481100000000, 0.0000000000000000, -0.0004945100000000 ] - [ -0.0021874700000000, 0.0000000000000000, -0.0000603900000000 ] - [ -0.0024057000000000, 0.0000061100000000, -0.0002265500000000 ] - [ -0.0024057000000000, -0.0000061100000000, -0.0002265500000000 ] - [ -0.0000208100000000, 0.0000000000000000, 0.0054052500000000 ] - [ 0.0001705300000000, 0.0000000000000000, 0.0029094200000000 ] - [ 0.0032771800000000, -0.0003155000000000, 0.0004772100000000 ] - [ 0.0032771800000000, 0.0003155000000000, 0.0004772100000000 ] - [ -0.0014311400000000, -0.0001301600000000, -0.0001850500000000 ] - [ -0.0014311400000000, 0.0001301600000000, -0.0001850500000000 ] - [ -0.0038605600000000, 0.0000000000000000, 0.0008249300000000 ] - [ -0.0033509600000000, 0.0000000000000000, 0.0007533200000000 ] - [ 0.0029709000000000, 0.0000000000000000, -0.0015386000000000 ] - [ 0.0030963400000000, 0.0000000000000000, -0.0015123700000000 ] - [ 0.0009650100000000, 0.0005239000000000, 0.0029911600000000 ] - [ 0.0009650100000000, -0.0005239000000000, 0.0029911600000000 ] - [ -0.0002201200000000, 0.0000000000000000, -0.0000077300000000 ] - [ -0.0000721100000000, 0.0000000000000000, 0.0000851800000000 ] - [ -0.0016504100000000, 0.0000305200000000, 0.0002896000000000 ] - [ -0.0016504100000000, -0.0000305200000000, 0.0002896000000000 ] - [ -0.0035372800000000, 0.0000000000000000, 0.0061062200000000 ] - [ 0.0013219400000000, 0.0000000000000000, 0.0007823900000000 ] - [ -0.0004301900000000, 0.0000000000000000, -0.0001458400000000 ] - [ -0.0003067100000000, 0.0000000000000000, -0.0000609000000000 ] - [ -0.0014902100000000, 0.0000000000000000, -0.0011535700000000 ] - [ -0.0011622500000000, 0.0000000000000000, -0.0009282400000000 ] - [ -0.0006007300000000, -0.0000153600000000, -0.0025786600000000 ] - [ -0.0006007300000000, 0.0000153600000000, -0.0025786600000000 ] - [ -0.0056797500000000, -0.0003306300000000, -0.0010426000000000 ] - [ -0.0056797500000000, 0.0003306300000000, -0.0010426000000000 ] - [ -0.0008974700000000, 0.0000305600000000, -0.0021731600000000 ] - [ -0.0008974700000000, -0.0000305600000000, -0.0021731600000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022560100000000, 0.0003762900000000, -0.0011292000000000 ] - [ 0.0021887200000000, -0.0003907900000000, -0.0011838500000000 ] - [ -0.0035112900000000, 0.0002923400000000, -0.0000135900000000 ] - [ -0.0035182000000000, -0.0001979400000000, -0.0000638400000000 ] - [ -0.0078212200000000, 0.0274478000000000, -0.0050877700000000 ] - [ 0.0041190200000000, 0.0237227300000000, 0.0043384300000000 ] - [ 0.0022347600000000, 0.0000059200000000, -0.0004072300000000 ] - [ 0.0021627700000000, -0.0000035300000000, -0.0019236900000000 ] - [ -0.0017022600000000, 0.0000002700000000, 0.0015073400000000 ] - [ -0.0052391200000000, 0.0000013500000000, -0.0015601100000000 ] - [ -0.0013166900000000, 0.0001491200000000, -0.0000200400000000 ] - [ -0.0013238900000000, -0.0001489200000000, -0.0000221000000000 ] - [ -0.0005792100000000, 0.0165918400000000, -0.0015036700000000 ] - [ -0.0005566200000000, -0.0138566200000000, -0.0018707900000000 ] - [ -0.0033657100000000, 0.0014830500000000, -0.0008834000000000 ] - [ -0.0033518900000000, -0.0015507900000000, -0.0008121500000000 ] - [ -0.0011756900000000, 0.0000146800000000, -0.0021542800000000 ] - [ -0.0011352700000000, -0.0000135600000000, -0.0022268200000000 ] - [ -0.0035281900000000, 0.0214450200000000, 0.0018758400000000 ] - [ -0.0039514500000000, -0.0178174400000000, 0.0018366900000000 ] - [ 0.0029872100000000, 0.0000975000000000, 0.0153709000000000 ] - [ 0.0042014300000000, 0.0000759300000000, -0.0156761600000000 ] - [ -0.0007990700000000, 0.0001761300000000, 0.0027008400000000 ] - [ -0.0008786300000000, -0.0001876500000000, 0.0027052700000000 ] - [ -0.0002414900000000, 0.0000029900000000, -0.0015485900000000 ] - [ -0.0007368700000000, 0.0000014400000000, -0.0020971500000000 ] - [ -0.0028989100000000, 0.0000023300000000, -0.0006101500000000 ] - [ -0.0036388600000000, -0.0000009200000000, -0.0009363600000000 ] - [ -0.0012670200000000, 0.0012307300000000, -0.0022393800000000 ] - [ -0.0012094100000000, -0.0011723500000000, -0.0022411700000000 ] - [ -0.0031373500000000, 0.0000017900000000, 0.0021384100000000 ] - [ -0.0046160100000000, -0.0000002700000000, 0.0016323400000000 ] - [ 0.0036343500000000, 0.0000831500000000, -0.0002492100000000 ] - [ 0.0036213600000000, -0.0000846800000000, -0.0002667600000000 ] - [ 0.0126985100000000, 0.0001232500000000, 0.0019577400000000 ] - [ -0.0142691000000000, 0.0001110800000000, 0.0034454400000000 ] - [ -0.0001243900000000, -0.0004163000000000, 0.0002183500000000 ] - [ -0.0001113200000000, 0.0006789400000000, 0.0004046300000000 ] - [ 0.0049671300000000, -0.0001817200000000, 0.0014483600000000 ] - [ 0.0049711300000000, 0.0001823300000000, 0.0014485100000000 ] - [ 0.0006176900000000, -0.0000206100000000, 0.0008078500000000 ] - [ 0.0006236500000000, 0.0000372000000000, 0.0008449400000000 ] - [ 0.0007568000000000, 0.0174252000000000, 0.0184269300000000 ] - [ 0.0004988400000000, 0.0173937500000000, -0.0163426000000000 ] - [ 0.0015487100000000, -0.0000006400000000, -0.0000076000000000 ] - [ 0.0025334600000000, 0.0000001700000000, 0.0002557700000000 ] - [ -0.0242351300000000, 0.0020833800000000, 0.0003612200000000 ] - [ 0.0241136600000000, 0.0020929200000000, -0.0003686000000000 ] - [ -0.0007891900000000, -0.0026902600000000, -0.0000458100000000 ] - [ -0.0006657000000000, 0.0012635300000000, 0.0000562600000000 ] - [ -0.0000916700000000, -0.0000008100000000, -0.0001651900000000 ] - [ -0.0000601000000000, 0.0000013600000000, -0.0000073100000000 ] - [ 0.0032434500000000, -0.0011162300000000, -0.0001569500000000 ] - [ 0.0032430200000000, 0.0011086000000000, -0.0001572900000000 ] - [ 0.0003329400000000, -0.1862618000000000, 0.0007894100000000 ] - [ -0.0003031800000000, 0.0333043600000000, 0.0001712600000000 ] - [ -0.0029937400000000, -0.0000013400000000, 0.0006729900000000 ] - [ -0.0031498200000000, 0.0000504600000000, 0.0004578000000000 ] - [ 0.0261371500000000, 0.0243442300000000, -0.0031094700000000 ] - [ -0.0178752500000000, 0.0242811400000000, 0.0003034900000000 ] - [ 0.0014954600000000, -0.0001151100000000, 0.0022457200000000 ] - [ 0.0015239200000000, 0.0001027800000000, 0.0022594300000000 ] - [ -0.0000198600000000, 0.0038100100000000, -0.0259337200000000 ] - [ 0.0004798600000000, 0.0038285500000000, 0.0265303700000000 ] - [ 0.0013006000000000, 0.0000446400000000, 0.0002482600000000 ] - [ 0.0015013100000000, 0.0008627300000000, 0.0003297700000000 ] - [ 0.0001359700000000, -0.0000006500000000, 0.0000673600000000 ] - [ 0.0003068000000000, 0.0000020300000000, 0.0000852700000000 ] - [ -0.0027327200000000, -0.0000963800000000, -0.0013942500000000 ] - [ 0.0016918200000000, -0.0000922100000000, 0.0011103700000000 ] - [ 0.0001261800000000, 0.0000318400000000, -0.0023847600000000 ] - [ 0.0000350500000000, 0.0000657100000000, -0.0023233200000000 ] - [ -0.0003202100000000, -0.0013661400000000, -0.0010847900000000 ] - [ -0.0002951300000000, 0.0014159200000000, -0.0011936200000000 ] - [ -0.0049972600000000, -0.0062311100000000, -0.0007426600000000 ] - [ -0.0050049200000000, 0.0061960200000000, -0.0007465100000000 ] - [ -0.0002067800000000, -0.0000247100000000, 0.0001829600000000 ] - [ -0.0002024200000000, 0.0000316800000000, 0.0001748200000000 ] - [ -0.0002682600000000, 0.0000003000000000, -0.0000886900000000 ] - [ 0.0000265100000000, 0.0000010600000000, 0.0008128900000000 ] - [ 0.0059243200000000, 0.0000693100000000, 0.0008762700000000 ] - [ 0.0040862400000000, 0.0001023000000000, 0.0020352300000000 ] - [ 0.0009726800000000, 0.0000603900000000, -0.0017284000000000 ] - [ 0.0002826500000000, 0.0000612300000000, 0.0033479600000000 ] - [ 0.0006172200000000, -0.0002217100000000, 0.0009128400000000 ] - [ 0.0006175300000000, 0.0002187100000000, 0.0009102300000000 ] - [ 0.0020834000000000, -0.0000539400000000, 0.0001332900000000 ] - [ 0.0021011700000000, 0.0000657600000000, 0.0001276100000000 ] - [ 0.0000862300000000, -0.0000144300000000, -0.0000215600000000 ] - [ 0.0001119300000000, 0.0000319300000000, -0.0000165800000000 ] - [ -0.0010323800000000, -0.0000039200000000, -0.0000217000000000 ] - [ -0.0003596600000000, -0.0000033100000000, 0.0001146400000000 ] - [ -0.0000597600000000, -0.0001572800000000, -0.0000521400000000 ] - [ -0.0000660600000000, 0.0001884400000000, -0.0000513400000000 ] - [ 0.0032554900000000, 0.0000299000000000, -0.0000884300000000 ] - [ 0.0032449200000000, 0.0000430500000000, -0.0002175600000000 ] - [ -0.0005183400000000, 0.0000035900000000, 0.0000979600000000 ] - [ -0.0002463900000000, -0.0000014600000000, 0.0001601200000000 ] - [ -0.0030427400000000, -0.0006760000000000, 0.0005707700000000 ] - [ -0.0030546000000000, 0.0006682800000000, 0.0005709100000000 ] - [ 0.0039438300000000, -0.0003338900000000, -0.0013951900000000 ] - [ 0.0039407100000000, 0.0003397300000000, -0.0013950800000000 ] - [ 0.0012530400000000, 0.0000149300000000, 0.0027289200000000 ] - [ 0.0018054100000000, 0.0000329300000000, 0.0018151900000000 ] - [ 0.0002043200000000, -0.0000212700000000, 0.0005283500000000 ] - [ 0.0002053200000000, 0.0000224300000000, 0.0005458000000000 ] - [ 0.0000019600000000, 0.0000361400000000, 0.0007018300000000 ] - [ 0.0028923700000000, 0.0000365500000000, -0.0000530200000000 ] - [ 0.0003515900000000, -0.0014540800000000, 0.0000563800000000 ] - [ 0.0002806500000000, 0.0010805700000000, 0.0000852700000000 ] - [ -0.0005103800000000, -0.0000128400000000, -0.0001335100000000 ] - [ -0.0005086900000000, 0.0000134900000000, -0.0001310900000000 ] - [ 0.0000763400000000, -0.0064634200000000, -0.0023249400000000 ] - [ 0.0000749500000000, 0.0063394300000000, -0.0023284200000000 ] - [ -0.0003692900000000, 0.0000011100000000, -0.0014292300000000 ] - [ -0.0002429800000000, 0.0000019500000000, -0.0010316200000000 ] - [ -0.0051114000000000, -0.0000062700000000, -0.0007382600000000 ] - [ -0.0049721700000000, 0.0000068900000000, -0.0007211800000000 ] - [ -0.0009834000000000, -0.0000420300000000, -0.0018160800000000 ] - [ 0.0005652200000000, -0.0000392800000000, 0.0021321000000000 ]- atom: 55 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0013913900000000, 0.0000000000000000, 0.0023236700000000 ] - [ 0.0009274200000000, 0.0000000000000000, 0.0000013400000000 ] - [ -0.0013441800000000, 0.0000000000000000, -0.0089192700000000 ] - [ -0.0026745900000000, 0.0000000000000000, -0.0029408300000000 ] - [ -0.0114242500000000, -0.0023215000000000, 0.0187297200000000 ] - [ -0.0114242500000000, 0.0023215000000000, 0.0187297200000000 ] - [ 0.0032289800000000, -0.0003846700000000, -0.0021787400000000 ] - [ 0.0032289800000000, 0.0003846700000000, -0.0021787400000000 ] - [ -0.0043827900000000, 0.0000000100000000, 0.0003733800000000 ] - [ -0.0043827900000000, -0.0000000100000000, 0.0003733800000000 ] - [ -0.0000725600000000, 0.0000000000000000, -0.0006378100000000 ] - [ -0.0005626300000000, 0.0000000000000000, -0.0004315900000000 ] - [ -0.0090367400000000, 0.0000000000000000, -0.0175640100000000 ] - [ -0.0022198900000000, 0.0000000000000000, 0.0003050900000000 ] - [ -0.0013625300000000, 0.0000000000000000, -0.0119132200000000 ] - [ -0.0017024600000000, 0.0000000000000000, -0.0051016100000000 ] - [ -0.0010474900000000, 0.0003866900000000, -0.0012259800000000 ] - [ -0.0010474900000000, -0.0003866900000000, -0.0012259800000000 ] - [ -0.0035750100000000, 0.0000000000000000, 0.0238024200000000 ] - [ -0.0042770700000000, 0.0000000000000000, 0.0038822100000000 ] - [ 0.0026779500000000, 0.0003102000000000, -0.0042266300000000 ] - [ 0.0026779500000000, -0.0003102000000000, -0.0042266300000000 ] - [ 0.0057337000000000, 0.0000000000000000, 0.0008121200000000 ] - [ 0.0008887100000000, 0.0000000000000000, 0.0017527600000000 ] - [ 0.0000505400000000, 0.0000226800000000, -0.0019554000000000 ] - [ 0.0000505400000000, -0.0000226800000000, -0.0019554000000000 ] - [ -0.0035661900000000, -0.0000281000000000, -0.0003077500000000 ] - [ -0.0035661900000000, 0.0000281000000000, -0.0003077500000000 ] - [ 0.0082654800000000, 0.0000000000000000, -0.0046919500000000 ] - [ 0.0017169300000000, 0.0000000000000000, -0.0034896100000000 ] - [ -0.0032892800000000, -0.0000032500000000, 0.0020798600000000 ] - [ -0.0032892800000000, 0.0000032500000000, 0.0020798600000000 ] - [ 0.0020878100000000, 0.0000000000000000, -0.0008852900000000 ] - [ 0.0027357700000000, 0.0000000000000000, -0.0005054900000000 ] - [ 0.0000621600000000, -0.0003708900000000, 0.0038409900000000 ] - [ 0.0000621600000000, 0.0003708900000000, 0.0038409900000000 ] - [ 0.0010625300000000, 0.0000000000000000, 0.0229946800000000 ] - [ -0.0000203800000000, 0.0000000000000000, 0.0024354500000000 ] - [ 0.0051857200000000, 0.0000000000000000, 0.0014180300000000 ] - [ 0.0051262600000000, 0.0000000000000000, 0.0013963200000000 ] - [ 0.0008926300000000, 0.0000000000000000, 0.0001285500000000 ] - [ 0.0008080500000000, 0.0000000000000000, 0.0002979900000000 ] - [ 0.0016943600000000, 0.0156434500000000, 0.0074266400000000 ] - [ 0.0016943600000000, -0.0156434500000000, 0.0074266400000000 ] - [ 0.0022823700000000, 0.0000018800000000, 0.0000376200000000 ] - [ 0.0022823700000000, -0.0000018800000000, 0.0000376200000000 ] - [ 0.0005805400000000, 0.0027007900000000, -0.0019289800000000 ] - [ 0.0005805400000000, -0.0027007900000000, -0.0019289800000000 ] - [ 0.0099422700000000, 0.0000000000000000, -0.0015630300000000 ] - [ 0.0025584100000000, 0.0000000000000000, -0.0023095000000000 ] - [ -0.0000421800000000, -0.0000221200000000, -0.0006419000000000 ] - [ -0.0000421800000000, 0.0000221200000000, -0.0006419000000000 ] - [ 0.0034278800000000, 0.0000000000000000, -0.0002539500000000 ] - [ 0.0034234900000000, 0.0000000000000000, -0.0002489900000000 ] - [ 0.0458597800000000, 0.0000000000000000, -0.0681027200000000 ] - [ -0.0001392200000000, 0.0000000000000000, -0.0019947300000000 ] - [ -0.0027108100000000, -0.0000761600000000, -0.0000682300000000 ] - [ -0.0027108100000000, 0.0000761600000000, -0.0000682300000000 ] - [ -0.0012464600000000, -0.0138021700000000, -0.0046523300000000 ] - [ -0.0012464600000000, 0.0138021700000000, -0.0046523300000000 ] - [ 0.0010256600000000, 0.0000000000000000, 0.0010691700000000 ] - [ 0.0015651600000000, 0.0000000000000000, 0.0020088800000000 ] - [ 0.0032238000000000, -0.0068629000000000, 0.0027908100000000 ] - [ 0.0032238000000000, 0.0068629000000000, 0.0027908100000000 ] - [ -0.0165609400000000, 0.0000000000000000, -0.0065597500000000 ] - [ -0.0002268900000000, 0.0000000000000000, -0.0004855600000000 ] - [ -0.0000355900000000, -0.0000303700000000, -0.0000208400000000 ] - [ -0.0000355900000000, 0.0000303700000000, -0.0000208400000000 ] - [ 0.0005896300000000, 0.0000253500000000, 0.0001146100000000 ] - [ 0.0005896300000000, -0.0000253500000000, 0.0001146100000000 ] - [ -0.0005922900000000, -0.0007848600000000, -0.0026126500000000 ] - [ -0.0005922900000000, 0.0007848600000000, -0.0026126500000000 ] - [ -0.0045883900000000, 0.0000000000000000, 0.0088099600000000 ] - [ -0.0005118400000000, 0.0000000000000000, 0.0016880700000000 ] - [ -0.0048468800000000, 0.0000000000000000, 0.0004761500000000 ] - [ -0.0053614400000000, 0.0000000000000000, 0.0000284400000000 ] - [ -0.0007448200000000, 0.0000000000000000, 0.0035848200000000 ] - [ -0.0004073900000000, 0.0000000000000000, 0.0016244500000000 ] - [ -0.0000956900000000, -0.0000004700000000, 0.0004436500000000 ] - [ -0.0000956900000000, 0.0000004700000000, 0.0004436500000000 ] - [ 0.0048639400000000, -0.0005809000000000, 0.0025095800000000 ] - [ 0.0048639400000000, 0.0005809000000000, 0.0025095800000000 ] - [ 0.0005382300000000, 0.0000280800000000, 0.0028131400000000 ] - [ 0.0005382300000000, -0.0000280800000000, 0.0028131400000000 ] - [ 0.0004859900000000, 0.0000000000000000, 0.0009110300000000 ] - [ 0.0005081000000000, 0.0000000000000000, 0.0009327700000000 ] - [ -0.0013927700000000, 0.0000000000000000, 0.0019007000000000 ] - [ 0.0002777400000000, 0.0000000000000000, 0.0008028600000000 ] - [ -0.0021176000000000, 0.0000000000000000, -0.0003467400000000 ] - [ -0.0009517000000000, 0.0000000000000000, -0.0000106900000000 ] - [ -0.0011865900000000, 0.0000258100000000, 0.0000239300000000 ] - [ -0.0011865900000000, -0.0000258100000000, 0.0000239300000000 ] - [ -0.0007186700000000, 0.0000000000000000, 0.0048961300000000 ] - [ -0.0002832900000000, 0.0000000000000000, 0.0023831500000000 ] - [ 0.0029766700000000, 0.0009043200000000, 0.0010388800000000 ] - [ 0.0029766700000000, -0.0009043200000000, 0.0010388800000000 ] - [ -0.0006254700000000, -0.0000361200000000, 0.0001492000000000 ] - [ -0.0006254700000000, 0.0000361200000000, 0.0001492000000000 ] - [ -0.0048327500000000, 0.0000000000000000, 0.0007299200000000 ] - [ -0.0038359100000000, 0.0000000000000000, 0.0006919100000000 ] - [ 0.0037147700000000, 0.0000000000000000, -0.0014016800000000 ] - [ 0.0037572300000000, 0.0000000000000000, -0.0013942000000000 ] - [ 0.0006081200000000, 0.0007882500000000, 0.0020308200000000 ] - [ 0.0006081200000000, -0.0007882500000000, 0.0020308200000000 ] - [ 0.0001831900000000, 0.0000000000000000, 0.0015329400000000 ] - [ 0.0001859300000000, 0.0000000000000000, 0.0011459200000000 ] - [ 0.0008675900000000, 0.0000484800000000, 0.0002102000000000 ] - [ 0.0008675900000000, -0.0000484800000000, 0.0002102000000000 ] - [ -0.0118157000000000, 0.0000000000000000, 0.0059634500000000 ] - [ -0.0028158800000000, 0.0000000000000000, 0.0000923000000000 ] - [ 0.0010787300000000, 0.0000000000000000, 0.0004600900000000 ] - [ 0.0003419200000000, 0.0000000000000000, 0.0000911000000000 ] - [ -0.0005238600000000, 0.0000000000000000, -0.0030814000000000 ] - [ -0.0000975800000000, 0.0000000000000000, -0.0024775200000000 ] - [ -0.0003152700000000, 0.0000015600000000, -0.0014396100000000 ] - [ -0.0003152700000000, -0.0000015600000000, -0.0014396100000000 ] - [ -0.0048187600000000, 0.0001029000000000, -0.0006789400000000 ] - [ -0.0048187600000000, -0.0001029000000000, -0.0006789400000000 ] - [ -0.0002429200000000, -0.0000099700000000, -0.0007069100000000 ] - [ -0.0002429200000000, 0.0000099700000000, -0.0007069100000000 ]- atom: 55 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0057798100000000, 0.0000000000000000, -0.0047087300000000 ] - [ 0.0034635100000000, 0.0000000000000000, -0.0023641000000000 ] - [ -0.0056738900000000, 0.0000000000000000, 0.0087361600000000 ] - [ -0.0043323900000000, 0.0000000000000000, 0.0028290300000000 ] - [ 0.0087845800000000, 0.0022385600000000, -0.0186622000000000 ] - [ 0.0087845800000000, -0.0022385600000000, -0.0186622000000000 ] - [ 0.0011603000000000, 0.0003785700000000, -0.0002011800000000 ] - [ 0.0011603000000000, -0.0003785700000000, -0.0002011800000000 ] - [ -0.0026433400000000, -0.0000020200000000, -0.0005049600000000 ] - [ -0.0026433400000000, 0.0000020200000000, -0.0005049600000000 ] - [ -0.0026440300000000, 0.0000000000000000, 0.0005656800000000 ] - [ -0.0021414900000000, 0.0000000000000000, 0.0003629900000000 ] - [ 0.0080249900000000, 0.0000000000000000, 0.0146708100000000 ] - [ 0.0011913200000000, 0.0000000000000000, -0.0039186900000000 ] - [ -0.0051879400000000, 0.0000000000000000, 0.0103757300000000 ] - [ -0.0048721500000000, 0.0000000000000000, 0.0034976900000000 ] - [ -0.0013373900000000, -0.0003905200000000, -0.0032014100000000 ] - [ -0.0013373900000000, 0.0003905200000000, -0.0032014100000000 ] - [ -0.0033551900000000, 0.0000000000000000, -0.0200953600000000 ] - [ -0.0034699700000000, 0.0000000000000000, -0.0001359000000000 ] - [ 0.0045459700000000, -0.0003123500000000, 0.0035932100000000 ] - [ 0.0045459700000000, 0.0003123500000000, 0.0035932100000000 ] - [ -0.0075476100000000, 0.0000000000000000, 0.0045837000000000 ] - [ -0.0026542600000000, 0.0000000000000000, 0.0036491600000000 ] - [ -0.0010998200000000, -0.0000235000000000, -0.0017319900000000 ] - [ -0.0010998200000000, 0.0000235000000000, -0.0017319900000000 ] - [ -0.0030536400000000, 0.0000267200000000, -0.0012944900000000 ] - [ -0.0030536400000000, -0.0000267200000000, -0.0012944900000000 ] - [ -0.0105429400000000, 0.0000000000000000, 0.0002906300000000 ] - [ -0.0040863300000000, 0.0000000000000000, -0.0009050000000000 ] - [ -0.0045485800000000, 0.0000020800000000, 0.0016562800000000 ] - [ -0.0045485800000000, -0.0000020800000000, 0.0016562800000000 ] - [ 0.0050927100000000, 0.0000000000000000, 0.0003208100000000 ] - [ 0.0044601500000000, 0.0000000000000000, -0.0000603000000000 ] - [ -0.0019031000000000, 0.0003690800000000, 0.0015775000000000 ] - [ -0.0019031000000000, -0.0003690800000000, 0.0015775000000000 ] - [ -0.0012908400000000, 0.0000000000000000, -0.0218424600000000 ] - [ -0.0002127600000000, 0.0000000000000000, -0.0016825400000000 ] - [ 0.0047747700000000, 0.0000000000000000, 0.0014898600000000 ] - [ 0.0048343400000000, 0.0000000000000000, 0.0015103500000000 ] - [ 0.0003582200000000, 0.0000000000000000, 0.0015669300000000 ] - [ 0.0004399700000000, 0.0000000000000000, 0.0014120100000000 ] - [ -0.0004159300000000, -0.0154742600000000, -0.0055859900000000 ] - [ -0.0004159300000000, 0.0154742600000000, -0.0055859900000000 ] - [ 0.0018713200000000, -0.0000020800000000, 0.0002192100000000 ] - [ 0.0018713200000000, 0.0000020800000000, 0.0002192100000000 ] - [ -0.0002413700000000, -0.0027109700000000, 0.0018823700000000 ] - [ -0.0002413700000000, 0.0027109700000000, 0.0018823700000000 ] - [ -0.0112818600000000, 0.0000000000000000, 0.0016281500000000 ] - [ -0.0039311500000000, 0.0000000000000000, 0.0023929800000000 ] - [ -0.0001008700000000, 0.0000224900000000, 0.0005152600000000 ] - [ -0.0001008700000000, -0.0000224900000000, 0.0005152600000000 ] - [ 0.0030819600000000, 0.0000000000000000, -0.0000438100000000 ] - [ 0.0030862400000000, 0.0000000000000000, -0.0000493500000000 ] - [ -0.0477021300000000, 0.0000000000000000, 0.0668712200000000 ] - [ -0.0006843800000000, 0.0000000000000000, 0.0021934900000000 ] - [ -0.0034071600000000, 0.0000703300000000, 0.0012103200000000 ] - [ -0.0034071600000000, -0.0000703300000000, 0.0012103200000000 ] - [ 0.0090998100000000, 0.0138742800000000, 0.0019310100000000 ] - [ 0.0090998100000000, -0.0138742800000000, 0.0019310100000000 ] - [ 0.0020222400000000, 0.0000000000000000, 0.0034585800000000 ] - [ 0.0014868500000000, 0.0000000000000000, 0.0025132700000000 ] - [ -0.0028343600000000, 0.0068954800000000, -0.0016505800000000 ] - [ -0.0028343600000000, -0.0068954800000000, -0.0016505800000000 ] - [ 0.0197518600000000, 0.0000000000000000, 0.0072344800000000 ] - [ 0.0031681400000000, 0.0000000000000000, 0.0011198800000000 ] - [ 0.0005418200000000, 0.0000307500000000, 0.0001771100000000 ] - [ 0.0005418200000000, -0.0000307500000000, 0.0001771100000000 ] - [ -0.0015771400000000, -0.0000261100000000, -0.0003679600000000 ] - [ -0.0015771400000000, 0.0000261100000000, -0.0003679600000000 ] - [ 0.0007714300000000, 0.0007948000000000, -0.0020808600000000 ] - [ 0.0007714300000000, -0.0007948000000000, -0.0020808600000000 ] - [ 0.0040801200000000, 0.0000000000000000, -0.0113834400000000 ] - [ -0.0001009900000000, 0.0000000000000000, -0.0041036100000000 ] - [ -0.0052501800000000, 0.0000000000000000, -0.0019119500000000 ] - [ -0.0047154300000000, 0.0000000000000000, -0.0014684500000000 ] - [ 0.0003433600000000, 0.0000000000000000, -0.0031918800000000 ] - [ 0.0000040700000000, 0.0000000000000000, -0.0012646900000000 ] - [ -0.0001324000000000, 0.0000001500000000, 0.0003322100000000 ] - [ -0.0001324000000000, -0.0000001500000000, 0.0003322100000000 ] - [ 0.0050761300000000, 0.0005966500000000, 0.0003963500000000 ] - [ 0.0050761300000000, -0.0005966500000000, 0.0003963500000000 ] - [ 0.0007068900000000, -0.0000272200000000, -0.0010856200000000 ] - [ 0.0007068900000000, 0.0000272200000000, -0.0010856200000000 ] - [ 0.0007653100000000, 0.0000000000000000, 0.0009297500000000 ] - [ 0.0007420200000000, 0.0000000000000000, 0.0008981900000000 ] - [ 0.0055126400000000, 0.0000000000000000, -0.0016486100000000 ] - [ 0.0038494400000000, 0.0000000000000000, -0.0005455100000000 ] - [ 0.0023973700000000, 0.0000000000000000, 0.0003185200000000 ] - [ 0.0012266600000000, 0.0000000000000000, -0.0000214000000000 ] - [ -0.0001655600000000, -0.0000251700000000, 0.0000760100000000 ] - [ -0.0001655600000000, 0.0000251700000000, 0.0000760100000000 ] - [ 0.0005618400000000, 0.0000000000000000, -0.0050174000000000 ] - [ 0.0001363400000000, 0.0000000000000000, -0.0025244400000000 ] - [ 0.0035297300000000, -0.0008604100000000, -0.0013359500000000 ] - [ 0.0035297300000000, 0.0008604100000000, -0.0013359500000000 ] - [ -0.0001103500000000, 0.0000469400000000, 0.0001195800000000 ] - [ -0.0001103500000000, -0.0000469400000000, 0.0001195800000000 ] - [ -0.0013061000000000, 0.0000000000000000, 0.0004100700000000 ] - [ -0.0022869500000000, 0.0000000000000000, 0.0004481600000000 ] - [ 0.0041989500000000, 0.0000000000000000, -0.0013834200000000 ] - [ 0.0041447800000000, 0.0000000000000000, -0.0013915000000000 ] - [ 0.0024348500000000, -0.0007765400000000, 0.0024787000000000 ] - [ 0.0024348500000000, 0.0007765400000000, 0.0024787000000000 ] - [ 0.0002396100000000, 0.0000000000000000, -0.0004407600000000 ] - [ 0.0002329800000000, 0.0000000000000000, -0.0000273800000000 ] - [ 0.0021189700000000, -0.0000483400000000, 0.0004337300000000 ] - [ 0.0021189700000000, 0.0000483400000000, 0.0004337300000000 ] - [ 0.0121059300000000, 0.0000000000000000, -0.0057004400000000 ] - [ 0.0033034100000000, 0.0000000000000000, 0.0000557700000000 ] - [ -0.0020337600000000, 0.0000000000000000, -0.0007146400000000 ] - [ -0.0013333600000000, 0.0000000000000000, -0.0003530000000000 ] - [ 0.0007095000000000, 0.0000000000000000, -0.0016450200000000 ] - [ 0.0002850300000000, 0.0000000000000000, -0.0022346700000000 ] - [ -0.0002887400000000, -0.0000019800000000, -0.0009845600000000 ] - [ -0.0002887400000000, 0.0000019800000000, -0.0009845600000000 ] - [ -0.0052387500000000, -0.0001021300000000, -0.0007707800000000 ] - [ -0.0052387500000000, 0.0001021300000000, -0.0007707800000000 ] - [ -0.0001524700000000, 0.0000091600000000, 0.0010818800000000 ] - [ -0.0001524700000000, -0.0000091600000000, 0.0010818800000000 ]- atom: 57 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0245147300000000, -0.0037005100000000, 0.0008874700000000 ] - [ 0.0245147300000000, 0.0037005100000000, 0.0008874700000000 ] - [ -0.0041036200000000, -0.0000156300000000, 0.0034316400000000 ] - [ -0.0041036200000000, 0.0000156300000000, 0.0034316400000000 ] - [ -0.0040707800000000, 0.0000000000000000, -0.0024563300000000 ] - [ -0.0037235100000000, 0.0000000000000000, -0.0022060300000000 ] - [ -0.0010611200000000, 0.0000000000000000, -0.0028592500000000 ] - [ -0.0001129900000000, 0.0000000000000000, -0.0024245000000000 ] - [ -0.0068413100000000, 0.0000000000000000, -0.0040781400000000 ] - [ -0.0051046200000000, 0.0000000000000000, -0.0021396100000000 ] - [ -0.0023213900000000, 0.0007077800000000, 0.0040052400000000 ] - [ -0.0023213900000000, -0.0007077800000000, 0.0040052400000000 ] - [ -0.0086941700000000, -0.0002901400000000, -0.0010943500000000 ] - [ -0.0086941700000000, 0.0002901400000000, -0.0010943500000000 ] - [ -0.0041941500000000, 0.0000361600000000, -0.0026151600000000 ] - [ -0.0041941500000000, -0.0000361600000000, -0.0026151600000000 ] - [ 0.0095184500000000, 0.0000000000000000, 0.0091022500000000 ] - [ 0.0089455000000000, 0.0000000000000000, -0.0045147300000000 ] - [ -0.0040505300000000, -0.0011931900000000, -0.0048033800000000 ] - [ -0.0040505300000000, 0.0011931900000000, -0.0048033800000000 ] - [ 0.0008294900000000, 0.0000000000000000, -0.0026988600000000 ] - [ 0.0013200700000000, 0.0000000000000000, -0.0023669400000000 ] - [ 0.0043708800000000, 0.0045514300000000, 0.0080113700000000 ] - [ 0.0043708800000000, -0.0045514300000000, 0.0080113700000000 ] - [ -0.0154190900000000, 0.0000000000000000, -0.0013420500000000 ] - [ -0.0034096600000000, 0.0000000000000000, -0.0021418600000000 ] - [ -0.0000295200000000, 0.0000000000000000, -0.0139258600000000 ] - [ -0.0008869700000000, 0.0000000000000000, -0.0030763000000000 ] - [ -0.0045880900000000, 0.0000737600000000, -0.0028367900000000 ] - [ -0.0045880900000000, -0.0000737600000000, -0.0028367900000000 ] - [ -0.0053410900000000, 0.0000000000000000, 0.0015958600000000 ] - [ -0.0051973300000000, 0.0000000000000000, 0.0017824100000000 ] - [ 0.0072889600000000, 0.0008803800000000, 0.0107516900000000 ] - [ 0.0072889600000000, -0.0008803800000000, 0.0107516900000000 ] - [ -0.0039032500000000, 0.0000000000000000, 0.0010743200000000 ] - [ -0.0035390000000000, 0.0000000000000000, 0.0014049000000000 ] - [ 0.0005210500000000, 0.0001056900000000, -0.0014048900000000 ] - [ 0.0005210500000000, -0.0001056900000000, -0.0014048900000000 ] - [ 0.0030121500000000, -0.0016336700000000, 0.0022635700000000 ] - [ 0.0030121500000000, 0.0016336700000000, 0.0022635700000000 ] - [ -0.0021734300000000, 0.0037266400000000, -0.0135848000000000 ] - [ -0.0021734300000000, -0.0037266400000000, -0.0135848000000000 ] - [ 0.0023137600000000, 0.0000000000000000, 0.0020159900000000 ] - [ 0.0022429800000000, 0.0000000000000000, 0.0017576000000000 ] - [ 0.0040448400000000, 0.0000000000000000, 0.0021546700000000 ] - [ 0.0019177400000000, 0.0000000000000000, 0.0005597000000000 ] - [ 0.0028650700000000, 0.0000000000000000, 0.0003099000000000 ] - [ 0.0025894500000000, 0.0000000000000000, 0.0002813000000000 ] - [ 0.0082605900000000, 0.0066496200000000, 0.0030321700000000 ] - [ 0.0082605900000000, -0.0066496200000000, 0.0030321700000000 ] - [ 0.0068897500000000, 0.0000000000000000, 0.0222146900000000 ] - [ -0.0012823200000000, 0.0000000000000000, 0.0025925700000000 ] - [ 0.0037085100000000, -0.0005984400000000, 0.0004996800000000 ] - [ 0.0037085100000000, 0.0005984400000000, 0.0004996800000000 ] - [ 0.0005841000000000, 0.0000763000000000, 0.0010874000000000 ] - [ 0.0005841000000000, -0.0000763000000000, 0.0010874000000000 ] - [ -0.1086546700000000, 0.0000000000000000, 0.0019610300000000 ] - [ -0.0137319100000000, 0.0000000000000000, 0.0022499400000000 ] - [ 0.0050924300000000, 0.0000000000000000, -0.0000808600000000 ] - [ 0.0047712400000000, 0.0000000000000000, -0.0002735300000000 ] - [ 0.0057754500000000, -0.0241334500000000, -0.0017759900000000 ] - [ 0.0057754500000000, 0.0241334500000000, -0.0017759900000000 ] - [ 0.0006553300000000, 0.0000000000000000, 0.0028569400000000 ] - [ 0.0005832600000000, 0.0000000000000000, 0.0026045600000000 ] - [ -0.0029608900000000, 0.0016348600000000, 0.0034962800000000 ] - [ -0.0029608900000000, -0.0016348600000000, 0.0034962800000000 ] - [ 0.0387193000000000, 0.0000000000000000, -0.0062043700000000 ] - [ -0.0002823400000000, 0.0000000000000000, 0.0004511400000000 ] - [ 0.0022227100000000, 0.0000000000000000, 0.0004033100000000 ] - [ 0.0015935900000000, 0.0000000000000000, 0.0002060800000000 ] - [ 0.0039266300000000, 0.0000000000000000, -0.0150320300000000 ] - [ -0.0011788300000000, 0.0000000000000000, -0.0032116600000000 ] - [ -0.0002938300000000, 0.0000088700000000, 0.0017628000000000 ] - [ -0.0002938300000000, -0.0000088700000000, 0.0017628000000000 ] - [ -0.0043271500000000, -0.0001052300000000, -0.0003694300000000 ] - [ -0.0043271500000000, 0.0001052300000000, -0.0003694300000000 ] - [ -0.0009290600000000, -0.0001838300000000, -0.0031594600000000 ] - [ -0.0009290600000000, 0.0001838300000000, -0.0031594600000000 ] - [ 0.0010731000000000, 0.0000000000000000, 0.0042238200000000 ] - [ 0.0002309300000000, 0.0000000000000000, 0.0015661300000000 ] - [ 0.0056820600000000, 0.0000000000000000, 0.0017870400000000 ] - [ 0.0056073200000000, 0.0000000000000000, 0.0017620000000000 ] - [ 0.0010312200000000, 0.0000000000000000, 0.0023205500000000 ] - [ 0.0009416600000000, 0.0000000000000000, 0.0020148800000000 ] - [ 0.0017932600000000, -0.0026691100000000, -0.0002304400000000 ] - [ 0.0017932600000000, 0.0026691100000000, -0.0002304400000000 ] - [ 0.0021372300000000, -0.0000023900000000, 0.0000014100000000 ] - [ 0.0021372300000000, 0.0000023900000000, 0.0000014100000000 ] - [ 0.0003438700000000, -0.0006552800000000, -0.0010774400000000 ] - [ 0.0003438700000000, 0.0006552800000000, -0.0010774400000000 ] - [ 0.0043885100000000, 0.0000000000000000, -0.0008148000000000 ] - [ 0.0019122400000000, 0.0000000000000000, 0.0001237800000000 ] - [ 0.0002821600000000, -0.0000092000000000, 0.0004458500000000 ] - [ 0.0002821600000000, 0.0000092000000000, 0.0004458500000000 ] - [ 0.0034002000000000, 0.0000000000000000, -0.0010131400000000 ] - [ 0.0033578300000000, 0.0000000000000000, -0.0009467400000000 ] - [ 0.0004309600000000, 0.0000000000000000, -0.0014538800000000 ] - [ -0.0000826700000000, 0.0000000000000000, -0.0005990800000000 ] - [ -0.0017452600000000, -0.0002082600000000, 0.0007428700000000 ] - [ -0.0017452600000000, 0.0002082600000000, 0.0007428700000000 ] - [ 0.0041058700000000, -0.0003797300000000, -0.0016546800000000 ] - [ 0.0041058700000000, 0.0003797300000000, -0.0016546800000000 ] - [ 0.0024918700000000, 0.0000000000000000, 0.0026308200000000 ] - [ 0.0023726900000000, 0.0000000000000000, 0.0025927800000000 ] - [ -0.0001296400000000, -0.0001486700000000, -0.0041136600000000 ] - [ -0.0001296400000000, 0.0001486700000000, -0.0041136600000000 ] - [ 0.0034756600000000, 0.0000000000000000, 0.0005848900000000 ] - [ 0.0030481800000000, 0.0000000000000000, 0.0005820700000000 ] - [ 0.0038901800000000, 0.0000046300000000, 0.0002224900000000 ] - [ 0.0038901800000000, -0.0000046300000000, 0.0002224900000000 ] - [ -0.0005084400000000, 0.0000624700000000, -0.0011218400000000 ] - [ -0.0005084400000000, -0.0000624700000000, -0.0011218400000000 ] - [ 0.0006211900000000, -0.0001018000000000, -0.0018913600000000 ] - [ 0.0006211900000000, 0.0001018000000000, -0.0018913600000000 ] - [ -0.0006310300000000, 0.0000000000000000, 0.0011829800000000 ] - [ -0.0004574300000000, 0.0000000000000000, -0.0006305900000000 ] - [ -0.0091240900000000, 0.0000000000000000, -0.0016560000000000 ] - [ -0.0072703600000000, 0.0000000000000000, -0.0024312600000000 ] - [ 0.0003310700000000, 0.0000000000000000, 0.0021753000000000 ] - [ 0.0001377400000000, 0.0000000000000000, 0.0016357500000000 ]- atom: 57 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ -0.0199765500000000, 0.0033957200000000, -0.0032501100000000 ] - [ -0.0199765500000000, -0.0033957200000000, -0.0032501100000000 ] - [ -0.0029421600000000, 0.0000117600000000, -0.0035353300000000 ] - [ -0.0029421600000000, -0.0000117600000000, -0.0035353300000000 ] - [ 0.0013542400000000, 0.0000000000000000, 0.0023794800000000 ] - [ 0.0010114400000000, 0.0000000000000000, 0.0021213600000000 ] - [ 0.0054095400000000, 0.0000000000000000, 0.0004855000000000 ] - [ 0.0044782900000000, 0.0000000000000000, 0.0000486500000000 ] - [ -0.0002363300000000, 0.0000000000000000, 0.0039086900000000 ] - [ -0.0019364200000000, 0.0000000000000000, 0.0020069100000000 ] - [ -0.0003559500000000, -0.0006956100000000, -0.0040214800000000 ] - [ -0.0003559500000000, 0.0006956100000000, -0.0040214800000000 ] - [ 0.0076080800000000, 0.0002844300000000, -0.0025695600000000 ] - [ 0.0076080800000000, -0.0002844300000000, -0.0025695600000000 ] - [ -0.0023908600000000, -0.0000383000000000, 0.0009898200000000 ] - [ -0.0023908600000000, 0.0000383000000000, 0.0009898200000000 ] - [ -0.0089107500000000, 0.0000000000000000, -0.0131122800000000 ] - [ -0.0111944100000000, 0.0000000000000000, 0.0001138300000000 ] - [ -0.0038380700000000, 0.0011862700000000, 0.0084873400000000 ] - [ -0.0038380700000000, -0.0011862700000000, 0.0084873400000000 ] - [ 0.0063382900000000, 0.0000000000000000, 0.0021081700000000 ] - [ 0.0058605400000000, 0.0000000000000000, 0.0017752000000000 ] - [ -0.0060779800000000, -0.0045308600000000, -0.0026081200000000 ] - [ -0.0060779800000000, 0.0045308600000000, -0.0026081200000000 ] - [ 0.0141566400000000, 0.0000000000000000, -0.0022941600000000 ] - [ 0.0023580600000000, 0.0000000000000000, -0.0015098700000000 ] - [ -0.0064868000000000, 0.0000000000000000, 0.0121183500000000 ] - [ -0.0056384400000000, 0.0000000000000000, 0.0014741300000000 ] - [ 0.0021947600000000, -0.0000736100000000, -0.0015717500000000 ] - [ 0.0021947600000000, 0.0000736100000000, -0.0015717500000000 ] - [ -0.0024844500000000, 0.0000000000000000, 0.0021282700000000 ] - [ -0.0026243700000000, 0.0000000000000000, 0.0019513500000000 ] - [ -0.0000465800000000, -0.0008698500000000, -0.0111499000000000 ] - [ -0.0000465800000000, 0.0008698500000000, -0.0111499000000000 ] - [ 0.0020937600000000, 0.0000000000000000, 0.0043060200000000 ] - [ 0.0017288500000000, 0.0000000000000000, 0.0039770100000000 ] - [ -0.0007540100000000, -0.0001060900000000, 0.0021670500000000 ] - [ -0.0007540100000000, 0.0001060900000000, 0.0021670500000000 ] - [ 0.0069082000000000, 0.0016038500000000, 0.0006497700000000 ] - [ 0.0069082000000000, -0.0016038500000000, 0.0006497700000000 ] - [ 0.0034718200000000, -0.0036359000000000, 0.0150560500000000 ] - [ 0.0034718200000000, 0.0036359000000000, 0.0150560500000000 ] - [ -0.0010611300000000, 0.0000000000000000, -0.0001963600000000 ] - [ -0.0009974400000000, 0.0000000000000000, 0.0000645100000000 ] - [ 0.0001327000000000, 0.0000000000000000, -0.0018604400000000 ] - [ 0.0022022600000000, 0.0000000000000000, -0.0002960200000000 ] - [ -0.0025849700000000, 0.0000000000000000, -0.0003406400000000 ] - [ -0.0022958900000000, 0.0000000000000000, -0.0003120500000000 ] - [ -0.0096267800000000, -0.0067247400000000, -0.0029397000000000 ] - [ -0.0096267800000000, 0.0067247400000000, -0.0029397000000000 ] - [ -0.0069307800000000, 0.0000000000000000, -0.0218649500000000 ] - [ 0.0011307600000000, 0.0000000000000000, -0.0027265300000000 ] - [ 0.0027983500000000, 0.0006037900000000, -0.0007913200000000 ] - [ 0.0027983500000000, -0.0006037900000000, -0.0007913200000000 ] - [ -0.0013070600000000, -0.0000797200000000, -0.0008173600000000 ] - [ -0.0013070600000000, 0.0000797200000000, -0.0008173600000000 ] - [ 0.0985979900000000, 0.0000000000000000, -0.0010446100000000 ] - [ 0.0074641800000000, 0.0000000000000000, -0.0010974200000000 ] - [ 0.0028159800000000, 0.0000000000000000, -0.0026986900000000 ] - [ 0.0031381900000000, 0.0000000000000000, -0.0025139700000000 ] - [ -0.0027694100000000, 0.0238015700000000, 0.0062150900000000 ] - [ -0.0027694100000000, -0.0238015700000000, 0.0062150900000000 ] - [ -0.0002340500000000, 0.0000000000000000, -0.0017331100000000 ] - [ -0.0001649400000000, 0.0000000000000000, -0.0014558400000000 ] - [ 0.0059466600000000, -0.0015821000000000, -0.0027583300000000 ] - [ 0.0059466600000000, 0.0015821000000000, -0.0027583300000000 ] - [ -0.0374628000000000, 0.0000000000000000, 0.0062266800000000 ] - [ 0.0007333700000000, 0.0000000000000000, -0.0002897100000000 ] - [ -0.0031708800000000, 0.0000000000000000, -0.0006641500000000 ] - [ -0.0025475100000000, 0.0000000000000000, -0.0004678500000000 ] - [ -0.0037287300000000, 0.0000000000000000, 0.0101702200000000 ] - [ 0.0013420700000000, 0.0000000000000000, -0.0014906800000000 ] - [ -0.0003036900000000, -0.0000096600000000, -0.0041544800000000 ] - [ -0.0003036900000000, 0.0000096600000000, -0.0041544800000000 ] - [ -0.0057312900000000, 0.0001020000000000, -0.0010797300000000 ] - [ -0.0057312900000000, -0.0001020000000000, -0.0010797300000000 ] - [ 0.0005251800000000, 0.0001809200000000, 0.0035095300000000 ] - [ 0.0005251800000000, -0.0001809200000000, 0.0035095300000000 ] - [ -0.0012942600000000, 0.0000000000000000, -0.0034053600000000 ] - [ -0.0004694500000000, 0.0000000000000000, -0.0008104900000000 ] - [ 0.0042771000000000, 0.0000000000000000, 0.0011233400000000 ] - [ 0.0043505300000000, 0.0000000000000000, 0.0011488100000000 ] - [ 0.0002218200000000, 0.0000000000000000, -0.0006310300000000 ] - [ 0.0003107900000000, 0.0000000000000000, -0.0003045400000000 ] - [ -0.0005428700000000, 0.0026200300000000, 0.0020288600000000 ] - [ -0.0005428700000000, -0.0026200300000000, 0.0020288600000000 ] - [ 0.0020106000000000, 0.0000017700000000, 0.0002603700000000 ] - [ 0.0020106000000000, -0.0000017700000000, 0.0002603700000000 ] - [ -0.0000950200000000, 0.0006499100000000, 0.0010360100000000 ] - [ -0.0000950200000000, -0.0006499100000000, 0.0010360100000000 ] - [ -0.0056702100000000, 0.0000000000000000, 0.0009067900000000 ] - [ -0.0032464900000000, 0.0000000000000000, -0.0000201900000000 ] - [ -0.0004153100000000, 0.0000086800000000, -0.0005781700000000 ] - [ -0.0004153100000000, -0.0000086800000000, -0.0005781700000000 ] - [ 0.0031078000000000, 0.0000000000000000, 0.0007111900000000 ] - [ 0.0031491200000000, 0.0000000000000000, 0.0006446200000000 ] - [ -0.0011713100000000, 0.0000000000000000, 0.0016924000000000 ] - [ -0.0006659400000000, 0.0000000000000000, 0.0008519200000000 ] - [ -0.0043588100000000, 0.0002106100000000, 0.0003988500000000 ] - [ -0.0043588100000000, -0.0002106100000000, 0.0003988500000000 ] - [ 0.0037808400000000, 0.0003726200000000, -0.0011391500000000 ] - [ 0.0037808400000000, -0.0003726200000000, -0.0011391500000000 ] - [ 0.0005561900000000, 0.0000000000000000, 0.0018922600000000 ] - [ 0.0006750200000000, 0.0000000000000000, 0.0019293400000000 ] - [ 0.0005362700000000, 0.0001473000000000, 0.0051868000000000 ] - [ 0.0005362700000000, -0.0001473000000000, 0.0051868000000000 ] - [ -0.0004844500000000, 0.0000000000000000, 0.0000689400000000 ] - [ -0.0000668100000000, 0.0000000000000000, 0.0000703400000000 ] - [ -0.0033685200000000, -0.0000043600000000, -0.0000624300000000 ] - [ -0.0033685200000000, 0.0000043600000000, -0.0000624300000000 ] - [ -0.0004593800000000, -0.0000660000000000, 0.0008443900000000 ] - [ -0.0004593800000000, 0.0000660000000000, 0.0008443900000000 ] - [ -0.0004366100000000, 0.0000991800000000, -0.0028003800000000 ] - [ -0.0004366100000000, -0.0000991800000000, -0.0028003800000000 ] - [ 0.0000253400000000, 0.0000000000000000, -0.0035718000000000 ] - [ -0.0001463000000000, 0.0000000000000000, -0.0017974300000000 ] - [ -0.0009958600000000, 0.0000000000000000, 0.0001865100000000 ] - [ -0.0028284000000000, 0.0000000000000000, 0.0009553700000000 ] - [ -0.0007241900000000, 0.0000000000000000, -0.0017892700000000 ] - [ -0.0005338400000000, 0.0000000000000000, -0.0012519800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0118566300000000, 0.0062328400000000, -0.0009920500000000 ] - [ -0.0086373500000000, 0.0108568500000000, -0.0012279600000000 ] - [ -0.0059651400000000, -0.0000071300000000, 0.0001460800000000 ] - [ -0.0010031000000000, 0.0000056100000000, -0.0003225600000000 ] - [ -0.0013376100000000, 0.0017209500000000, -0.0000121600000000 ] - [ -0.0013326900000000, -0.0017268600000000, -0.0000167000000000 ] - [ 0.0022189900000000, 0.0001779800000000, -0.0011686700000000 ] - [ 0.0022103400000000, -0.0001830000000000, -0.0011758400000000 ] - [ -0.0034852900000000, 0.0000339600000000, -0.0000224600000000 ] - [ -0.0035087200000000, -0.0000412300000000, -0.0000430500000000 ] - [ -0.0005649600000000, -0.0000151000000000, 0.0011463700000000 ] - [ -0.0020796900000000, 0.0000007700000000, -0.0013275000000000 ] - [ -0.0123065600000000, -0.0000905300000000, -0.0014969000000000 ] - [ 0.0114182600000000, -0.0000791000000000, -0.0021801900000000 ] - [ -0.0039892600000000, -0.0000017900000000, -0.0022823200000000 ] - [ -0.0025595300000000, 0.0000028200000000, 0.0006892600000000 ] - [ -0.0005984200000000, 0.0195751600000000, -0.0022692100000000 ] - [ -0.0012392300000000, -0.0180627700000000, -0.0021848400000000 ] - [ -0.0107742400000000, -0.0000988700000000, -0.0072113400000000 ] - [ 0.0028706300000000, -0.0000416800000000, 0.0110218300000000 ] - [ 0.0036249400000000, 0.0002927600000000, -0.0002708000000000 ] - [ 0.0036226700000000, -0.0002917500000000, -0.0002736300000000 ] - [ 0.0026980000000000, -0.0002517000000000, -0.0009195600000000 ] - [ -0.0044798900000000, -0.0000949500000000, 0.0062197300000000 ] - [ -0.0003819600000000, 0.0004696900000000, -0.0018391000000000 ] - [ -0.0005141600000000, -0.0005942500000000, -0.0018286800000000 ] - [ -0.0033241800000000, 0.0016004400000000, -0.0006465700000000 ] - [ -0.0033238000000000, -0.0018741600000000, -0.0007952900000000 ] - [ -0.0020057600000000, -0.0000110900000000, -0.0023378200000000 ] - [ -0.0003019700000000, -0.0000076100000000, -0.0020594200000000 ] - [ -0.0039020400000000, 0.0003166500000000, 0.0018634800000000 ] - [ -0.0039029800000000, -0.0003363100000000, 0.0018591400000000 ] - [ 0.0066440900000000, 0.0006034100000000, 0.0220162300000000 ] - [ 0.0005086100000000, 0.0006454700000000, -0.0229191200000000 ] - [ -0.0008725600000000, 0.0001422900000000, 0.0027127700000000 ] - [ -0.0008762600000000, -0.0001433300000000, 0.0027078500000000 ] - [ 0.0006659700000000, -0.0000053400000000, -0.0004833700000000 ] - [ -0.0009159700000000, -0.0000088200000000, 0.0012622700000000 ] - [ 0.0037869800000000, 0.0001939900000000, 0.0008283700000000 ] - [ 0.0062150700000000, 0.0001471100000000, 0.0020660900000000 ] - [ 0.0032518700000000, 0.0096385000000000, -0.0376980200000000 ] - [ -0.0019865400000000, 0.0095963300000000, 0.0400761800000000 ] - [ 0.0006098400000000, -0.0049494700000000, 0.0009020000000000 ] - [ 0.0006081100000000, 0.0051820500000000, 0.0009010500000000 ] - [ 0.0020468600000000, 0.0000200200000000, 0.0001056000000000 ] - [ 0.0020778200000000, 0.0000603300000000, 0.0001260000000000 ] - [ 0.0001137300000000, -0.0001559700000000, -0.0000190200000000 ] - [ 0.0001185800000000, 0.0001645600000000, -0.0000183300000000 ] - [ 0.0211776600000000, 0.0028783600000000, 0.0067966500000000 ] - [ -0.0228801500000000, 0.0028233700000000, -0.0068327400000000 ] - [ -0.0001629200000000, -0.0031763800000000, -0.0002863900000000 ] - [ -0.0000560900000000, 0.0012956400000000, -0.0000731800000000 ] - [ 0.0032405300000000, 0.0000204400000000, -0.0001572800000000 ] - [ 0.0032513000000000, -0.0000056900000000, -0.0001539000000000 ] - [ 0.0013610900000000, 0.0000270000000000, 0.0010426700000000 ] - [ -0.0021074500000000, 0.0000222100000000, -0.0008032600000000 ] - [ -0.0022014000000000, -0.1669494400000000, 0.0002393000000000 ] - [ -0.0029534900000000, 0.0617235900000000, 0.0005530400000000 ] - [ 0.0039609600000000, -0.0049683400000000, -0.0013958900000000 ] - [ 0.0039521300000000, 0.0054537900000000, -0.0014043800000000 ] - [ -0.0199556400000000, 0.0242492100000000, 0.0054897500000000 ] - [ 0.0233454900000000, 0.0242898400000000, -0.0010211000000000 ] - [ 0.0002070200000000, -0.0001835100000000, 0.0005408100000000 ] - [ 0.0002064500000000, 0.0001796800000000, 0.0005490500000000 ] - [ 0.0038993100000000, 0.0059520800000000, 0.0109590900000000 ] - [ -0.0008673700000000, 0.0059281100000000, -0.0103864400000000 ] - [ -0.0000929300000000, 0.0010120100000000, 0.0001356000000000 ] - [ 0.0002760200000000, 0.0014109700000000, 0.0000764800000000 ] - [ -0.0005107500000000, -0.0000101300000000, -0.0001365700000000 ] - [ -0.0005039700000000, 0.0000129700000000, -0.0001341500000000 ] - [ 0.0000273400000000, -0.0035040500000000, -0.0022167000000000 ] - [ 0.0000845900000000, 0.0037906800000000, -0.0023537500000000 ] - [ 0.0001805300000000, -0.0000940100000000, 0.0019403400000000 ] - [ -0.0007794900000000, -0.0000969000000000, -0.0043908500000000 ] - [ -0.0048017000000000, 0.0000011000000000, -0.0006748200000000 ] - [ -0.0052737100000000, -0.0000011700000000, -0.0007827300000000 ] - [ -0.0002123400000000, -0.0001154500000000, 0.0010451000000000 ] - [ -0.0001860400000000, -0.0001213600000000, -0.0005990700000000 ] - [ -0.0001310900000000, 0.0000273200000000, 0.0003428200000000 ] - [ -0.0001216800000000, 0.0000242900000000, 0.0003685300000000 ] - [ 0.0049709000000000, -0.0007722400000000, 0.0014517300000000 ] - [ 0.0049718500000000, 0.0007695500000000, 0.0014520000000000 ] - [ 0.0006215500000000, -0.0000419800000000, 0.0008307600000000 ] - [ 0.0006232700000000, 0.0000456500000000, 0.0008398900000000 ] - [ 0.0004100300000000, 0.0002436800000000, 0.0006298400000000 ] - [ 0.0008122400000000, 0.0001841100000000, 0.0012159400000000 ] - [ 0.0024407400000000, 0.0000034300000000, 0.0002715500000000 ] - [ 0.0016706300000000, 0.0000028900000000, -0.0000088800000000 ] - [ -0.0007156800000000, 0.0000746000000000, 0.0001418700000000 ] - [ 0.0009224000000000, 0.0000554200000000, -0.0001596600000000 ] - [ -0.0007185600000000, -0.0000048800000000, 0.0000617500000000 ] - [ -0.0006951500000000, 0.0000864800000000, 0.0000523300000000 ] - [ 0.0000712800000000, -0.0000005200000000, 0.0001054800000000 ] - [ -0.0002154200000000, -0.0000006600000000, -0.0002487900000000 ] - [ 0.0032410600000000, -0.0016878500000000, -0.0001424000000000 ] - [ 0.0032404300000000, 0.0016797600000000, -0.0001424600000000 ] - [ -0.0003775700000000, -0.0006726400000000, 0.0001487500000000 ] - [ -0.0003717600000000, 0.0006650500000000, 0.0001399300000000 ] - [ -0.0028594800000000, 0.0000110400000000, 0.0005981400000000 ] - [ -0.0032782100000000, 0.0000043500000000, 0.0005423400000000 ] - [ 0.0037017300000000, 0.0000207200000000, -0.0014556700000000 ] - [ 0.0041957300000000, 0.0000116900000000, -0.0013261500000000 ] - [ 0.0015137600000000, -0.0002772800000000, 0.0022565900000000 ] - [ 0.0015145600000000, 0.0002887900000000, 0.0022571200000000 ] - [ -0.0004829400000000, 0.0000156800000000, -0.0024716400000000 ] - [ 0.0009074300000000, 0.0000141800000000, 0.0037438200000000 ] - [ 0.0014732000000000, -0.0000338900000000, 0.0003240900000000 ] - [ 0.0014775500000000, 0.0000330500000000, 0.0003255300000000 ] - [ 0.0020200900000000, 0.0000504000000000, 0.0004902200000000 ] - [ -0.0015950500000000, 0.0000499600000000, -0.0003362800000000 ] - [ 0.0027606900000000, -0.0002374600000000, -0.0016098400000000 ] - [ -0.0037979300000000, -0.0002459400000000, 0.0013736200000000 ] - [ 0.0001280700000000, 0.0000013200000000, -0.0022368800000000 ] - [ 0.0000417700000000, -0.0000009200000000, -0.0024662900000000 ] - [ -0.0002952100000000, -0.0002019700000000, -0.0012375700000000 ] - [ -0.0002967700000000, 0.0002255300000000, -0.0012112800000000 ] - [ -0.0049902900000000, -0.0096921800000000, -0.0007175200000000 ] - [ -0.0050003000000000, 0.0088295300000000, -0.0007052100000000 ] - [ -0.0002069400000000, -0.0000071200000000, 0.0001654200000000 ] - [ -0.0002040200000000, 0.0000066500000000, 0.0001739200000000 ]- atom: 57 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0085057300000000, -0.0011888500000000, 0.0115542800000000 ] - [ -0.0085057300000000, 0.0011888500000000, 0.0115542800000000 ] - [ -0.0012747100000000, 0.0000074200000000, -0.0025475400000000 ] - [ -0.0012747100000000, -0.0000074200000000, -0.0025475400000000 ] - [ -0.0012395000000000, 0.0000000000000000, 0.0011561100000000 ] - [ -0.0011811500000000, 0.0000000000000000, 0.0010138000000000 ] - [ 0.0033907400000000, 0.0000000000000000, -0.0007523000000000 ] - [ 0.0030231600000000, 0.0000000000000000, -0.0009047900000000 ] - [ -0.0032143000000000, 0.0000000000000000, 0.0016939400000000 ] - [ -0.0035679900000000, 0.0000000000000000, 0.0007311300000000 ] - [ 0.0008954500000000, -0.0003475100000000, -0.0032485700000000 ] - [ 0.0008954500000000, 0.0003475100000000, -0.0032485700000000 ] - [ 0.0037383800000000, 0.0002303300000000, -0.0014126400000000 ] - [ 0.0037383800000000, -0.0002303300000000, -0.0014126400000000 ] - [ -0.0028569700000000, -0.0000197800000000, -0.0013365400000000 ] - [ -0.0028569700000000, 0.0000197800000000, -0.0013365400000000 ] - [ -0.0037490300000000, 0.0000000000000000, 0.0039585800000000 ] - [ -0.0075744200000000, 0.0000000000000000, 0.0009691300000000 ] - [ -0.0079552500000000, -0.0002974000000000, 0.0044816300000000 ] - [ -0.0079552500000000, 0.0002974000000000, 0.0044816300000000 ] - [ 0.0043092800000000, 0.0000000000000000, 0.0003188200000000 ] - [ 0.0041008500000000, 0.0000000000000000, 0.0002151400000000 ] - [ 0.0001063600000000, -0.0054520000000000, -0.0008884600000000 ] - [ 0.0001063600000000, 0.0054520000000000, -0.0008884600000000 ] - [ 0.0064416700000000, 0.0000000000000000, -0.0016255100000000 ] - [ 0.0009341200000000, 0.0000000000000000, -0.0016066100000000 ] - [ -0.0063832900000000, 0.0000000000000000, 0.0023886100000000 ] - [ -0.0058437500000000, 0.0000000000000000, 0.0001241300000000 ] - [ 0.0003038100000000, -0.0000297000000000, -0.0021764100000000 ] - [ 0.0003038100000000, 0.0000297000000000, -0.0021764100000000 ] - [ -0.0033284800000000, 0.0000000000000000, 0.0011025300000000 ] - [ -0.0034422600000000, 0.0000000000000000, 0.0011055000000000 ] - [ 0.0025349100000000, -0.0004185300000000, -0.0113758000000000 ] - [ 0.0025349100000000, 0.0004185300000000, -0.0113758000000000 ] - [ -0.0001830900000000, 0.0000000000000000, 0.0031470000000000 ] - [ -0.0002900500000000, 0.0000000000000000, 0.0030493700000000 ] - [ -0.0006798600000000, -0.0000792300000000, 0.0009266400000000 ] - [ -0.0006798600000000, 0.0000792300000000, 0.0009266400000000 ] - [ 0.0062769500000000, 0.0003097100000000, 0.0013798000000000 ] - [ 0.0062769500000000, -0.0003097100000000, 0.0013798000000000 ] - [ -0.0004528200000000, -0.0110849600000000, 0.0146390200000000 ] - [ -0.0004528200000000, 0.0110849600000000, 0.0146390200000000 ] - [ -0.0001861100000000, 0.0000000000000000, 0.0001339400000000 ] - [ -0.0001162500000000, 0.0000000000000000, 0.0002705400000000 ] - [ 0.0026185400000000, 0.0000000000000000, -0.0004493900000000 ] - [ 0.0028994500000000, 0.0000000000000000, -0.0001016000000000 ] - [ -0.0003556200000000, 0.0000000000000000, -0.0001905600000000 ] - [ -0.0003090200000000, 0.0000000000000000, -0.0001724200000000 ] - [ -0.0055131300000000, -0.0023931400000000, -0.0034920800000000 ] - [ -0.0055131300000000, 0.0023931400000000, -0.0034920800000000 ] - [ 0.0041196900000000, 0.0000000000000000, -0.0078735100000000 ] - [ 0.0007879300000000, 0.0000000000000000, -0.0025144900000000 ] - [ 0.0032355300000000, 0.0002232400000000, -0.0004104900000000 ] - [ 0.0032355300000000, -0.0002232400000000, -0.0004104900000000 ] - [ -0.0001815100000000, 0.0000545100000000, -0.0005991400000000 ] - [ -0.0001815100000000, -0.0000545100000000, -0.0005991400000000 ] - [ 0.0499046800000000, 0.0000000000000000, -0.0518732000000000 ] - [ 0.0036808500000000, 0.0000000000000000, 0.0001586000000000 ] - [ 0.0043380200000000, 0.0000000000000000, -0.0019169600000000 ] - [ 0.0043821400000000, 0.0000000000000000, -0.0022078800000000 ] - [ -0.0020510400000000, 0.0139316400000000, 0.0007656800000000 ] - [ -0.0020510400000000, -0.0139316400000000, 0.0007656800000000 ] - [ 0.0001844200000000, 0.0000000000000000, -0.0001467200000000 ] - [ 0.0001831600000000, 0.0000000000000000, -0.0000542300000000 ] - [ 0.0051920200000000, 0.0043909100000000, 0.0033250800000000 ] - [ 0.0051920200000000, -0.0043909100000000, 0.0033250800000000 ] - [ -0.0164944000000000, 0.0000000000000000, 0.0038274600000000 ] - [ 0.0005244500000000, 0.0000000000000000, -0.0003530800000000 ] - [ -0.0011653000000000, 0.0000000000000000, -0.0003222900000000 ] - [ -0.0009127600000000, 0.0000000000000000, -0.0002305300000000 ] - [ -0.0079660300000000, 0.0000000000000000, 0.0101783900000000 ] - [ -0.0001288500000000, 0.0000000000000000, -0.0029394000000000 ] - [ -0.0001349800000000, -0.0000475200000000, -0.0011787800000000 ] - [ -0.0001349800000000, 0.0000475200000000, -0.0011787800000000 ] - [ -0.0052039200000000, 0.0000487800000000, -0.0007810200000000 ] - [ -0.0052039200000000, -0.0000487800000000, -0.0007810200000000 ] - [ -0.0000570000000000, 0.0001316900000000, 0.0029874600000000 ] - [ -0.0000570000000000, -0.0001316900000000, 0.0029874600000000 ] - [ -0.0006678000000000, 0.0000000000000000, -0.0016459200000000 ] - [ -0.0002436600000000, 0.0000000000000000, -0.0002374200000000 ] - [ 0.0048134200000000, 0.0000000000000000, 0.0014850500000000 ] - [ 0.0048474100000000, 0.0000000000000000, 0.0014911200000000 ] - [ 0.0004955700000000, 0.0000000000000000, 0.0004728300000000 ] - [ 0.0005319400000000, 0.0000000000000000, 0.0005955600000000 ] - [ 0.0000321200000000, 0.0011478700000000, 0.0014414400000000 ] - [ 0.0000321200000000, -0.0011478700000000, 0.0014414400000000 ] - [ 0.0014492200000000, -0.0000006100000000, 0.0004002000000000 ] - [ 0.0014492200000000, 0.0000006100000000, 0.0004002000000000 ] - [ -0.0027999400000000, 0.0006615900000000, 0.0004024600000000 ] - [ -0.0027999400000000, -0.0006615900000000, 0.0004024600000000 ] - [ -0.0026317700000000, 0.0000000000000000, 0.0005635700000000 ] - [ -0.0017122800000000, 0.0000000000000000, 0.0001735300000000 ] - [ -0.0001907600000000, 0.0000033300000000, 0.0001296600000000 ] - [ -0.0001907600000000, -0.0000033300000000, 0.0001296600000000 ] - [ 0.0027752300000000, 0.0000000000000000, 0.0004879900000000 ] - [ 0.0028060700000000, 0.0000000000000000, 0.0004391600000000 ] - [ -0.0009919000000000, 0.0000000000000000, 0.0009545300000000 ] - [ -0.0006765200000000, 0.0000000000000000, 0.0005271400000000 ] - [ -0.0035636400000000, 0.0000823800000000, 0.0005377000000000 ] - [ -0.0035636400000000, -0.0000823800000000, 0.0005377000000000 ] - [ 0.0037423400000000, 0.0001458600000000, -0.0011672200000000 ] - [ 0.0037423400000000, -0.0001458600000000, -0.0011672200000000 ] - [ 0.0011614800000000, 0.0000000000000000, 0.0021408800000000 ] - [ 0.0012066800000000, 0.0000000000000000, 0.0021543000000000 ] - [ 0.0002546200000000, 0.0000730300000000, 0.0050583800000000 ] - [ 0.0002546200000000, -0.0000730300000000, 0.0050583800000000 ] - [ 0.0009532000000000, 0.0000000000000000, 0.0003179000000000 ] - [ 0.0011085200000000, 0.0000000000000000, 0.0003119400000000 ] - [ -0.0015304200000000, 0.0000054200000000, -0.0000182400000000 ] - [ -0.0015304200000000, -0.0000054200000000, -0.0000182400000000 ] - [ -0.0025137500000000, -0.0000006300000000, 0.0007696700000000 ] - [ -0.0025137500000000, 0.0000006300000000, 0.0007696700000000 ] - [ -0.0000556400000000, 0.0000367800000000, -0.0025026200000000 ] - [ -0.0000556400000000, -0.0000367800000000, -0.0025026200000000 ] - [ -0.0000774000000000, 0.0000000000000000, -0.0011220700000000 ] - [ -0.0001258100000000, 0.0000000000000000, -0.0006443700000000 ] - [ -0.0025576800000000, 0.0000000000000000, 0.0004943400000000 ] - [ -0.0031472500000000, 0.0000000000000000, 0.0009810300000000 ] - [ -0.0002915600000000, 0.0000000000000000, -0.0003773100000000 ] - [ -0.0002486500000000, 0.0000000000000000, -0.0001981000000000 ]- atom: 57 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0130078500000000, 0.0012876600000000, -0.0140126500000000 ] - [ 0.0130078500000000, -0.0012876600000000, -0.0140126500000000 ] - [ -0.0057478200000000, -0.0000113000000000, 0.0024474800000000 ] - [ -0.0057478200000000, 0.0000113000000000, 0.0024474800000000 ] - [ -0.0014529300000000, 0.0000000000000000, -0.0012245100000000 ] - [ -0.0015100700000000, 0.0000000000000000, -0.0010944400000000 ] - [ 0.0009882700000000, 0.0000000000000000, -0.0016002200000000 ] - [ 0.0013580900000000, 0.0000000000000000, -0.0014607900000000 ] - [ -0.0038263500000000, 0.0000000000000000, -0.0018180600000000 ] - [ -0.0034674000000000, 0.0000000000000000, -0.0008471100000000 ] - [ -0.0035937200000000, 0.0003497900000000, 0.0031698700000000 ] - [ -0.0035937200000000, -0.0003497900000000, 0.0031698700000000 ] - [ -0.0048148500000000, -0.0002293700000000, -0.0022358100000000 ] - [ -0.0048148500000000, 0.0002293700000000, -0.0022358100000000 ] - [ -0.0037041600000000, 0.0000165500000000, -0.0002621600000000 ] - [ -0.0037041600000000, -0.0000165500000000, -0.0002621600000000 ] - [ 0.0018585500000000, 0.0000000000000000, -0.0081403000000000 ] - [ 0.0052604300000000, 0.0000000000000000, -0.0053558300000000 ] - [ 0.0001301200000000, 0.0002913700000000, -0.0007845400000000 ] - [ 0.0001301200000000, -0.0002913700000000, -0.0007845400000000 ] - [ 0.0028917100000000, 0.0000000000000000, -0.0008885100000000 ] - [ 0.0031052100000000, 0.0000000000000000, -0.0007907000000000 ] - [ -0.0018754800000000, 0.0055089900000000, 0.0062511300000000 ] - [ -0.0018754800000000, -0.0055089900000000, 0.0062511300000000 ] - [ -0.0075075700000000, 0.0000000000000000, -0.0020379600000000 ] - [ -0.0019757000000000, 0.0000000000000000, -0.0020480600000000 ] - [ -0.0001860600000000, 0.0000000000000000, -0.0039956200000000 ] - [ -0.0007299900000000, 0.0000000000000000, -0.0017055200000000 ] - [ -0.0026705700000000, 0.0000285200000000, -0.0022190300000000 ] - [ -0.0026705700000000, -0.0000285200000000, -0.0022190300000000 ] - [ -0.0044958000000000, 0.0000000000000000, 0.0026125700000000 ] - [ -0.0043782900000000, 0.0000000000000000, 0.0026141900000000 ] - [ 0.0046613900000000, 0.0004019600000000, 0.0108015500000000 ] - [ 0.0046613900000000, -0.0004019600000000, 0.0108015500000000 ] - [ -0.0016089100000000, 0.0000000000000000, 0.0022448900000000 ] - [ -0.0015073500000000, 0.0000000000000000, 0.0023392400000000 ] - [ 0.0004384500000000, 0.0000788100000000, -0.0001788800000000 ] - [ 0.0004384500000000, -0.0000788100000000, -0.0001788800000000 ] - [ 0.0036777300000000, -0.0003120900000000, 0.0015231300000000 ] - [ 0.0036777300000000, 0.0003120900000000, 0.0015231300000000 ] - [ 0.0017047400000000, 0.0109269700000000, -0.0128736700000000 ] - [ 0.0017047400000000, -0.0109269700000000, -0.0128736700000000 ] - [ 0.0014304700000000, 0.0000000000000000, 0.0016887200000000 ] - [ 0.0013593800000000, 0.0000000000000000, 0.0015521700000000 ] - [ 0.0015302600000000, 0.0000000000000000, 0.0007125600000000 ] - [ 0.0012356800000000, 0.0000000000000000, 0.0003590500000000 ] - [ 0.0006205600000000, 0.0000000000000000, 0.0001608800000000 ] - [ 0.0005884400000000, 0.0000000000000000, 0.0001418300000000 ] - [ 0.0042030900000000, 0.0024016100000000, 0.0035916700000000 ] - [ 0.0042030900000000, -0.0024016100000000, 0.0035916700000000 ] - [ -0.0042731800000000, 0.0000000000000000, 0.0077625800000000 ] - [ -0.0009268700000000, 0.0000000000000000, 0.0023533000000000 ] - [ 0.0032615300000000, -0.0002098700000000, 0.0001121500000000 ] - [ 0.0032615300000000, 0.0002098700000000, 0.0001121500000000 ] - [ -0.0005559000000000, -0.0000553600000000, 0.0008684500000000 ] - [ -0.0005559000000000, 0.0000553600000000, 0.0008684500000000 ] - [ -0.0567882700000000, 0.0000000000000000, 0.0530994100000000 ] - [ -0.0098611000000000, 0.0000000000000000, 0.0010073100000000 ] - [ 0.0035620000000000, 0.0000000000000000, -0.0008686800000000 ] - [ 0.0035135400000000, 0.0000000000000000, -0.0005791800000000 ] - [ 0.0050505800000000, -0.0139686500000000, 0.0038008800000000 ] - [ 0.0050505800000000, 0.0139686500000000, 0.0038008800000000 ] - [ 0.0002337500000000, 0.0000000000000000, 0.0012577800000000 ] - [ 0.0002315000000000, 0.0000000000000000, 0.0011924200000000 ] - [ -0.0022443200000000, -0.0044255300000000, -0.0026808900000000 ] - [ -0.0022443200000000, 0.0044255300000000, -0.0026808900000000 ] - [ 0.0170024000000000, 0.0000000000000000, -0.0037175600000000 ] - [ -0.0000520700000000, 0.0000000000000000, 0.0005166700000000 ] - [ 0.0001839800000000, 0.0000000000000000, 0.0000552600000000 ] - [ -0.0000644800000000, 0.0000000000000000, -0.0000333200000000 ] - [ 0.0083349000000000, 0.0000000000000000, -0.0151428900000000 ] - [ 0.0003087700000000, 0.0000000000000000, -0.0017338300000000 ] - [ -0.0004653600000000, 0.0000477900000000, -0.0012381200000000 ] - [ -0.0004653600000000, -0.0000477900000000, -0.0012381200000000 ] - [ -0.0048612000000000, -0.0000497800000000, -0.0006726100000000 ] - [ -0.0048612000000000, 0.0000497800000000, -0.0006726100000000 ] - [ -0.0003476000000000, -0.0001347200000000, -0.0026266300000000 ] - [ -0.0003476000000000, 0.0001347200000000, -0.0026266300000000 ] - [ 0.0004303400000000, 0.0000000000000000, 0.0024146000000000 ] - [ 0.0000003500000000, 0.0000000000000000, 0.0009862900000000 ] - [ 0.0051386000000000, 0.0000000000000000, 0.0014192500000000 ] - [ 0.0051048400000000, 0.0000000000000000, 0.0014148500000000 ] - [ 0.0007536600000000, 0.0000000000000000, 0.0011996600000000 ] - [ 0.0007187500000000, 0.0000000000000000, 0.0011009500000000 ] - [ 0.0012050400000000, -0.0011518600000000, 0.0003797200000000 ] - [ 0.0012050400000000, 0.0011518600000000, 0.0003797200000000 ] - [ 0.0026835400000000, 0.0000000700000000, -0.0001422000000000 ] - [ 0.0026835400000000, -0.0000000700000000, -0.0001422000000000 ] - [ 0.0030897000000000, -0.0006683400000000, -0.0004289500000000 ] - [ 0.0030897000000000, 0.0006683400000000, -0.0004289500000000 ] - [ 0.0012833100000000, 0.0000000000000000, -0.0004523600000000 ] - [ 0.0003596600000000, 0.0000000000000000, -0.0000670800000000 ] - [ 0.0000553800000000, -0.0000035900000000, -0.0002763400000000 ] - [ 0.0000553800000000, 0.0000035900000000, -0.0002763400000000 ] - [ 0.0037187100000000, 0.0000000000000000, -0.0007908100000000 ] - [ 0.0036868100000000, 0.0000000000000000, -0.0007421400000000 ] - [ 0.0002525000000000, 0.0000000000000000, -0.0006884500000000 ] - [ -0.0000667100000000, 0.0000000000000000, -0.0002596600000000 ] - [ -0.0025499400000000, -0.0000788800000000, 0.0005995800000000 ] - [ -0.0025499400000000, 0.0000788800000000, 0.0005995800000000 ] - [ 0.0041507700000000, -0.0001465600000000, -0.0016227000000000 ] - [ 0.0041507700000000, 0.0001465600000000, -0.0016227000000000 ] - [ 0.0018811400000000, 0.0000000000000000, 0.0023782000000000 ] - [ 0.0018352100000000, 0.0000000000000000, 0.0023648000000000 ] - [ 0.0001600000000000, -0.0000731800000000, -0.0039202700000000 ] - [ 0.0001600000000000, 0.0000731800000000, -0.0039202700000000 ] - [ 0.0020246700000000, 0.0000000000000000, 0.0003326600000000 ] - [ 0.0018668900000000, 0.0000000000000000, 0.0003393100000000 ] - [ 0.0020329900000000, -0.0000053100000000, 0.0001782700000000 ] - [ 0.0020329900000000, 0.0000053100000000, 0.0001782700000000 ] - [ 0.0015252200000000, 0.0000009700000000, -0.0010384500000000 ] - [ 0.0015252200000000, -0.0000009700000000, -0.0010384500000000 ] - [ 0.0002345500000000, -0.0000379700000000, -0.0021930100000000 ] - [ 0.0002345500000000, 0.0000379700000000, -0.0021930100000000 ] - [ -0.0005207700000000, 0.0000000000000000, -0.0012992800000000 ] - [ -0.0004721000000000, 0.0000000000000000, -0.0017830800000000 ] - [ -0.0074966900000000, 0.0000000000000000, -0.0019688900000000 ] - [ -0.0069063100000000, 0.0000000000000000, -0.0024282200000000 ] - [ -0.0001097500000000, 0.0000000000000000, 0.0007404300000000 ] - [ -0.0001521100000000, 0.0000000000000000, 0.0005673500000000 ]- atom: 59 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0021602100000000, 0.0005776300000000, -0.0052020800000000 ] - [ 0.0021602100000000, -0.0005776300000000, -0.0052020800000000 ] - [ -0.0038228000000000, -0.0000140300000000, 0.0026235000000000 ] - [ -0.0038228000000000, 0.0000140300000000, 0.0026235000000000 ] - [ -0.0103852700000000, 0.0000000000000000, 0.0063485400000000 ] - [ 0.0049123400000000, 0.0000000000000000, -0.0022428500000000 ] - [ 0.0012641500000000, 0.0000000000000000, -0.0019404100000000 ] - [ 0.0012987900000000, 0.0000000000000000, -0.0015969900000000 ] - [ -0.0060730900000000, 0.0000000000000000, -0.0031656900000000 ] - [ -0.0048065200000000, 0.0000000000000000, -0.0017156300000000 ] - [ -0.0036983000000000, -0.0000549500000000, -0.0004076800000000 ] - [ -0.0036983000000000, 0.0000549500000000, -0.0004076800000000 ] - [ 0.0044142700000000, -0.0037616300000000, 0.0028105000000000 ] - [ 0.0044142700000000, 0.0037616300000000, 0.0028105000000000 ] - [ -0.0002652300000000, -0.0006029900000000, 0.0074993300000000 ] - [ -0.0002652300000000, 0.0006029900000000, 0.0074993300000000 ] - [ -0.0038094000000000, 0.0000000000000000, -0.0044479000000000 ] - [ -0.0034886100000000, 0.0000000000000000, -0.0041902000000000 ] - [ 0.0258386600000000, -0.0243083200000000, 0.0011011700000000 ] - [ 0.0258386600000000, 0.0243083200000000, 0.0011011700000000 ] - [ 0.0055416800000000, 0.0000000000000000, -0.0102705300000000 ] - [ 0.0052582000000000, 0.0000000000000000, -0.0021930400000000 ] - [ -0.0068945900000000, 0.0001340000000000, 0.0033077000000000 ] - [ -0.0068945900000000, -0.0001340000000000, 0.0033077000000000 ] - [ -0.0029956800000000, 0.0000000000000000, -0.0030227100000000 ] - [ -0.0027330800000000, 0.0000000000000000, -0.0028051300000000 ] - [ -0.0053583600000000, 0.0000000000000000, -0.0027690800000000 ] - [ -0.0050240900000000, 0.0000000000000000, -0.0025280100000000 ] - [ -0.0018035200000000, -0.0004968800000000, 0.0009614500000000 ] - [ -0.0018035200000000, 0.0004968800000000, 0.0009614500000000 ] - [ -0.0067811400000000, 0.0000000000000000, 0.0006755000000000 ] - [ -0.0060173200000000, 0.0000000000000000, 0.0009039000000000 ] - [ 0.0029951500000000, -0.0000288500000000, -0.0015388200000000 ] - [ 0.0029951500000000, 0.0000288500000000, -0.0015388200000000 ] - [ -0.0107650900000000, 0.0000000000000000, 0.0022068000000000 ] - [ -0.0031074300000000, 0.0000000000000000, 0.0022721600000000 ] - [ -0.0006938400000000, 0.0001415100000000, -0.0023313800000000 ] - [ -0.0006938400000000, -0.0001415100000000, -0.0023313800000000 ] - [ 0.0054784700000000, 0.0000719600000000, 0.0017711800000000 ] - [ 0.0054784700000000, -0.0000719600000000, 0.0017711800000000 ] - [ 0.0006501000000000, -0.0000116300000000, 0.0028801200000000 ] - [ 0.0006501000000000, 0.0000116300000000, 0.0028801200000000 ] - [ 0.0049240600000000, 0.0000000000000000, -0.0095404800000000 ] - [ -0.0003236500000000, 0.0000000000000000, 0.0000355200000000 ] - [ 0.0040598500000000, 0.0000000000000000, 0.0004826500000000 ] - [ 0.0036259200000000, 0.0000000000000000, 0.0003536100000000 ] - [ 0.0237739400000000, 0.0000000000000000, -0.0035435600000000 ] - [ 0.0006287100000000, 0.0000000000000000, 0.0001998000000000 ] - [ -0.0054535300000000, -0.0010639600000000, 0.0035575300000000 ] - [ -0.0054535300000000, 0.0010639600000000, 0.0035575300000000 ] - [ 0.0002710000000000, 0.0000000000000000, 0.0018356900000000 ] - [ 0.0002235400000000, 0.0000000000000000, 0.0016286900000000 ] - [ 0.0036135900000000, 0.0004594300000000, 0.0003516700000000 ] - [ 0.0036135900000000, -0.0004594300000000, 0.0003516700000000 ] - [ 0.0044405500000000, 0.0219049600000000, -0.0030382200000000 ] - [ 0.0044405500000000, -0.0219049600000000, -0.0030382200000000 ] - [ -0.0019291100000000, 0.0000000000000000, 0.0016764200000000 ] - [ -0.0022508000000000, 0.0000000000000000, 0.0015441300000000 ] - [ -0.0799428600000000, 0.0000000000000000, 0.0037432800000000 ] - [ -0.0054085800000000, 0.0000000000000000, 0.0003090900000000 ] - [ 0.0021920300000000, -0.0000783700000000, 0.0029485600000000 ] - [ 0.0021920300000000, 0.0000783700000000, 0.0029485600000000 ] - [ 0.0062836100000000, 0.0000000000000000, 0.0171549100000000 ] - [ -0.0008819300000000, 0.0000000000000000, 0.0031931600000000 ] - [ 0.0072288100000000, -0.0068879700000000, 0.0017700000000000 ] - [ 0.0072288100000000, 0.0068879700000000, 0.0017700000000000 ] - [ 0.0024490000000000, 0.0000000000000000, 0.0002701200000000 ] - [ 0.0022211700000000, 0.0000000000000000, 0.0002546100000000 ] - [ 0.0012412500000000, 0.0000000000000000, 0.0012557500000000 ] - [ -0.0004239500000000, 0.0000000000000000, 0.0001919100000000 ] - [ 0.0014755200000000, 0.0000000000000000, -0.0015130200000000 ] - [ 0.0014582600000000, 0.0000000000000000, -0.0017049300000000 ] - [ -0.0026220200000000, -0.0029479000000000, -0.0124834900000000 ] - [ -0.0026220200000000, 0.0029479000000000, -0.0124834900000000 ] - [ -0.0066887900000000, 0.0012825400000000, -0.0001210300000000 ] - [ -0.0066887900000000, -0.0012825400000000, -0.0001210300000000 ] - [ 0.0002846200000000, -0.0000700600000000, -0.0011026400000000 ] - [ 0.0002846200000000, 0.0000700600000000, -0.0011026400000000 ] - [ 0.0002705400000000, 0.0000000000000000, 0.0019623900000000 ] - [ 0.0001527000000000, 0.0000000000000000, 0.0015632900000000 ] - [ 0.0020343200000000, 0.0000000000000000, 0.0006882400000000 ] - [ 0.0033626500000000, 0.0000000000000000, 0.0001058300000000 ] - [ 0.0003640300000000, 0.0000000000000000, 0.0029314000000000 ] - [ 0.0005021800000000, 0.0000000000000000, 0.0014815500000000 ] - [ 0.0011029800000000, 0.0000699800000000, 0.0012333100000000 ] - [ 0.0011029800000000, -0.0000699800000000, 0.0012333100000000 ] - [ 0.0019599700000000, -0.0000686700000000, -0.0006016600000000 ] - [ 0.0019599700000000, 0.0000686700000000, -0.0006016600000000 ] - [ 0.0030474600000000, 0.0000086300000000, 0.0001958700000000 ] - [ 0.0030474600000000, -0.0000086300000000, 0.0001958700000000 ] - [ 0.0008254900000000, 0.0000000000000000, 0.0002679800000000 ] - [ 0.0005669500000000, 0.0000000000000000, 0.0002606300000000 ] - [ -0.0003583400000000, 0.0000870500000000, -0.0033110100000000 ] - [ -0.0003583400000000, -0.0000870500000000, -0.0033110100000000 ] - [ 0.0033332000000000, 0.0000000000000000, -0.0008119800000000 ] - [ 0.0033101500000000, 0.0000000000000000, -0.0007691200000000 ] - [ 0.0006036300000000, 0.0000000000000000, 0.0004196700000000 ] - [ 0.0004754300000000, 0.0000000000000000, 0.0004007500000000 ] - [ -0.0028919400000000, 0.0002467400000000, 0.0004279500000000 ] - [ -0.0028919400000000, -0.0002467400000000, 0.0004279500000000 ] - [ 0.0047076600000000, 0.0001635400000000, -0.0012953800000000 ] - [ 0.0047076600000000, -0.0001635400000000, -0.0012953800000000 ] - [ 0.0019209600000000, 0.0000000000000000, 0.0013804900000000 ] - [ 0.0017067700000000, 0.0000000000000000, 0.0018164700000000 ] - [ 0.0005072200000000, 0.0000072700000000, 0.0008463100000000 ] - [ 0.0005072200000000, -0.0000072700000000, 0.0008463100000000 ] - [ 0.0049118100000000, 0.0000000000000000, -0.0000316700000000 ] - [ 0.0034683200000000, 0.0000000000000000, 0.0004554500000000 ] - [ 0.0004131800000000, 0.0004206600000000, -0.0006603800000000 ] - [ 0.0004131800000000, -0.0004206600000000, -0.0006603800000000 ] - [ -0.0005230900000000, 0.0000025200000000, -0.0002351300000000 ] - [ -0.0005230900000000, -0.0000025200000000, -0.0002351300000000 ] - [ 0.0007709100000000, 0.0018614100000000, -0.0033641100000000 ] - [ 0.0007709100000000, -0.0018614100000000, -0.0033641100000000 ] - [ -0.0000096300000000, 0.0000000000000000, -0.0000216200000000 ] - [ -0.0000772500000000, 0.0000000000000000, -0.0002379900000000 ] - [ -0.0044695800000000, 0.0000000000000000, -0.0004792900000000 ] - [ -0.0045265300000000, 0.0000000000000000, -0.0004966600000000 ] - [ 0.0005967300000000, 0.0000000000000000, 0.0033727800000000 ] - [ 0.0000924200000000, 0.0000000000000000, 0.0012091000000000 ]- atom: 59 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0022622000000000, -0.0005805100000000, 0.0028676700000000 ] - [ 0.0022622000000000, 0.0005805100000000, 0.0028676700000000 ] - [ -0.0031984000000000, 0.0000090600000000, -0.0027424200000000 ] - [ -0.0031984000000000, -0.0000090600000000, -0.0027424200000000 ] - [ 0.0060659200000000, 0.0000000000000000, -0.0066921200000000 ] - [ -0.0076445700000000, 0.0000000000000000, 0.0021606300000000 ] - [ 0.0031228500000000, 0.0000000000000000, -0.0004010100000000 ] - [ 0.0030903400000000, 0.0000000000000000, -0.0007655000000000 ] - [ -0.0009245800000000, 0.0000000000000000, 0.0030901700000000 ] - [ -0.0022174700000000, 0.0000000000000000, 0.0016138300000000 ] - [ 0.0010276900000000, 0.0000565500000000, 0.0003401500000000 ] - [ 0.0010276900000000, -0.0000565500000000, 0.0003401500000000 ] - [ -0.0055388700000000, 0.0037803900000000, -0.0064617100000000 ] - [ -0.0055388700000000, -0.0037803900000000, -0.0064617100000000 ] - [ -0.0063320800000000, 0.0006087700000000, -0.0092036700000000 ] - [ -0.0063320800000000, -0.0006087700000000, -0.0092036700000000 ] - [ 0.0014786000000000, 0.0000000000000000, 0.0000628500000000 ] - [ 0.0011577700000000, 0.0000000000000000, -0.0001939500000000 ] - [ -0.0340283700000000, 0.0239776300000000, 0.0025961300000000 ] - [ -0.0340283700000000, -0.0239776300000000, 0.0025961300000000 ] - [ 0.0016350600000000, 0.0000000000000000, 0.0098592200000000 ] - [ 0.0019248200000000, 0.0000000000000000, 0.0016211800000000 ] - [ 0.0051289700000000, -0.0001401500000000, 0.0020775900000000 ] - [ 0.0051289700000000, 0.0001401500000000, 0.0020775900000000 ] - [ 0.0019655700000000, 0.0000000000000000, -0.0006175000000000 ] - [ 0.0017002600000000, 0.0000000000000000, -0.0008349800000000 ] - [ -0.0011772600000000, 0.0000000000000000, 0.0011929300000000 ] - [ -0.0015180900000000, 0.0000000000000000, 0.0009483000000000 ] - [ -0.0005700300000000, 0.0005045400000000, -0.0053947800000000 ] - [ -0.0005700300000000, -0.0005045400000000, -0.0053947800000000 ] - [ -0.0010041400000000, 0.0000000000000000, 0.0030573400000000 ] - [ -0.0017792400000000, 0.0000000000000000, 0.0028271100000000 ] - [ 0.0042141400000000, 0.0000288000000000, 0.0009961400000000 ] - [ 0.0042141400000000, -0.0000288000000000, 0.0009961400000000 ] - [ 0.0091192200000000, 0.0000000000000000, 0.0031906300000000 ] - [ 0.0013102300000000, 0.0000000000000000, 0.0031211000000000 ] - [ 0.0004592500000000, -0.0001434900000000, 0.0031018800000000 ] - [ 0.0004592500000000, 0.0001434900000000, 0.0031018800000000 ] - [ 0.0044662600000000, -0.0000744200000000, 0.0011322500000000 ] - [ 0.0044662600000000, 0.0000744200000000, 0.0011322500000000 ] - [ 0.0005969100000000, 0.0000111600000000, -0.0012390700000000 ] - [ 0.0005969100000000, -0.0000111600000000, -0.0012390700000000 ] - [ -0.0037386500000000, 0.0000000000000000, 0.0115263400000000 ] - [ 0.0015722400000000, 0.0000000000000000, 0.0017878000000000 ] - [ 0.0000549700000000, 0.0000000000000000, -0.0002255400000000 ] - [ 0.0004876000000000, 0.0000000000000000, -0.0000950200000000 ] - [ -0.0239877900000000, 0.0000000000000000, 0.0035948900000000 ] - [ -0.0003269900000000, 0.0000000000000000, -0.0002285500000000 ] - [ 0.0041129100000000, 0.0011164400000000, -0.0035250400000000 ] - [ 0.0041129100000000, -0.0011164400000000, -0.0035250400000000 ] - [ -0.0004092200000000, 0.0000000000000000, -0.0019988600000000 ] - [ -0.0003613200000000, 0.0000000000000000, -0.0017869700000000 ] - [ 0.0028805500000000, -0.0004505800000000, -0.0006558300000000 ] - [ 0.0028805500000000, 0.0004505800000000, -0.0006558300000000 ] - [ -0.0051593400000000, -0.0221046200000000, 0.0033534400000000 ] - [ -0.0051593400000000, 0.0221046200000000, 0.0033534400000000 ] - [ -0.0042072500000000, 0.0000000000000000, -0.0005452500000000 ] - [ -0.0038851100000000, 0.0000000000000000, -0.0004091500000000 ] - [ 0.0906710400000000, 0.0000000000000000, -0.0063418000000000 ] - [ 0.0133891200000000, 0.0000000000000000, -0.0030934900000000 ] - [ 0.0008364500000000, 0.0000777200000000, 0.0015706300000000 ] - [ 0.0008364500000000, -0.0000777200000000, 0.0015706300000000 ] - [ -0.0059331700000000, 0.0000000000000000, -0.0164077600000000 ] - [ 0.0013078400000000, 0.0000000000000000, -0.0020659500000000 ] - [ -0.0042123300000000, 0.0068213100000000, -0.0010945800000000 ] - [ -0.0042123300000000, -0.0068213100000000, -0.0010945800000000 ] - [ -0.0019768800000000, 0.0000000000000000, -0.0001112400000000 ] - [ -0.0017471900000000, 0.0000000000000000, -0.0000953000000000 ] - [ -0.0022585600000000, 0.0000000000000000, -0.0015441600000000 ] - [ -0.0005456200000000, 0.0000000000000000, -0.0004574400000000 ] - [ -0.0013056100000000, 0.0000000000000000, -0.0031787500000000 ] - [ -0.0012844400000000, 0.0000000000000000, -0.0029912700000000 ] - [ 0.0019829200000000, 0.0030157900000000, 0.0101844200000000 ] - [ 0.0019829200000000, -0.0030157900000000, 0.0101844200000000 ] - [ -0.0033554100000000, -0.0013080000000000, -0.0013379300000000 ] - [ -0.0033554100000000, 0.0013080000000000, -0.0013379300000000 ] - [ -0.0006873200000000, 0.0000697500000000, 0.0014701400000000 ] - [ -0.0006873200000000, -0.0000697500000000, 0.0014701400000000 ] - [ -0.0005155500000000, 0.0000000000000000, -0.0012187900000000 ] - [ -0.0003977700000000, 0.0000000000000000, -0.0008260100000000 ] - [ 0.0079547000000000, 0.0000000000000000, 0.0022277300000000 ] - [ 0.0066106800000000, 0.0000000000000000, 0.0028173200000000 ] - [ 0.0008874600000000, 0.0000000000000000, -0.0012981000000000 ] - [ 0.0007492600000000, 0.0000000000000000, 0.0002090700000000 ] - [ 0.0001307500000000, -0.0000735700000000, 0.0005797200000000 ] - [ 0.0001307500000000, 0.0000735700000000, 0.0005797200000000 ] - [ 0.0021742400000000, 0.0000661500000000, 0.0008688700000000 ] - [ 0.0021742400000000, -0.0000661500000000, 0.0008688700000000 ] - [ -0.0027896200000000, -0.0000080800000000, -0.0002271600000000 ] - [ -0.0027896200000000, 0.0000080800000000, -0.0002271600000000 ] - [ -0.0021825000000000, 0.0000000000000000, -0.0001610900000000 ] - [ -0.0019273700000000, 0.0000000000000000, -0.0001574300000000 ] - [ 0.0002272600000000, -0.0000881400000000, 0.0032009100000000 ] - [ 0.0002272600000000, 0.0000881400000000, 0.0032009100000000 ] - [ 0.0031612600000000, 0.0000000000000000, 0.0005146000000000 ] - [ 0.0031837000000000, 0.0000000000000000, 0.0004712800000000 ] - [ -0.0013578000000000, 0.0000000000000000, -0.0001578300000000 ] - [ -0.0012280100000000, 0.0000000000000000, -0.0001388000000000 ] - [ -0.0032212600000000, -0.0002481100000000, 0.0007104900000000 ] - [ -0.0032212600000000, 0.0002481100000000, 0.0007104900000000 ] - [ 0.0031764800000000, -0.0001669700000000, -0.0014970700000000 ] - [ 0.0031764800000000, 0.0001669700000000, -0.0014970700000000 ] - [ 0.0011179400000000, 0.0000000000000000, 0.0031535500000000 ] - [ 0.0013340600000000, 0.0000000000000000, 0.0027094300000000 ] - [ -0.0000965800000000, -0.0000077000000000, 0.0002803400000000 ] - [ -0.0000965800000000, 0.0000077000000000, 0.0002803400000000 ] - [ -0.0019798000000000, 0.0000000000000000, 0.0006909600000000 ] - [ -0.0005118800000000, 0.0000000000000000, 0.0001959100000000 ] - [ 0.0001000300000000, -0.0004243400000000, 0.0008237800000000 ] - [ 0.0001000300000000, 0.0004243400000000, 0.0008237800000000 ] - [ -0.0004637000000000, -0.0000024300000000, -0.0000315900000000 ] - [ -0.0004637000000000, 0.0000024300000000, -0.0000315900000000 ] - [ -0.0005984000000000, -0.0018988700000000, -0.0013168500000000 ] - [ -0.0005984000000000, 0.0018988700000000, -0.0013168500000000 ] - [ -0.0005947400000000, 0.0000000000000000, -0.0024169700000000 ] - [ -0.0005249600000000, 0.0000000000000000, -0.0021983800000000 ] - [ -0.0056031100000000, 0.0000000000000000, -0.0009766800000000 ] - [ -0.0055436200000000, 0.0000000000000000, -0.0009594300000000 ] - [ -0.0010086100000000, 0.0000000000000000, -0.0030635500000000 ] - [ -0.0004943000000000, 0.0000000000000000, -0.0008432900000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0096417700000000, 0.0000368800000000, 0.0074770600000000 ] - [ -0.0051909400000000, 0.0000834900000000, -0.0099170700000000 ] - [ -0.0012608200000000, 0.0000077000000000, -0.0000145600000000 ] - [ -0.0057889900000000, 0.0000026200000000, -0.0000246900000000 ] - [ -0.0018904400000000, 0.0186203900000000, 0.0000092400000000 ] - [ -0.0013239700000000, -0.0136207400000000, -0.0000399300000000 ] - [ 0.0021873700000000, 0.0003431300000000, -0.0011963600000000 ] - [ 0.0021876400000000, -0.0003625900000000, -0.0011875100000000 ] - [ -0.0035369700000000, 0.0000332200000000, -0.0000877400000000 ] - [ -0.0035146000000000, -0.0000359300000000, -0.0000708200000000 ] - [ -0.0003934600000000, -0.0000020200000000, 0.0000621000000000 ] - [ -0.0023654600000000, 0.0000000300000000, -0.0001274000000000 ] - [ -0.0077426100000000, -0.0003908200000000, 0.0028070600000000 ] - [ 0.0067088100000000, -0.0002447100000000, -0.0063841400000000 ] - [ -0.0068985000000000, 0.0005806600000000, -0.0242597300000000 ] - [ 0.0003567200000000, 0.0006224400000000, 0.0229401300000000 ] - [ -0.0011912400000000, 0.0022409200000000, -0.0022371300000000 ] - [ -0.0012010200000000, -0.0022436100000000, -0.0022377100000000 ] - [ -0.0390933300000000, 0.0415193800000000, 0.0046896400000000 ] - [ 0.0333701600000000, 0.0487918000000000, -0.0011397100000000 ] - [ 0.0036257800000000, 0.0016981400000000, -0.0004274800000000 ] - [ 0.0036314400000000, -0.0019076400000000, -0.0002872500000000 ] - [ 0.0126085500000000, -0.0000860700000000, 0.0024871200000000 ] - [ -0.0145861500000000, -0.0000729800000000, 0.0029548700000000 ] - [ -0.0005408900000000, 0.0001698200000000, -0.0018546400000000 ] - [ -0.0005396300000000, -0.0001712200000000, -0.0018515200000000 ] - [ -0.0033205400000000, 0.0003014900000000, -0.0008108800000000 ] - [ -0.0033163600000000, -0.0003004600000000, -0.0008107100000000 ] - [ -0.0024495700000000, -0.0000338700000000, -0.0031323800000000 ] - [ 0.0000428800000000, -0.0000214200000000, -0.0011979700000000 ] - [ -0.0039396100000000, 0.0001807700000000, 0.0018599000000000 ] - [ -0.0039311100000000, -0.0001817400000000, 0.0018629300000000 ] - [ 0.0043975000000000, 0.0000027800000000, 0.0012878000000000 ] - [ 0.0027972300000000, 0.0000039300000000, -0.0018468300000000 ] - [ -0.0009913100000000, 0.0003880200000000, 0.0027039800000000 ] - [ -0.0008941000000000, -0.0004469900000000, 0.0027017900000000 ] - [ 0.0001090600000000, -0.0001481300000000, -0.0012965100000000 ] - [ -0.0003448400000000, -0.0001545200000000, 0.0019899600000000 ] - [ 0.0047500600000000, 0.0000019400000000, 0.0013977400000000 ] - [ 0.0052156800000000, -0.0000011000000000, 0.0015125900000000 ] - [ 0.0000048600000000, -0.0000472800000000, -0.0023414500000000 ] - [ 0.0012450900000000, -0.0000498600000000, 0.0040610200000000 ] - [ 0.0006845100000000, -0.0043921500000000, 0.0008086800000000 ] - [ 0.0006322800000000, 0.0059290400000000, 0.0009140500000000 ] - [ 0.0020909600000000, -0.0000118100000000, 0.0001308900000000 ] - [ 0.0020834100000000, 0.0000138000000000, 0.0001296900000000 ] - [ 0.0003622000000000, -0.0002688700000000, -0.0000487400000000 ] - [ 0.0001172100000000, 0.0010342200000000, -0.0000149400000000 ] - [ -0.0009088900000000, 0.0076939900000000, -0.0155200900000000 ] - [ -0.0005178600000000, 0.0076433000000000, 0.0157536500000000 ] - [ -0.0000719500000000, -0.0001833200000000, -0.0000520200000000 ] - [ -0.0000707200000000, 0.0001816100000000, -0.0000502700000000 ] - [ 0.0032590300000000, 0.0000147900000000, -0.0001434200000000 ] - [ 0.0032496000000000, -0.0000086500000000, -0.0001484100000000 ] - [ 0.0221940700000000, 0.0242940900000000, -0.0026446900000000 ] - [ -0.0232982700000000, 0.0243299400000000, 0.0029373100000000 ] - [ -0.0030770100000000, -0.0049738300000000, 0.0005690300000000 ] - [ -0.0030630500000000, 0.0054592300000000, 0.0005811200000000 ] - [ 0.0021490300000000, -0.2738014700000000, -0.0010632200000000 ] - [ 0.0038047200000000, 0.0867594200000000, -0.0013745300000000 ] - [ -0.0001888700000000, 0.0000059600000000, 0.0011604400000000 ] - [ 0.0032462200000000, 0.0000010800000000, 0.0033844000000000 ] - [ 0.0003089700000000, -0.0030238500000000, 0.0007369300000000 ] - [ 0.0002002100000000, 0.0012704800000000, 0.0005559300000000 ] - [ -0.0251336000000000, 0.0022945000000000, -0.0055040600000000 ] - [ 0.0286291000000000, 0.0022138600000000, 0.0062887000000000 ] - [ 0.0002620600000000, -0.0001956000000000, 0.0000807000000000 ] - [ 0.0002649000000000, 0.0002047100000000, 0.0000802500000000 ] - [ -0.0004714800000000, -0.0000033100000000, -0.0001105800000000 ] - [ -0.0005006900000000, 0.0000672300000000, -0.0001282800000000 ] - [ 0.0001089300000000, -0.0055082800000000, -0.0023367000000000 ] - [ 0.0001108300000000, 0.0057634200000000, -0.0023365200000000 ] - [ -0.0035270600000000, 0.0112247800000000, 0.0400300900000000 ] - [ 0.0029262800000000, 0.0111484000000000, -0.0431379900000000 ] - [ -0.0037463800000000, 0.0001761100000000, -0.0001388800000000 ] - [ -0.0063655400000000, 0.0001294000000000, -0.0013013900000000 ] - [ -0.0011673900000000, 0.0000177400000000, 0.0008683800000000 ] - [ 0.0007766200000000, 0.0000136700000000, -0.0005473300000000 ] - [ -0.0001105200000000, -0.0000086500000000, 0.0004023000000000 ] - [ -0.0001122200000000, 0.0000083100000000, 0.0003947900000000 ] - [ 0.0049471100000000, -0.0100778600000000, 0.0014513600000000 ] - [ 0.0049533800000000, 0.0094314500000000, 0.0014376800000000 ] - [ 0.0006210300000000, -0.0002180300000000, 0.0008796000000000 ] - [ 0.0006224000000000, 0.0002190700000000, 0.0008571600000000 ] - [ 0.0005663100000000, 0.0000024500000000, 0.0008001700000000 ] - [ 0.0006904700000000, -0.0000002100000000, 0.0010401600000000 ] - [ -0.0007656900000000, -0.0002765600000000, 0.0017552500000000 ] - [ 0.0049432300000000, -0.0002871700000000, -0.0015223300000000 ] - [ -0.0021643600000000, 0.0000356100000000, -0.0006661100000000 ] - [ 0.0025168900000000, 0.0000345100000000, 0.0006424200000000 ] - [ -0.0006634500000000, -0.0000363900000000, 0.0000518600000000 ] - [ -0.0006684900000000, 0.0000403700000000, 0.0000504300000000 ] - [ 0.0005956900000000, 0.0000577200000000, 0.0024547800000000 ] - [ -0.0007496800000000, 0.0000569300000000, -0.0027029200000000 ] - [ 0.0032532300000000, -0.0017534300000000, -0.0001590800000000 ] - [ 0.0032537000000000, 0.0017429800000000, -0.0001592800000000 ] - [ -0.0003605600000000, -0.0003289300000000, 0.0001382000000000 ] - [ -0.0003618700000000, 0.0003346800000000, 0.0001379000000000 ] - [ -0.0026817900000000, 0.0000213200000000, 0.0006174000000000 ] - [ -0.0034343900000000, 0.0000110500000000, 0.0005187200000000 ] - [ 0.0037972700000000, 0.0000036800000000, -0.0014241900000000 ] - [ 0.0041224700000000, 0.0000000900000000, -0.0013604000000000 ] - [ 0.0015280200000000, -0.0006378100000000, 0.0022509400000000 ] - [ 0.0015259800000000, 0.0006485400000000, 0.0022554300000000 ] - [ 0.0000232200000000, 0.0000001900000000, 0.0004058500000000 ] - [ 0.0004031300000000, -0.0000000900000000, 0.0006844400000000 ] - [ 0.0015171000000000, -0.0000502800000000, 0.0003210000000000 ] - [ 0.0015010100000000, 0.0000672000000000, 0.0003249600000000 ] - [ 0.0017730400000000, 0.0001224800000000, -0.0000732300000000 ] - [ -0.0012315500000000, 0.0001092400000000, 0.0002173100000000 ] - [ -0.0009071000000000, 0.0000011700000000, -0.0002920100000000 ] - [ -0.0000762100000000, 0.0000001500000000, 0.0000264800000000 ] - [ 0.0002218000000000, 0.0000636700000000, -0.0020275300000000 ] - [ -0.0000308700000000, 0.0000165800000000, -0.0026930800000000 ] - [ -0.0003008600000000, -0.0000418700000000, -0.0012060100000000 ] - [ -0.0003015600000000, 0.0000446600000000, -0.0012078300000000 ] - [ -0.0050263900000000, -0.0008707300000000, -0.0007259200000000 ] - [ -0.0050276700000000, 0.0008667200000000, -0.0007259000000000 ] - [ -0.0001902900000000, 0.0000060000000000, 0.0002097000000000 ] - [ -0.0001975000000000, 0.0000216600000000, 0.0001885700000000 ]- atom: 59 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0011706000000000, 0.0001854300000000, 0.0001028900000000 ] - [ -0.0011706000000000, -0.0001854300000000, 0.0001028900000000 ] - [ -0.0016452200000000, 0.0000086800000000, -0.0024770000000000 ] - [ -0.0016452200000000, -0.0000086800000000, -0.0024770000000000 ] - [ 0.0025246900000000, 0.0000000000000000, 0.0072792400000000 ] - [ -0.0053427000000000, 0.0000000000000000, 0.0027741300000000 ] - [ 0.0025574200000000, 0.0000000000000000, -0.0016364700000000 ] - [ 0.0025276300000000, 0.0000000000000000, -0.0016449900000000 ] - [ -0.0035551400000000, 0.0000000000000000, 0.0011633600000000 ] - [ -0.0036033700000000, 0.0000000000000000, 0.0005627600000000 ] - [ -0.0001486300000000, 0.0000198400000000, -0.0001647800000000 ] - [ -0.0001486300000000, -0.0000198400000000, -0.0001647800000000 ] - [ 0.0011178700000000, 0.0042544100000000, -0.0047230800000000 ] - [ 0.0011178700000000, -0.0042544100000000, -0.0047230800000000 ] - [ -0.0041450200000000, 0.0003219900000000, -0.0100431600000000 ] - [ -0.0041450200000000, -0.0003219900000000, -0.0100431600000000 ] - [ -0.0013319600000000, 0.0000000000000000, -0.0008609100000000 ] - [ -0.0011719900000000, 0.0000000000000000, -0.0009928800000000 ] - [ -0.0195417400000000, 0.0183370400000000, 0.0123588800000000 ] - [ -0.0195417400000000, -0.0183370400000000, 0.0123588800000000 ] - [ 0.0012088300000000, 0.0000000000000000, 0.0013124700000000 ] - [ 0.0016054800000000, 0.0000000000000000, 0.0004750600000000 ] - [ 0.0029022500000000, -0.0001920900000000, 0.0028767500000000 ] - [ 0.0029022500000000, 0.0001920900000000, 0.0028767500000000 ] - [ 0.0000195900000000, 0.0000000000000000, -0.0015375000000000 ] - [ -0.0000229500000000, 0.0000000000000000, -0.0015724500000000 ] - [ -0.0028824300000000, 0.0000000000000000, -0.0003390700000000 ] - [ -0.0029976600000000, 0.0000000000000000, -0.0003859700000000 ] - [ 0.0007717200000000, 0.0002315100000000, -0.0046909200000000 ] - [ 0.0007717200000000, -0.0002315100000000, -0.0046909200000000 ] - [ -0.0028605100000000, 0.0000000000000000, 0.0020989800000000 ] - [ -0.0031292700000000, 0.0000000000000000, 0.0020367900000000 ] - [ 0.0038229200000000, 0.0000109500000000, -0.0010430000000000 ] - [ 0.0038229200000000, -0.0000109500000000, -0.0010430000000000 ] - [ 0.0033782300000000, 0.0000000000000000, 0.0032002700000000 ] - [ 0.0002902900000000, 0.0000000000000000, 0.0030147200000000 ] - [ -0.0000749600000000, -0.0000760000000000, 0.0030305100000000 ] - [ -0.0000749600000000, 0.0000760000000000, 0.0030305100000000 ] - [ 0.0048922500000000, -0.0000316700000000, 0.0014153300000000 ] - [ 0.0048922500000000, 0.0000316700000000, 0.0014153300000000 ] - [ 0.0007917500000000, 0.0000199700000000, 0.0012212400000000 ] - [ 0.0007917500000000, -0.0000199700000000, 0.0012212400000000 ] - [ -0.0072561200000000, 0.0000000000000000, 0.0115973600000000 ] - [ -0.0000063800000000, 0.0000000000000000, 0.0003880800000000 ] - [ 0.0017006000000000, 0.0000000000000000, 0.0000061800000000 ] - [ 0.0018153000000000, 0.0000000000000000, 0.0000544500000000 ] - [ -0.0096072500000000, 0.0000000000000000, 0.0015804800000000 ] - [ -0.0002375200000000, 0.0000000000000000, -0.0003376600000000 ] - [ 0.0024828600000000, -0.0057799400000000, 0.0035645600000000 ] - [ 0.0024828600000000, 0.0057799400000000, 0.0035645600000000 ] - [ -0.0000476100000000, 0.0000000000000000, -0.0006608000000000 ] - [ -0.0000662900000000, 0.0000000000000000, -0.0006303400000000 ] - [ 0.0032591700000000, -0.0001063700000000, -0.0003375500000000 ] - [ 0.0032591700000000, 0.0001063700000000, -0.0003375500000000 ] - [ -0.0037399900000000, -0.0125234400000000, -0.0021511000000000 ] - [ -0.0037399900000000, 0.0125234400000000, -0.0021511000000000 ] - [ -0.0025038100000000, 0.0000000000000000, 0.0001434500000000 ] - [ -0.0025028300000000, 0.0000000000000000, -0.0001740100000000 ] - [ 0.0515691200000000, 0.0000000000000000, -0.0481756700000000 ] - [ 0.0101757600000000, 0.0000000000000000, -0.0000183400000000 ] - [ 0.0016314400000000, -0.0000340300000000, 0.0016410600000000 ] - [ 0.0016314400000000, 0.0000340300000000, 0.0016410600000000 ] - [ 0.0043146000000000, 0.0000000000000000, -0.0038716200000000 ] - [ 0.0010759200000000, 0.0000000000000000, -0.0017822700000000 ] - [ -0.0024450900000000, 0.0024595600000000, -0.0021390400000000 ] - [ -0.0024450900000000, -0.0024595600000000, -0.0021390400000000 ] - [ -0.0000078500000000, 0.0000000000000000, -0.0000909400000000 ] - [ -0.0000215200000000, 0.0000000000000000, -0.0000746200000000 ] - [ 0.0001725400000000, 0.0000000000000000, -0.0003568500000000 ] - [ 0.0001296600000000, 0.0000000000000000, -0.0002706400000000 ] - [ -0.0007067900000000, 0.0000000000000000, -0.0030434100000000 ] - [ -0.0006479600000000, 0.0000000000000000, -0.0029247300000000 ] - [ -0.0017121000000000, 0.0104220200000000, 0.0101029800000000 ] - [ -0.0017121000000000, -0.0104220200000000, 0.0101029800000000 ] - [ -0.0039194900000000, -0.0001184700000000, -0.0007141800000000 ] - [ -0.0039194900000000, 0.0001184700000000, -0.0007141800000000 ] - [ -0.0007235600000000, 0.0000622100000000, 0.0007395400000000 ] - [ -0.0007235600000000, -0.0000622100000000, 0.0007395400000000 ] - [ -0.0001638200000000, 0.0000000000000000, 0.0000097200000000 ] - [ -0.0001605400000000, 0.0000000000000000, 0.0000874700000000 ] - [ 0.0067879600000000, 0.0000000000000000, 0.0025607200000000 ] - [ 0.0064102000000000, 0.0000000000000000, 0.0028871100000000 ] - [ 0.0008382000000000, 0.0000000000000000, 0.0010780300000000 ] - [ 0.0007797100000000, 0.0000000000000000, 0.0013157300000000 ] - [ 0.0004882600000000, -0.0000203400000000, 0.0008038400000000 ] - [ 0.0004882600000000, 0.0000203400000000, 0.0008038400000000 ] - [ 0.0003485400000000, 0.0000138000000000, 0.0009836200000000 ] - [ 0.0003485400000000, -0.0000138000000000, 0.0009836200000000 ] - [ -0.0015408000000000, -0.0000145500000000, -0.0001575700000000 ] - [ -0.0015408000000000, 0.0000145500000000, -0.0001575700000000 ] - [ -0.0010361600000000, 0.0000000000000000, 0.0000713300000000 ] - [ -0.0009753200000000, 0.0000000000000000, 0.0000541300000000 ] - [ 0.0000194500000000, -0.0000717700000000, 0.0032429800000000 ] - [ 0.0000194500000000, 0.0000717700000000, 0.0032429800000000 ] - [ 0.0028450600000000, 0.0000000000000000, 0.0004611500000000 ] - [ 0.0028629600000000, 0.0000000000000000, 0.0004280200000000 ] - [ -0.0007412700000000, 0.0000000000000000, 0.0000508400000000 ] - [ -0.0006995600000000, 0.0000000000000000, 0.0000548500000000 ] - [ -0.0033662700000000, -0.0000673100000000, 0.0007378100000000 ] - [ -0.0033662700000000, 0.0000673100000000, 0.0007378100000000 ] - [ 0.0036475500000000, -0.0000555700000000, -0.0014051200000000 ] - [ 0.0036475500000000, 0.0000555700000000, -0.0014051200000000 ] - [ 0.0011408900000000, 0.0000000000000000, 0.0026423300000000 ] - [ 0.0012878000000000, 0.0000000000000000, 0.0024592100000000 ] - [ 0.0000907900000000, -0.0000035600000000, 0.0009678400000000 ] - [ 0.0000907900000000, 0.0000035600000000, 0.0009678400000000 ] - [ 0.0002016900000000, 0.0000000000000000, 0.0005411500000000 ] - [ 0.0007043500000000, 0.0000000000000000, 0.0003526100000000 ] - [ -0.0023494800000000, -0.0004455700000000, 0.0003843900000000 ] - [ -0.0023494800000000, 0.0004455700000000, 0.0003843900000000 ] - [ -0.0009511300000000, 0.0000000300000000, 0.0001040000000000 ] - [ -0.0009511300000000, -0.0000000300000000, 0.0001040000000000 ] - [ -0.0002444500000000, -0.0007071100000000, -0.0019110000000000 ] - [ -0.0002444500000000, 0.0007071100000000, -0.0019110000000000 ] - [ -0.0003847400000000, 0.0000000000000000, -0.0014776700000000 ] - [ -0.0003610400000000, 0.0000000000000000, -0.0014096800000000 ] - [ -0.0051130700000000, 0.0000000000000000, -0.0006530200000000 ] - [ -0.0050881900000000, 0.0000000000000000, -0.0006518100000000 ] - [ -0.0004869100000000, 0.0000000000000000, -0.0014194400000000 ] - [ -0.0003005400000000, 0.0000000000000000, -0.0003898400000000 ]- atom: 59 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0055480300000000, -0.0001896600000000, -0.0024462700000000 ] - [ 0.0055480300000000, 0.0001896600000000, -0.0024462700000000 ] - [ -0.0053921300000000, -0.0000128200000000, 0.0023530100000000 ] - [ -0.0053921300000000, 0.0000128200000000, 0.0023530100000000 ] - [ -0.0054156200000000, 0.0000000000000000, -0.0074211700000000 ] - [ 0.0026251300000000, 0.0000000000000000, -0.0028657700000000 ] - [ 0.0018310300000000, 0.0000000000000000, -0.0007104800000000 ] - [ 0.0018621000000000, 0.0000000000000000, -0.0007139700000000 ] - [ -0.0034702600000000, 0.0000000000000000, -0.0012739200000000 ] - [ -0.0034270300000000, 0.0000000000000000, -0.0006768500000000 ] - [ -0.0025350600000000, -0.0000193600000000, 0.0000901600000000 ] - [ -0.0025350600000000, 0.0000193600000000, 0.0000901600000000 ] - [ -0.0021983800000000, -0.0042143600000000, 0.0011054500000000 ] - [ -0.0021983800000000, 0.0042143600000000, 0.0011054500000000 ] - [ -0.0024139200000000, -0.0003427900000000, 0.0084689500000000 ] - [ -0.0024139200000000, 0.0003427900000000, 0.0084689500000000 ] - [ -0.0010233200000000, 0.0000000000000000, -0.0035287800000000 ] - [ -0.0011818100000000, 0.0000000000000000, -0.0033956000000000 ] - [ 0.0114520800000000, -0.0179108300000000, -0.0083935100000000 ] - [ 0.0114520800000000, 0.0179108300000000, -0.0083935100000000 ] - [ 0.0060002400000000, 0.0000000000000000, -0.0018668900000000 ] - [ 0.0056137900000000, 0.0000000000000000, -0.0010618100000000 ] - [ -0.0046702300000000, 0.0001953900000000, 0.0024963300000000 ] - [ -0.0046702300000000, -0.0001953900000000, 0.0024963300000000 ] - [ -0.0010663100000000, 0.0000000000000000, -0.0021129600000000 ] - [ -0.0010233900000000, 0.0000000000000000, -0.0020756200000000 ] - [ -0.0036769500000000, 0.0000000000000000, -0.0012521300000000 ] - [ -0.0035633300000000, 0.0000000000000000, -0.0012055100000000 ] - [ -0.0031266100000000, -0.0002310600000000, 0.0003030500000000 ] - [ -0.0031266100000000, 0.0002310600000000, 0.0003030500000000 ] - [ -0.0049525400000000, 0.0000000000000000, 0.0016250400000000 ] - [ -0.0046821500000000, 0.0000000000000000, 0.0016895200000000 ] - [ 0.0033711800000000, -0.0000117100000000, 0.0004778300000000 ] - [ 0.0033711800000000, 0.0000117100000000, 0.0004778300000000 ] - [ -0.0051534400000000, 0.0000000000000000, 0.0022020700000000 ] - [ -0.0020929200000000, 0.0000000000000000, 0.0023803900000000 ] - [ -0.0001630100000000, 0.0000740400000000, -0.0022657100000000 ] - [ -0.0001630100000000, -0.0000740400000000, -0.0022657100000000 ] - [ 0.0050605400000000, 0.0000308500000000, 0.0014916700000000 ] - [ 0.0050605400000000, -0.0000308500000000, 0.0014916700000000 ] - [ 0.0004593400000000, -0.0000198300000000, 0.0004392400000000 ] - [ 0.0004593400000000, 0.0000198300000000, 0.0004392400000000 ] - [ 0.0082905400000000, 0.0000000000000000, -0.0095087700000000 ] - [ 0.0012433900000000, 0.0000000000000000, 0.0014082800000000 ] - [ 0.0024361500000000, 0.0000000000000000, 0.0002549200000000 ] - [ 0.0023154500000000, 0.0000000000000000, 0.0002061000000000 ] - [ 0.0098471300000000, 0.0000000000000000, -0.0015860000000000 ] - [ 0.0005314700000000, 0.0000000000000000, 0.0003055800000000 ] - [ -0.0037896300000000, 0.0057264000000000, -0.0034367700000000 ] - [ -0.0037896300000000, -0.0057264000000000, -0.0034367700000000 ] - [ -0.0000856500000000, 0.0000000000000000, 0.0005086100000000 ] - [ -0.0000670900000000, 0.0000000000000000, 0.0004814700000000 ] - [ 0.0032377400000000, 0.0001216900000000, 0.0000386500000000 ] - [ 0.0032377400000000, -0.0001216900000000, 0.0000386500000000 ] - [ 0.0030491800000000, 0.0125305700000000, 0.0023649200000000 ] - [ 0.0030491800000000, -0.0125305700000000, 0.0023649200000000 ] - [ -0.0036225900000000, 0.0000000000000000, 0.0009915600000000 ] - [ -0.0036184000000000, 0.0000000000000000, 0.0013093600000000 ] - [ -0.0428399500000000, 0.0000000000000000, 0.0448795000000000 ] - [ -0.0022052600000000, 0.0000000000000000, -0.0028231700000000 ] - [ 0.0014056800000000, 0.0000337100000000, 0.0028783300000000 ] - [ 0.0014056800000000, -0.0000337100000000, 0.0028783300000000 ] - [ -0.0038938000000000, 0.0000000000000000, 0.0049540400000000 ] - [ -0.0006587200000000, 0.0000000000000000, 0.0029355900000000 ] - [ 0.0053841500000000, -0.0024584300000000, 0.0028016500000000 ] - [ 0.0053841500000000, 0.0024584300000000, 0.0028016500000000 ] - [ 0.0004974400000000, 0.0000000000000000, 0.0002502900000000 ] - [ 0.0005111800000000, 0.0000000000000000, 0.0002343400000000 ] - [ -0.0011666900000000, 0.0000000000000000, 0.0000873400000000 ] - [ -0.0011113400000000, 0.0000000000000000, 0.0000082600000000 ] - [ 0.0008811100000000, 0.0000000000000000, -0.0016515900000000 ] - [ 0.0008199600000000, 0.0000000000000000, -0.0017717400000000 ] - [ 0.0011262900000000, -0.0105914000000000, -0.0126350000000000 ] - [ 0.0011262900000000, 0.0105914000000000, -0.0126350000000000 ] - [ -0.0061503000000000, 0.0001148200000000, -0.0007379600000000 ] - [ -0.0061503000000000, -0.0001148200000000, -0.0007379600000000 ] - [ 0.0003246100000000, -0.0000633300000000, -0.0003611900000000 ] - [ 0.0003246100000000, 0.0000633300000000, -0.0003611900000000 ] - [ -0.0000790600000000, 0.0000000000000000, 0.0007492100000000 ] - [ -0.0000839400000000, 0.0000000000000000, 0.0006613300000000 ] - [ 0.0031578300000000, 0.0000000000000000, 0.0003680600000000 ] - [ 0.0035329400000000, 0.0000000000000000, 0.0000149600000000 ] - [ 0.0004086800000000, 0.0000000000000000, 0.0005861600000000 ] - [ 0.0004682700000000, 0.0000000000000000, 0.0003758500000000 ] - [ 0.0007473900000000, 0.0000187000000000, 0.0010120400000000 ] - [ 0.0007473900000000, -0.0000187000000000, 0.0010120400000000 ] - [ 0.0037989500000000, -0.0000133400000000, -0.0007217500000000 ] - [ 0.0037989500000000, 0.0000133400000000, -0.0007217500000000 ] - [ 0.0018112700000000, 0.0000143800000000, 0.0001278400000000 ] - [ 0.0018112700000000, -0.0000143800000000, 0.0001278400000000 ] - [ -0.0003135100000000, 0.0000000000000000, 0.0000350900000000 ] - [ -0.0003807600000000, 0.0000000000000000, 0.0000495900000000 ] - [ -0.0001544900000000, 0.0000721600000000, -0.0033939200000000 ] - [ -0.0001544900000000, -0.0000721600000000, -0.0033939200000000 ] - [ 0.0036554600000000, 0.0000000000000000, -0.0007577400000000 ] - [ 0.0036363900000000, 0.0000000000000000, -0.0007249900000000 ] - [ -0.0000067100000000, 0.0000000000000000, 0.0002133800000000 ] - [ -0.0000490300000000, 0.0000000000000000, 0.0002090400000000 ] - [ -0.0027531700000000, 0.0000692900000000, 0.0003980900000000 ] - [ -0.0027531700000000, -0.0000692900000000, 0.0003980900000000 ] - [ 0.0042431700000000, 0.0000551400000000, -0.0013874200000000 ] - [ 0.0042431700000000, -0.0000551400000000, -0.0013874200000000 ] - [ 0.0018960900000000, 0.0000000000000000, 0.0018763700000000 ] - [ 0.0017500900000000, 0.0000000000000000, 0.0020583700000000 ] - [ 0.0003227800000000, 0.0000033300000000, 0.0001714300000000 ] - [ 0.0003227800000000, -0.0000033300000000, 0.0001714300000000 ] - [ 0.0027718400000000, 0.0000000000000000, 0.0001063800000000 ] - [ 0.0022669500000000, 0.0000000000000000, 0.0002966400000000 ] - [ 0.0028371100000000, 0.0004402100000000, -0.0002283100000000 ] - [ 0.0028371100000000, -0.0004402100000000, -0.0002283100000000 ] - [ -0.0000256500000000, -0.0000004400000000, -0.0003677800000000 ] - [ -0.0000256500000000, 0.0000004400000000, -0.0003677800000000 ] - [ 0.0004221800000000, 0.0007022900000000, -0.0027891500000000 ] - [ 0.0004221800000000, -0.0007022900000000, -0.0027891500000000 ] - [ -0.0002155000000000, 0.0000000000000000, -0.0009487500000000 ] - [ -0.0002382500000000, 0.0000000000000000, -0.0010184600000000 ] - [ -0.0049512800000000, 0.0000000000000000, -0.0007995300000000 ] - [ -0.0049747700000000, 0.0000000000000000, -0.0008010400000000 ] - [ 0.0000827000000000, 0.0000000000000000, 0.0017728900000000 ] - [ -0.0001002000000000, 0.0000000000000000, 0.0007598700000000 ]- atom: 61 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0048771400000000, 0.0000000000000000, -0.0029710000000000 ] - [ 0.0065135000000000, 0.0000000000000000, -0.0000222100000000 ] - [ -0.0039893300000000, 0.0000000000000000, 0.0026133600000000 ] - [ -0.0033230200000000, 0.0000000000000000, 0.0018206700000000 ] - [ -0.0032046300000000, 0.0009419400000000, -0.0013297500000000 ] - [ -0.0032046300000000, -0.0009419400000000, -0.0013297500000000 ] - [ 0.0002627500000000, 0.0000403900000000, -0.0022850200000000 ] - [ 0.0002627500000000, -0.0000403900000000, -0.0022850200000000 ] - [ -0.0050917300000000, -0.0000259900000000, -0.0022018600000000 ] - [ -0.0050917300000000, 0.0000259900000000, -0.0022018600000000 ] - [ -0.0042558400000000, 0.0000000000000000, 0.0034657700000000 ] - [ -0.0016498000000000, 0.0000000000000000, 0.0025490400000000 ] - [ -0.0076704200000000, 0.0000000000000000, -0.0003955100000000 ] - [ -0.0025800700000000, 0.0000000000000000, -0.0012403100000000 ] - [ -0.0039954900000000, 0.0000000000000000, -0.0031348500000000 ] - [ -0.0036566900000000, 0.0000000000000000, -0.0019250900000000 ] - [ 0.0249763600000000, 0.0185362400000000, 0.0033012300000000 ] - [ 0.0249763600000000, -0.0185362400000000, 0.0033012300000000 ] - [ -0.0089285000000000, 0.0000000000000000, -0.0041992000000000 ] - [ -0.0029213200000000, 0.0000000000000000, 0.0003601000000000 ] - [ 0.0018170000000000, 0.0001045200000000, -0.0019679800000000 ] - [ 0.0018170000000000, -0.0001045200000000, -0.0019679800000000 ] - [ 0.0117757100000000, 0.0000000000000000, 0.0054908500000000 ] - [ 0.0025891300000000, 0.0000000000000000, 0.0058798600000000 ] - [ -0.0071624100000000, -0.0002676500000000, -0.0019160300000000 ] - [ -0.0071624100000000, 0.0002676500000000, -0.0019160300000000 ] - [ -0.0017730400000000, 0.0001861100000000, -0.0052216500000000 ] - [ -0.0017730400000000, -0.0001861100000000, -0.0052216500000000 ] - [ -0.0036314200000000, 0.0000000000000000, -0.0027535000000000 ] - [ -0.0031240900000000, 0.0000000000000000, -0.0026661800000000 ] - [ -0.0051799400000000, -0.0001258200000000, 0.0016554700000000 ] - [ -0.0051799400000000, 0.0001258200000000, 0.0016554700000000 ] - [ 0.0061546800000000, 0.0000000000000000, 0.0104014400000000 ] - [ 0.0056607600000000, 0.0000000000000000, 0.0040796400000000 ] - [ -0.0030224900000000, 0.0000449000000000, 0.0017648200000000 ] - [ -0.0030224900000000, -0.0000449000000000, 0.0017648200000000 ] - [ 0.0003953800000000, 0.0000000000000000, -0.0014958100000000 ] - [ 0.0000240900000000, 0.0000000000000000, -0.0004969800000000 ] - [ 0.0032468500000000, 0.0000000000000000, 0.0019419600000000 ] - [ 0.0038351200000000, 0.0000000000000000, 0.0022889000000000 ] - [ 0.0015541200000000, 0.0000000000000000, -0.0126285200000000 ] - [ 0.0001043400000000, 0.0000000000000000, -0.0037220600000000 ] - [ 0.0013497600000000, -0.0009394700000000, 0.0011969700000000 ] - [ 0.0013497600000000, 0.0009394700000000, 0.0011969700000000 ] - [ 0.0023896800000000, 0.0000597100000000, 0.0007081000000000 ] - [ 0.0023896800000000, -0.0000597100000000, 0.0007081000000000 ] - [ 0.0020840600000000, -0.0000881100000000, 0.0001599900000000 ] - [ 0.0020840600000000, 0.0000881100000000, 0.0001599900000000 ] - [ 0.0125701300000000, 0.0000000000000000, 0.0068321300000000 ] - [ 0.0004099100000000, 0.0000000000000000, 0.0003281800000000 ] - [ -0.0021077300000000, 0.0007570600000000, 0.0065359700000000 ] - [ -0.0021077300000000, -0.0007570600000000, 0.0065359700000000 ] - [ 0.0035867500000000, 0.0000000000000000, 0.0003480500000000 ] - [ 0.0035709600000000, 0.0000000000000000, 0.0003217700000000 ] - [ 0.0022541400000000, 0.0000000000000000, 0.0010811800000000 ] - [ -0.0000441600000000, 0.0000000000000000, 0.0003665700000000 ] - [ 0.0012201500000000, -0.0215521600000000, -0.0010553000000000 ] - [ 0.0012201500000000, 0.0215521600000000, -0.0010553000000000 ] - [ 0.0046294200000000, -0.0017067700000000, -0.0008730300000000 ] - [ 0.0046294200000000, 0.0017067700000000, -0.0008730300000000 ] - [ -0.0751881100000000, 0.0000000000000000, -0.0105649500000000 ] - [ -0.0043224400000000, 0.0000000000000000, -0.0033914200000000 ] - [ 0.0005105700000000, -0.0000862900000000, 0.0020599800000000 ] - [ 0.0005105700000000, 0.0000862900000000, 0.0020599800000000 ] - [ 0.0115303300000000, 0.0000000000000000, 0.0136140600000000 ] - [ -0.0011989100000000, 0.0000000000000000, 0.0008106700000000 ] - [ 0.0060247400000000, 0.0075368400000000, 0.0011915200000000 ] - [ 0.0060247400000000, -0.0075368400000000, 0.0011915200000000 ] - [ 0.0011634500000000, -0.0000022300000000, 0.0001759200000000 ] - [ 0.0011634500000000, 0.0000022300000000, 0.0001759200000000 ] - [ -0.0034290000000000, 0.0009586800000000, -0.0047168600000000 ] - [ -0.0034290000000000, -0.0009586800000000, -0.0047168600000000 ] - [ 0.0000627300000000, 0.0000000000000000, 0.0025162900000000 ] - [ -0.0003577000000000, 0.0000000000000000, 0.0001489900000000 ] - [ -0.0044403700000000, 0.0000000000000000, -0.0004148500000000 ] - [ -0.0045988400000000, 0.0000000000000000, -0.0004623900000000 ] - [ -0.0004622100000000, 0.0000000000000000, -0.0030397100000000 ] - [ -0.0006677700000000, 0.0000000000000000, -0.0019193500000000 ] - [ 0.0004634300000000, 0.0000271800000000, 0.0020210800000000 ] - [ 0.0004634300000000, -0.0000271800000000, 0.0020210800000000 ] - [ 0.0054534100000000, -0.0002715100000000, 0.0017260000000000 ] - [ 0.0054534100000000, 0.0002715100000000, 0.0017260000000000 ] - [ 0.0008822300000000, -0.0000144100000000, 0.0018665500000000 ] - [ 0.0008822300000000, 0.0000144100000000, 0.0018665500000000 ] - [ 0.0019324900000000, 0.0000000000000000, 0.0001989700000000 ] - [ 0.0018165500000000, 0.0000000000000000, -0.0000117900000000 ] - [ 0.0019068700000000, 0.0000000000000000, 0.0001545100000000 ] - [ 0.0019067600000000, 0.0000000000000000, 0.0000781400000000 ] - [ 0.0018500600000000, 0.0000000000000000, -0.0048006800000000 ] - [ -0.0005837200000000, 0.0000000000000000, -0.0007788200000000 ] - [ 0.0018266700000000, -0.0000006600000000, -0.0000130500000000 ] - [ 0.0018266700000000, 0.0000006600000000, -0.0000130500000000 ] - [ 0.0002132300000000, 0.0000000000000000, 0.0005418100000000 ] - [ 0.0001262400000000, 0.0000000000000000, 0.0003938800000000 ] - [ 0.0032497600000000, -0.0002385200000000, -0.0006612700000000 ] - [ 0.0032497600000000, 0.0002385200000000, -0.0006612700000000 ] - [ 0.0001841300000000, 0.0002846200000000, -0.0005989900000000 ] - [ 0.0001841300000000, -0.0002846200000000, -0.0005989900000000 ] - [ -0.0020923100000000, 0.0000000000000000, 0.0007133400000000 ] - [ -0.0022104200000000, 0.0000000000000000, 0.0006977000000000 ] - [ 0.0043513400000000, 0.0000000000000000, -0.0015979900000000 ] - [ 0.0041322100000000, 0.0000000000000000, -0.0015533000000000 ] - [ 0.0021414800000000, -0.0000878700000000, 0.0024898200000000 ] - [ 0.0021414800000000, 0.0000878700000000, 0.0024898200000000 ] - [ 0.0002199500000000, 0.0000000000000000, -0.0040328300000000 ] - [ 0.0000338500000000, 0.0000000000000000, -0.0020506700000000 ] - [ 0.0028728300000000, 0.0000018100000000, 0.0005559200000000 ] - [ 0.0028728300000000, -0.0000018100000000, 0.0005559200000000 ] - [ 0.0029744200000000, 0.0000000000000000, 0.0002490000000000 ] - [ 0.0020291200000000, 0.0000000000000000, 0.0000810100000000 ] - [ 0.0000751700000000, 0.0000000000000000, -0.0012860700000000 ] - [ -0.0010046600000000, 0.0000000000000000, -0.0006165500000000 ] - [ 0.0005026200000000, 0.0000000000000000, -0.0020247400000000 ] - [ 0.0004730500000000, 0.0000000000000000, -0.0020946600000000 ] - [ -0.0004036900000000, -0.0000075500000000, -0.0003875300000000 ] - [ -0.0004036900000000, 0.0000075500000000, -0.0003875300000000 ] - [ -0.0065169100000000, -0.0007705800000000, -0.0015379200000000 ] - [ -0.0065169100000000, 0.0007705800000000, -0.0015379200000000 ] - [ 0.0000858000000000, -0.0000016600000000, 0.0013189900000000 ] - [ 0.0000858000000000, 0.0000016600000000, 0.0013189900000000 ]- atom: 61 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0078185000000000, 0.0000000000000000, 0.0010225900000000 ] - [ -0.0021641400000000, 0.0000000000000000, -0.0023450600000000 ] - [ -0.0029988000000000, 0.0000000000000000, -0.0027882100000000 ] - [ -0.0036931500000000, 0.0000000000000000, -0.0019613500000000 ] - [ 0.0005226600000000, -0.0009502800000000, 0.0012730500000000 ] - [ 0.0005226600000000, 0.0009502800000000, 0.0012730500000000 ] - [ 0.0041326400000000, -0.0000417000000000, -0.0000760200000000 ] - [ 0.0041326400000000, 0.0000417000000000, -0.0000760200000000 ] - [ -0.0019134700000000, 0.0000273900000000, 0.0020942200000000 ] - [ -0.0019134700000000, -0.0000273900000000, 0.0020942200000000 ] - [ 0.0015992400000000, 0.0000000000000000, -0.0035463100000000 ] - [ -0.0010201100000000, 0.0000000000000000, -0.0026295400000000 ] - [ 0.0067238200000000, 0.0000000000000000, -0.0032904300000000 ] - [ 0.0015407700000000, 0.0000000000000000, -0.0024384600000000 ] - [ -0.0025926600000000, 0.0000000000000000, 0.0015512200000000 ] - [ -0.0029338900000000, 0.0000000000000000, 0.0003298000000000 ] - [ -0.0277574600000000, -0.0185420000000000, -0.0077317800000000 ] - [ -0.0277574600000000, 0.0185420000000000, -0.0077317800000000 ] - [ 0.0011115100000000, 0.0000000000000000, 0.0080099300000000 ] - [ -0.0049302500000000, 0.0000000000000000, 0.0033792300000000 ] - [ 0.0053970000000000, -0.0001053500000000, 0.0014097900000000 ] - [ 0.0053970000000000, 0.0001053500000000, 0.0014097900000000 ] - [ -0.0135987500000000, 0.0000000000000000, -0.0002632300000000 ] - [ -0.0043731800000000, 0.0000000000000000, -0.0005077600000000 ] - [ 0.0061298700000000, 0.0002771000000000, -0.0017511900000000 ] - [ 0.0061298700000000, -0.0002771000000000, -0.0017511900000000 ] - [ -0.0048226600000000, -0.0001922800000000, 0.0036717500000000 ] - [ -0.0048226600000000, 0.0001922800000000, 0.0036717500000000 ] - [ 0.0012742700000000, 0.0000000000000000, -0.0016573600000000 ] - [ 0.0007591800000000, 0.0000000000000000, -0.0017462400000000 ] - [ -0.0026347500000000, 0.0001231400000000, 0.0020887900000000 ] - [ -0.0026347500000000, -0.0001231400000000, 0.0020887900000000 ] - [ 0.0010312600000000, 0.0000000000000000, -0.0111159500000000 ] - [ 0.0015364800000000, 0.0000000000000000, -0.0046622900000000 ] - [ 0.0012626200000000, -0.0000455500000000, 0.0036432700000000 ] - [ 0.0012626200000000, 0.0000455500000000, 0.0036432700000000 ] - [ -0.0006353200000000, 0.0000000000000000, 0.0022785900000000 ] - [ -0.0002570500000000, 0.0000000000000000, 0.0012723800000000 ] - [ 0.0067233900000000, 0.0000000000000000, 0.0009602200000000 ] - [ 0.0061264200000000, 0.0000000000000000, 0.0006080300000000 ] - [ -0.0003114800000000, 0.0000000000000000, 0.0145635700000000 ] - [ 0.0011496400000000, 0.0000000000000000, 0.0054364800000000 ] - [ -0.0001090100000000, 0.0009566900000000, 0.0006260200000000 ] - [ -0.0001090100000000, -0.0009566900000000, 0.0006260200000000 ] - [ 0.0017417400000000, -0.0000594800000000, -0.0004551700000000 ] - [ 0.0017417400000000, 0.0000594800000000, -0.0004551700000000 ] - [ -0.0018361100000000, 0.0000888100000000, -0.0001947600000000 ] - [ -0.0018361100000000, -0.0000888100000000, -0.0001947600000000 ] - [ -0.0141602000000000, 0.0000000000000000, -0.0068726600000000 ] - [ -0.0017575300000000, 0.0000000000000000, -0.0002285400000000 ] - [ 0.0019551400000000, -0.0007883000000000, -0.0067354200000000 ] - [ 0.0019551400000000, 0.0007883000000000, -0.0067354200000000 ] - [ 0.0029157800000000, 0.0000000000000000, -0.0006509400000000 ] - [ 0.0029316900000000, 0.0000000000000000, -0.0006250800000000 ] - [ -0.0030174500000000, 0.0000000000000000, -0.0008281700000000 ] - [ -0.0006942700000000, 0.0000000000000000, -0.0001026700000000 ] - [ -0.0073274900000000, 0.0217546900000000, 0.0021970200000000 ] - [ -0.0073274900000000, -0.0217546900000000, 0.0021970200000000 ] - [ 0.0032717800000000, 0.0017239900000000, -0.0019190600000000 ] - [ 0.0032717800000000, -0.0017239900000000, -0.0019190600000000 ] - [ 0.0806034700000000, 0.0000000000000000, 0.0149205700000000 ] - [ 0.0074511000000000, 0.0000000000000000, 0.0079295800000000 ] - [ -0.0000946800000000, 0.0000873600000000, -0.0009604600000000 ] - [ -0.0000946800000000, -0.0000873600000000, -0.0009604600000000 ] - [ -0.0086566300000000, 0.0000000000000000, -0.0131686600000000 ] - [ 0.0042037300000000, 0.0000000000000000, -0.0001568300000000 ] - [ -0.0054461000000000, -0.0074510000000000, -0.0010368800000000 ] - [ -0.0054461000000000, 0.0074510000000000, -0.0010368800000000 ] - [ -0.0021591600000000, 0.0000018100000000, -0.0004398800000000 ] - [ -0.0021591600000000, -0.0000018100000000, -0.0004398800000000 ] - [ 0.0036043700000000, -0.0010431800000000, 0.0000855400000000 ] - [ 0.0036043700000000, 0.0010431800000000, 0.0000855400000000 ] - [ -0.0006712300000000, 0.0000000000000000, -0.0049800100000000 ] - [ -0.0002461100000000, 0.0000000000000000, -0.0025822100000000 ] - [ -0.0056241300000000, 0.0000000000000000, -0.0010381600000000 ] - [ -0.0054657300000000, 0.0000000000000000, -0.0009904100000000 ] - [ 0.0000785000000000, 0.0000000000000000, 0.0035232300000000 ] - [ 0.0002707900000000, 0.0000000000000000, 0.0023073300000000 ] - [ -0.0006981900000000, -0.0000283000000000, -0.0012609200000000 ] - [ -0.0006981900000000, 0.0000283000000000, -0.0012609200000000 ] - [ 0.0044980400000000, 0.0002728900000000, 0.0011788300000000 ] - [ 0.0044980400000000, -0.0002728900000000, 0.0011788300000000 ] - [ 0.0003668700000000, 0.0000149500000000, -0.0001756700000000 ] - [ 0.0003668700000000, -0.0000149500000000, -0.0001756700000000 ] - [ -0.0006978600000000, 0.0000000000000000, 0.0016227200000000 ] - [ -0.0005729300000000, 0.0000000000000000, 0.0018284700000000 ] - [ 0.0022276300000000, 0.0000000000000000, 0.0001063600000000 ] - [ 0.0022421200000000, 0.0000000000000000, 0.0001804100000000 ] - [ -0.0016184100000000, 0.0000000000000000, 0.0047450700000000 ] - [ 0.0008282600000000, 0.0000000000000000, 0.0007477700000000 ] - [ -0.0031889700000000, -0.0000003300000000, 0.0001118300000000 ] - [ -0.0031889700000000, 0.0000003300000000, 0.0001118300000000 ] - [ -0.0003575400000000, 0.0000000000000000, -0.0006763200000000 ] - [ -0.0002698300000000, 0.0000000000000000, -0.0005284600000000 ] - [ 0.0032516100000000, 0.0002708900000000, 0.0003699700000000 ] - [ 0.0032516100000000, -0.0002708900000000, 0.0003699700000000 ] - [ -0.0009318600000000, -0.0002712000000000, 0.0008638100000000 ] - [ -0.0009318600000000, 0.0002712000000000, 0.0008638100000000 ] - [ -0.0040311200000000, 0.0000000000000000, 0.0004243500000000 ] - [ -0.0039118700000000, 0.0000000000000000, 0.0004402800000000 ] - [ 0.0035497500000000, 0.0000000000000000, -0.0011895700000000 ] - [ 0.0037588900000000, 0.0000000000000000, -0.0012338900000000 ] - [ 0.0009003100000000, 0.0000892700000000, 0.0020275600000000 ] - [ 0.0009003100000000, -0.0000892700000000, 0.0020275600000000 ] - [ 0.0001984000000000, 0.0000000000000000, 0.0051660600000000 ] - [ 0.0003806400000000, 0.0000000000000000, 0.0031990000000000 ] - [ 0.0000888700000000, -0.0000017400000000, 0.0000945200000000 ] - [ 0.0000888700000000, 0.0000017400000000, 0.0000945200000000 ] - [ -0.0025018500000000, 0.0000000000000000, -0.0000987200000000 ] - [ -0.0015380900000000, 0.0000000000000000, 0.0000723700000000 ] - [ -0.0010870800000000, 0.0000000000000000, 0.0010461300000000 ] - [ 0.0000092600000000, 0.0000000000000000, 0.0003580100000000 ] - [ -0.0003262400000000, 0.0000000000000000, -0.0026741300000000 ] - [ -0.0002963700000000, 0.0000000000000000, -0.0026038100000000 ] - [ -0.0002012900000000, 0.0000075800000000, -0.0020546900000000 ] - [ -0.0002012900000000, -0.0000075800000000, -0.0020546900000000 ] - [ -0.0035317500000000, 0.0007885800000000, 0.0000935500000000 ] - [ -0.0035317500000000, -0.0007885800000000, 0.0000935500000000 ] - [ -0.0004871900000000, 0.0000012100000000, -0.0009617900000000 ] - [ -0.0004871900000000, -0.0000012100000000, -0.0009617900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017874300000000, 0.0226887000000000, -0.0011445100000000 ] - [ 0.0022166500000000, -0.0167412100000000, -0.0011625600000000 ] - [ -0.0035078300000000, 0.0002153300000000, -0.0001003000000000 ] - [ -0.0035030200000000, -0.0001722400000000, -0.0000525400000000 ] - [ -0.0013693900000000, 0.0000150800000000, -0.0001062700000000 ] - [ -0.0013693600000000, -0.0000096400000000, 0.0000058500000000 ] - [ 0.0015741300000000, 0.0000014600000000, -0.0014969900000000 ] - [ 0.0027560400000000, 0.0000006000000000, -0.0008982900000000 ] - [ -0.0052417900000000, 0.0000034900000000, -0.0015789200000000 ] - [ -0.0018518100000000, -0.0000030700000000, 0.0014041500000000 ] - [ -0.0012627100000000, 0.0012459900000000, -0.0000034900000000 ] - [ -0.0013224300000000, -0.0012518500000000, -0.0000094300000000 ] - [ -0.0005949800000000, 0.0001399000000000, -0.0018269000000000 ] - [ -0.0005279400000000, -0.0001553600000000, -0.0018345000000000 ] - [ -0.0033125700000000, 0.0000780000000000, -0.0008314600000000 ] - [ -0.0033009300000000, -0.0000779800000000, -0.0008151300000000 ] - [ 0.0285532400000000, 0.0664603600000000, 0.0213621600000000 ] - [ -0.0291630400000000, 0.0602170100000000, -0.0244471800000000 ] - [ -0.0040003200000000, 0.0006846600000000, 0.0018056300000000 ] - [ -0.0039126300000000, -0.0006308000000000, 0.0018679600000000 ] - [ 0.0032006900000000, 0.0000026800000000, -0.0004752600000000 ] - [ 0.0039474300000000, -0.0000018100000000, -0.0001381000000000 ] - [ -0.0008698000000000, 0.0164512800000000, 0.0023249800000000 ] - [ -0.0008508100000000, -0.0129081900000000, 0.0027214300000000 ] - [ -0.0158775500000000, 0.0000715600000000, -0.0003855800000000 ] - [ 0.0145838900000000, 0.0000596500000000, -0.0032597100000000 ] - [ -0.0024301700000000, 0.0000811400000000, -0.0176650100000000 ] - [ -0.0041117400000000, 0.0000589100000000, 0.0158120200000000 ] - [ -0.0012181900000000, 0.0001324700000000, -0.0022149000000000 ] - [ -0.0012101900000000, -0.0001347700000000, -0.0022134400000000 ] - [ -0.0040321800000000, -0.0000070500000000, 0.0013013200000000 ] - [ -0.0037967000000000, -0.0000109500000000, 0.0024072800000000 ] - [ 0.0036606700000000, 0.0016677400000000, -0.0001978500000000 ] - [ 0.0036499200000000, -0.0017516500000000, -0.0002766000000000 ] - [ -0.0011766200000000, 0.0000038700000000, 0.0024014300000000 ] - [ -0.0006594100000000, 0.0000019900000000, 0.0029645500000000 ] - [ -0.0001136800000000, -0.0000399100000000, 0.0003740500000000 ] - [ -0.0001187500000000, 0.0000352800000000, 0.0003822400000000 ] - [ 0.0049458500000000, -0.0067020400000000, 0.0014726100000000 ] - [ 0.0049518200000000, 0.0068225100000000, 0.0014758500000000 ] - [ 0.0006459500000000, -0.0016547000000000, 0.0007110800000000 ] - [ 0.0006192000000000, 0.0015988300000000, 0.0008404100000000 ] - [ 0.0006158400000000, -0.0000021800000000, 0.0009224600000000 ] - [ 0.0006415500000000, 0.0000267000000000, 0.0009075300000000 ] - [ 0.0039910200000000, -0.0001085100000000, 0.0014941000000000 ] - [ 0.0001814600000000, -0.0001032300000000, -0.0012136700000000 ] - [ 0.0002600600000000, -0.0000023700000000, 0.0000081300000000 ] - [ 0.0000537000000000, 0.0000000700000000, -0.0000350700000000 ] - [ -0.0005434700000000, -0.0007085900000000, 0.0001087900000000 ] - [ -0.0006944200000000, 0.0009179800000000, 0.0000400100000000 ] - [ 0.0000618900000000, 0.0037560900000000, 0.0295118100000000 ] - [ -0.0002424600000000, 0.0038093900000000, -0.0290807100000000 ] - [ 0.0032552700000000, -0.0010497900000000, -0.0001437600000000 ] - [ 0.0032555500000000, 0.0010417200000000, -0.0001434500000000 ] - [ -0.0003368200000000, -0.0001142300000000, 0.0001430300000000 ] - [ -0.0003643600000000, 0.0001017200000000, 0.0001344700000000 ] - [ -0.0272229800000000, 0.0242696900000000, 0.0027913000000000 ] - [ 0.0207108800000000, 0.0242688600000000, -0.0016344500000000 ] - [ 0.0038823800000000, -0.0000199500000000, -0.0014755900000000 ] - [ 0.0040401100000000, 0.0000268400000000, -0.0013063800000000 ] - [ 0.0001504300000000, -0.2868066000000000, 0.0009503500000000 ] - [ 0.0014250900000000, 0.0566629700000000, 0.0022030800000000 ] - [ 0.0002343700000000, -0.0000007800000000, 0.0006686000000000 ] - [ 0.0001914700000000, 0.0000013100000000, 0.0004879000000000 ] - [ 0.0016201900000000, -0.0026269900000000, 0.0004349600000000 ] - [ 0.0014775000000000, 0.0013806100000000, 0.0003234700000000 ] - [ 0.0280352400000000, 0.0029694900000000, -0.0015176800000000 ] - [ -0.0270356400000000, 0.0029966900000000, 0.0016158300000000 ] - [ 0.0000415100000000, -0.0000001200000000, 0.0000234500000000 ] - [ -0.0009659200000000, 0.0000003700000000, -0.0002782300000000 ] - [ -0.0003123200000000, 0.0162703000000000, -0.0202806000000000 ] - [ 0.0004729100000000, 0.0162854300000000, 0.0153536500000000 ] - [ -0.0002956600000000, -0.0000222000000000, -0.0011721900000000 ] - [ -0.0003012500000000, 0.0000345600000000, -0.0012025600000000 ] - [ -0.0050192400000000, -0.0001766400000000, -0.0007207800000000 ] - [ -0.0050231900000000, 0.0001771900000000, -0.0007215900000000 ] - [ -0.0001796000000000, -0.0006575000000000, 0.0003285700000000 ] - [ -0.0002044100000000, 0.0004381400000000, 0.0001682700000000 ] - [ 0.0009071300000000, -0.0000364800000000, 0.0020691900000000 ] - [ -0.0011267100000000, -0.0000333400000000, -0.0012701100000000 ] - [ 0.0050438000000000, -0.0000063300000000, 0.0014644200000000 ] - [ 0.0049274400000000, 0.0000062800000000, 0.0014502700000000 ] - [ 0.0006924700000000, 0.0000023600000000, 0.0010488700000000 ] - [ 0.0005669200000000, 0.0000021800000000, 0.0006683700000000 ] - [ 0.0006414900000000, -0.0069156100000000, 0.0008876400000000 ] - [ 0.0006437800000000, 0.0072302600000000, 0.0008866500000000 ] - [ 0.0020773100000000, -0.0000115900000000, 0.0001343500000000 ] - [ 0.0020769400000000, 0.0000142600000000, 0.0001297800000000 ] - [ 0.0000199500000000, -0.0016968300000000, 0.0000122600000000 ] - [ 0.0001018800000000, 0.0013428700000000, -0.0000248000000000 ] - [ 0.0009370300000000, 0.0000746300000000, -0.0003924100000000 ] - [ -0.0022090000000000, 0.0000740200000000, 0.0004882300000000 ] - [ -0.0000656600000000, -0.0000173100000000, -0.0000555600000000 ] - [ -0.0000674400000000, 0.0000181600000000, -0.0000587200000000 ] - [ 0.0032425200000000, 0.0000084500000000, -0.0001925400000000 ] - [ 0.0032469800000000, -0.0000039200000000, -0.0001002000000000 ] - [ 0.0001460300000000, 0.0000237700000000, -0.0004832000000000 ] - [ -0.0009003400000000, 0.0000239700000000, 0.0007182500000000 ] - [ -0.0030447300000000, -0.0002753700000000, 0.0005713800000000 ] - [ -0.0030472000000000, 0.0002862700000000, 0.0005710800000000 ] - [ 0.0039394300000000, -0.0006383800000000, -0.0013969200000000 ] - [ 0.0039420600000000, 0.0006487400000000, -0.0013960100000000 ] - [ 0.0016188700000000, -0.0000002100000000, 0.0023030600000000 ] - [ 0.0014408700000000, 0.0000027400000000, 0.0022237000000000 ] - [ 0.0001951200000000, -0.0001803100000000, 0.0005365000000000 ] - [ 0.0002018400000000, 0.0002142300000000, 0.0005601800000000 ] - [ 0.0018872100000000, -0.0000055100000000, 0.0004007100000000 ] - [ 0.0011181300000000, -0.0000048000000000, 0.0002591800000000 ] - [ 0.0002805700000000, -0.0000156500000000, 0.0000789300000000 ] - [ 0.0002672200000000, 0.0000243800000000, 0.0000765200000000 ] - [ -0.0004973300000000, -0.0000638400000000, -0.0001356600000000 ] - [ -0.0005217600000000, 0.0000668200000000, -0.0001320200000000 ] - [ 0.0000952000000000, -0.0002072900000000, -0.0023416000000000 ] - [ 0.0000946000000000, 0.0002043300000000, -0.0023431100000000 ] - [ -0.0006570700000000, 0.0000702400000000, 0.0011875400000000 ] - [ 0.0000456300000000, 0.0000713300000000, -0.0035448500000000 ] - [ -0.0061361400000000, 0.0000708100000000, -0.0000570500000000 ] - [ -0.0039778500000000, 0.0001073800000000, -0.0013974500000000 ] - [ -0.0000253300000000, 0.0000012800000000, 0.0006327500000000 ] - [ -0.0003649300000000, 0.0000013400000000, -0.0002307100000000 ]- atom: 61 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0082806200000000, 0.0000000000000000, 0.0138590100000000 ] - [ 0.0026335100000000, 0.0000000000000000, -0.0008552300000000 ] - [ -0.0012257500000000, 0.0000000000000000, -0.0073071000000000 ] - [ -0.0025459600000000, 0.0000000000000000, -0.0026405100000000 ] - [ -0.0013441100000000, -0.0001010100000000, 0.0004951300000000 ] - [ -0.0013441100000000, 0.0001010100000000, 0.0004951300000000 ] - [ 0.0024362800000000, 0.0000033700000000, -0.0010920300000000 ] - [ 0.0024362800000000, -0.0000033700000000, -0.0010920300000000 ] - [ -0.0042202600000000, -0.0000059900000000, 0.0001685600000000 ] - [ -0.0042202600000000, 0.0000059900000000, 0.0001685600000000 ] - [ 0.0060915600000000, 0.0000000000000000, -0.0020262700000000 ] - [ 0.0013774100000000, 0.0000000000000000, -0.0012023800000000 ] - [ 0.0043221100000000, 0.0000000000000000, -0.0032398400000000 ] - [ 0.0011884300000000, 0.0000000000000000, -0.0025682100000000 ] - [ -0.0046377100000000, 0.0000000000000000, -0.0011965900000000 ] - [ -0.0040225600000000, 0.0000000000000000, -0.0009421100000000 ] - [ -0.0088319000000000, 0.0065713600000000, 0.0152494700000000 ] - [ -0.0088319000000000, -0.0065713600000000, 0.0152494700000000 ] - [ -0.0077422700000000, 0.0000000000000000, 0.0059008200000000 ] - [ -0.0050626600000000, 0.0000000000000000, 0.0036846300000000 ] - [ 0.0033000900000000, 0.0000401800000000, -0.0000433900000000 ] - [ 0.0033000900000000, -0.0000401800000000, -0.0000433900000000 ] - [ -0.0095730200000000, 0.0000000000000000, -0.0142394300000000 ] - [ -0.0017337100000000, 0.0000000000000000, 0.0043167700000000 ] - [ -0.0004476700000000, 0.0003099000000000, -0.0009273700000000 ] - [ -0.0004476700000000, -0.0003099000000000, -0.0009273700000000 ] - [ -0.0040213400000000, -0.0002949000000000, -0.0034795800000000 ] - [ -0.0040213400000000, 0.0002949000000000, -0.0034795800000000 ] - [ -0.0004139000000000, 0.0000000000000000, -0.0026631100000000 ] - [ -0.0006402100000000, 0.0000000000000000, -0.0025283400000000 ] - [ -0.0028845800000000, 0.0002314600000000, 0.0011930800000000 ] - [ -0.0028845800000000, -0.0002314600000000, 0.0011930800000000 ] - [ 0.0055059700000000, 0.0000000000000000, -0.0100959500000000 ] - [ 0.0050014700000000, 0.0000000000000000, -0.0046470000000000 ] - [ -0.0005987000000000, -0.0000069500000000, 0.0025893800000000 ] - [ -0.0005987000000000, 0.0000069500000000, 0.0025893800000000 ] - [ -0.0004941500000000, 0.0000000000000000, 0.0030128700000000 ] - [ -0.0003067800000000, 0.0000000000000000, 0.0016443000000000 ] - [ 0.0051241100000000, 0.0000000000000000, 0.0023491700000000 ] - [ 0.0048269800000000, 0.0000000000000000, 0.0019332900000000 ] - [ -0.0030522500000000, 0.0000000000000000, 0.0097281300000000 ] - [ 0.0004207200000000, 0.0000000000000000, 0.0043166500000000 ] - [ 0.0001832600000000, 0.0004607700000000, 0.0006901700000000 ] - [ 0.0001832600000000, -0.0004607700000000, 0.0006901700000000 ] - [ 0.0028845800000000, -0.0000025500000000, 0.0002994800000000 ] - [ 0.0028845800000000, 0.0000025500000000, 0.0002994800000000 ] - [ 0.0000112100000000, 0.0000059800000000, -0.0000802700000000 ] - [ 0.0000112100000000, -0.0000059800000000, -0.0000802700000000 ] - [ -0.0110488200000000, 0.0000000000000000, -0.0061341700000000 ] - [ -0.0028317500000000, 0.0000000000000000, -0.0010961800000000 ] - [ 0.0024062200000000, 0.0068149900000000, 0.0006922400000000 ] - [ 0.0024062200000000, -0.0068149900000000, 0.0006922400000000 ] - [ 0.0034008800000000, 0.0000000000000000, -0.0002049500000000 ] - [ 0.0033947400000000, 0.0000000000000000, -0.0002033500000000 ] - [ -0.0003361300000000, 0.0000000000000000, -0.0007556600000000 ] - [ -0.0003359600000000, 0.0000000000000000, -0.0001239500000000 ] - [ -0.0086403700000000, 0.0137147900000000, -0.0021689200000000 ] - [ -0.0086403700000000, -0.0137147900000000, -0.0021689200000000 ] - [ 0.0042058000000000, -0.0000966200000000, -0.0019289000000000 ] - [ 0.0042058000000000, 0.0000966200000000, -0.0019289000000000 ] - [ 0.0300497200000000, 0.0000000000000000, -0.0504308900000000 ] - [ -0.0003666200000000, 0.0000000000000000, 0.0018373700000000 ] - [ 0.0002485700000000, 0.0000073400000000, 0.0002173000000000 ] - [ 0.0002485700000000, -0.0000073400000000, 0.0002173000000000 ] - [ 0.0109274600000000, 0.0000000000000000, 0.0006538000000000 ] - [ 0.0038462300000000, 0.0000000000000000, -0.0013767300000000 ] - [ 0.0018652100000000, -0.0037688700000000, -0.0022648500000000 ] - [ 0.0018652100000000, 0.0037688700000000, -0.0022648500000000 ] - [ -0.0002443800000000, -0.0000016400000000, -0.0001628300000000 ] - [ -0.0002443800000000, 0.0000016400000000, -0.0001628300000000 ] - [ 0.0012968400000000, -0.0144185300000000, 0.0036688600000000 ] - [ 0.0012968400000000, 0.0144185300000000, 0.0036688600000000 ] - [ -0.0000952200000000, 0.0000000000000000, -0.0020167700000000 ] - [ -0.0001576800000000, 0.0000000000000000, -0.0018324400000000 ] - [ -0.0048018200000000, 0.0000000000000000, -0.0007280600000000 ] - [ -0.0048821700000000, 0.0000000000000000, -0.0007467400000000 ] - [ 0.0020652300000000, 0.0000000000000000, 0.0165180300000000 ] - [ -0.0000502500000000, 0.0000000000000000, 0.0022963800000000 ] - [ -0.0000905400000000, 0.0000193500000000, -0.0002021500000000 ] - [ -0.0000905400000000, -0.0000193500000000, -0.0002021500000000 ] - [ 0.0051688600000000, -0.0001189000000000, 0.0015067700000000 ] - [ 0.0051688600000000, 0.0001189000000000, 0.0015067700000000 ] - [ 0.0006292300000000, -0.0000030800000000, 0.0007718500000000 ] - [ 0.0006292300000000, 0.0000030800000000, 0.0007718500000000 ] - [ 0.0002976100000000, 0.0000000000000000, 0.0002049900000000 ] - [ 0.0006708400000000, 0.0000000000000000, 0.0007411600000000 ] - [ 0.0033787500000000, 0.0000000000000000, 0.0006652100000000 ] - [ 0.0026993800000000, 0.0000000000000000, 0.0003067200000000 ] - [ -0.0094616700000000, 0.0000000000000000, 0.0046404100000000 ] - [ -0.0033152600000000, 0.0000000000000000, -0.0001304300000000 ] - [ -0.0009786500000000, -0.0000188900000000, -0.0000163000000000 ] - [ -0.0009786500000000, 0.0000188900000000, -0.0000163000000000 ] - [ -0.0000494300000000, 0.0000000000000000, 0.0006384200000000 ] - [ -0.0000673200000000, 0.0000000000000000, 0.0003803100000000 ] - [ 0.0029746500000000, -0.0006289600000000, 0.0008568600000000 ] - [ 0.0029746500000000, 0.0006289600000000, 0.0008568600000000 ] - [ -0.0012799100000000, -0.0005244100000000, -0.0000856100000000 ] - [ -0.0012799100000000, 0.0005244100000000, -0.0000856100000000 ] - [ -0.0032302200000000, 0.0000000000000000, 0.0005641300000000 ] - [ -0.0032028900000000, 0.0000000000000000, 0.0005666100000000 ] - [ 0.0029897600000000, 0.0000000000000000, -0.0013515400000000 ] - [ 0.0034684100000000, 0.0000000000000000, -0.0013361400000000 ] - [ 0.0014100100000000, 0.0000106100000000, 0.0022647100000000 ] - [ 0.0014100100000000, -0.0000106100000000, 0.0022647100000000 ] - [ -0.0005363700000000, 0.0000000000000000, 0.0052883100000000 ] - [ -0.0000503300000000, 0.0000000000000000, 0.0030529700000000 ] - [ 0.0011196000000000, -0.0000148300000000, 0.0002789300000000 ] - [ 0.0011196000000000, 0.0000148300000000, 0.0002789300000000 ] - [ -0.0010726100000000, 0.0000000000000000, -0.0000575500000000 ] - [ -0.0005386100000000, 0.0000000000000000, 0.0000813600000000 ] - [ -0.0036978800000000, 0.0000000000000000, 0.0012262200000000 ] - [ -0.0022796100000000, 0.0000000000000000, 0.0004344900000000 ] - [ 0.0000224100000000, 0.0000000000000000, -0.0023310200000000 ] - [ 0.0000268400000000, 0.0000000000000000, -0.0023276700000000 ] - [ -0.0003781200000000, -0.0000313800000000, 0.0002104000000000 ] - [ -0.0003781200000000, 0.0000313800000000, 0.0002104000000000 ] - [ -0.0050969400000000, 0.0004698500000000, 0.0002673700000000 ] - [ -0.0050969400000000, -0.0004698500000000, 0.0002673700000000 ] - [ -0.0001587300000000, 0.0000008300000000, 0.0002785200000000 ] - [ -0.0001587300000000, -0.0000008300000000, 0.0002785200000000 ]- atom: 61 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ -0.0045628600000000, 0.0000000000000000, -0.0160121500000000 ] - [ 0.0016970800000000, 0.0000000000000000, -0.0015209900000000 ] - [ -0.0057931300000000, 0.0000000000000000, 0.0072612200000000 ] - [ -0.0044763400000000, 0.0000000000000000, 0.0025289000000000 ] - [ -0.0013400400000000, 0.0000981100000000, -0.0005561600000000 ] - [ -0.0013400400000000, -0.0000981100000000, -0.0005561600000000 ] - [ 0.0019624600000000, -0.0000045600000000, -0.0012674400000000 ] - [ 0.0019624600000000, 0.0000045600000000, -0.0012674400000000 ] - [ -0.0027842800000000, 0.0000067100000000, -0.0002686800000000 ] - [ -0.0027842800000000, -0.0000067100000000, -0.0002686800000000 ] - [ -0.0088580600000000, 0.0000000000000000, 0.0019502000000000 ] - [ -0.0040766600000000, 0.0000000000000000, 0.0011172100000000 ] - [ -0.0053269700000000, 0.0000000000000000, -0.0004207200000000 ] - [ -0.0022341500000000, 0.0000000000000000, -0.0010986400000000 ] - [ -0.0019226300000000, 0.0000000000000000, -0.0003949200000000 ] - [ -0.0025538300000000, 0.0000000000000000, -0.0006507800000000 ] - [ 0.0062990800000000, -0.0070422300000000, -0.0199347700000000 ] - [ 0.0062990800000000, 0.0070422300000000, -0.0199347700000000 ] - [ -0.0000948400000000, 0.0000000000000000, -0.0021488300000000 ] - [ -0.0027668200000000, 0.0000000000000000, 0.0000455500000000 ] - [ 0.0039215900000000, -0.0000408600000000, -0.0005152300000000 ] - [ 0.0039215900000000, 0.0000408600000000, -0.0005152300000000 ] - [ 0.0079128400000000, 0.0000000000000000, 0.0191768700000000 ] - [ -0.0000519500000000, 0.0000000000000000, 0.0010226600000000 ] - [ -0.0005408000000000, -0.0003114900000000, -0.0027520600000000 ] - [ -0.0005408000000000, 0.0003114900000000, -0.0027520600000000 ] - [ -0.0025747100000000, 0.0002971700000000, 0.0019385600000000 ] - [ -0.0025747100000000, -0.0002971700000000, 0.0019385600000000 ] - [ -0.0019477900000000, 0.0000000000000000, -0.0017396700000000 ] - [ -0.0017250900000000, 0.0000000000000000, -0.0018780600000000 ] - [ -0.0049397000000000, -0.0002363300000000, 0.0025483800000000 ] - [ -0.0049397000000000, 0.0002363300000000, 0.0025483800000000 ] - [ 0.0016558800000000, 0.0000000000000000, 0.0095043100000000 ] - [ 0.0021808300000000, 0.0000000000000000, 0.0040918100000000 ] - [ -0.0011648200000000, 0.0000066800000000, 0.0028212800000000 ] - [ -0.0011648200000000, -0.0000066800000000, 0.0028212800000000 ] - [ 0.0002594600000000, 0.0000000000000000, -0.0022785100000000 ] - [ 0.0000745900000000, 0.0000000000000000, -0.0008833600000000 ] - [ 0.0048526600000000, 0.0000000000000000, 0.0005415200000000 ] - [ 0.0051359900000000, 0.0000000000000000, 0.0009619200000000 ] - [ 0.0042340800000000, 0.0000000000000000, -0.0079584800000000 ] - [ 0.0008354100000000, 0.0000000000000000, -0.0026232600000000 ] - [ 0.0010611700000000, -0.0004516600000000, 0.0011322600000000 ] - [ 0.0010611700000000, 0.0004516600000000, 0.0011322600000000 ] - [ 0.0012483700000000, 0.0000020000000000, -0.0000491000000000 ] - [ 0.0012483700000000, -0.0000020000000000, -0.0000491000000000 ] - [ 0.0002407500000000, -0.0000057500000000, 0.0000460200000000 ] - [ 0.0002407500000000, 0.0000057500000000, 0.0000460200000000 ] - [ 0.0095815900000000, 0.0000000000000000, 0.0061805700000000 ] - [ 0.0014932400000000, 0.0000000000000000, 0.0012026900000000 ] - [ -0.0025169100000000, -0.0067733200000000, -0.0008518000000000 ] - [ -0.0025169100000000, 0.0067733200000000, -0.0008518000000000 ] - [ 0.0031033500000000, 0.0000000000000000, -0.0000998800000000 ] - [ 0.0031099100000000, 0.0000000000000000, -0.0001020400000000 ] - [ -0.0004107800000000, 0.0000000000000000, 0.0010126100000000 ] - [ -0.0004031900000000, 0.0000000000000000, 0.0003882500000000 ] - [ 0.0025599000000000, -0.0136684700000000, 0.0032453100000000 ] - [ 0.0025599000000000, 0.0136684700000000, 0.0032453100000000 ] - [ 0.0036944700000000, 0.0001031000000000, -0.0008586000000000 ] - [ 0.0036944700000000, -0.0001031000000000, -0.0008586000000000 ] - [ -0.0261414300000000, 0.0000000000000000, 0.0561148300000000 ] - [ 0.0035063800000000, 0.0000000000000000, 0.0027795500000000 ] - [ 0.0001666700000000, -0.0000067000000000, 0.0008867200000000 ] - [ 0.0001666700000000, 0.0000067000000000, 0.0008867200000000 ] - [ -0.0079492000000000, 0.0000000000000000, 0.0000567600000000 ] - [ -0.0008687700000000, 0.0000000000000000, 0.0020421400000000 ] - [ -0.0014131800000000, 0.0037664100000000, 0.0024413600000000 ] - [ -0.0014131800000000, -0.0037664100000000, 0.0024413600000000 ] - [ -0.0007546900000000, 0.0000018200000000, -0.0001011200000000 ] - [ -0.0007546900000000, -0.0000018200000000, -0.0001011200000000 ] - [ -0.0011517000000000, 0.0145822400000000, -0.0083809400000000 ] - [ -0.0011517000000000, -0.0145822400000000, -0.0083809400000000 ] - [ -0.0005114300000000, 0.0000000000000000, -0.0004149700000000 ] - [ -0.0004485600000000, 0.0000000000000000, -0.0005942800000000 ] - [ -0.0052675700000000, 0.0000000000000000, -0.0007243800000000 ] - [ -0.0051867800000000, 0.0000000000000000, -0.0007059100000000 ] - [ -0.0025149900000000, 0.0000000000000000, -0.0164846600000000 ] - [ -0.0003481000000000, 0.0000000000000000, -0.0019297800000000 ] - [ -0.0001460000000000, -0.0000200500000000, 0.0009548100000000 ] - [ -0.0001460000000000, 0.0000200500000000, 0.0009548100000000 ] - [ 0.0047794400000000, 0.0001201400000000, 0.0013980400000000 ] - [ 0.0047794400000000, -0.0001201400000000, 0.0013980400000000 ] - [ 0.0006186200000000, 0.0000035900000000, 0.0009173500000000 ] - [ 0.0006186200000000, -0.0000035900000000, 0.0009173500000000 ] - [ 0.0009395100000000, 0.0000000000000000, 0.0016423000000000 ] - [ 0.0005641800000000, 0.0000000000000000, 0.0010864100000000 ] - [ 0.0007231800000000, 0.0000000000000000, -0.0004118600000000 ] - [ 0.0014390300000000, 0.0000000000000000, -0.0000501800000000 ] - [ 0.0098822500000000, 0.0000000000000000, -0.0047560700000000 ] - [ 0.0036080600000000, 0.0000000000000000, 0.0001063300000000 ] - [ -0.0003903900000000, 0.0000187700000000, 0.0001202800000000 ] - [ -0.0003903900000000, -0.0000187700000000, 0.0001202800000000 ] - [ -0.0000969100000000, 0.0000000000000000, -0.0007834100000000 ] - [ -0.0000778700000000, 0.0000000000000000, -0.0005222800000000 ] - [ 0.0035320900000000, 0.0006779400000000, -0.0011619700000000 ] - [ 0.0035320900000000, -0.0006779400000000, -0.0011619700000000 ] - [ 0.0005414000000000, 0.0005449800000000, 0.0003605700000000 ] - [ 0.0005414000000000, -0.0005449800000000, 0.0003605700000000 ] - [ -0.0028951200000000, 0.0000000000000000, 0.0005749700000000 ] - [ -0.0029221900000000, 0.0000000000000000, 0.0005727800000000 ] - [ 0.0049223700000000, 0.0000000000000000, -0.0014323300000000 ] - [ 0.0044268800000000, 0.0000000000000000, -0.0014489900000000 ] - [ 0.0016321700000000, -0.0000095300000000, 0.0022529700000000 ] - [ 0.0016321700000000, 0.0000095300000000, 0.0022529700000000 ] - [ 0.0009663900000000, 0.0000000000000000, -0.0042111100000000 ] - [ 0.0004680100000000, 0.0000000000000000, -0.0019166200000000 ] - [ 0.0018461200000000, 0.0000150500000000, 0.0003735100000000 ] - [ 0.0018461200000000, -0.0000150500000000, 0.0003735100000000 ] - [ 0.0015547300000000, 0.0000000000000000, 0.0002080900000000 ] - [ 0.0010309700000000, 0.0000000000000000, 0.0000713600000000 ] - [ 0.0027366600000000, 0.0000000000000000, -0.0014843700000000 ] - [ 0.0013004700000000, 0.0000000000000000, -0.0006979300000000 ] - [ 0.0001542100000000, 0.0000000000000000, -0.0023679000000000 ] - [ 0.0001499000000000, 0.0000000000000000, -0.0023710400000000 ] - [ -0.0002256300000000, 0.0000300600000000, -0.0026594700000000 ] - [ -0.0002256300000000, -0.0000300600000000, -0.0026594700000000 ] - [ -0.0049514800000000, -0.0004583900000000, -0.0017190400000000 ] - [ -0.0049514800000000, 0.0004583900000000, -0.0017190400000000 ] - [ -0.0002430200000000, -0.0000007800000000, 0.0000772200000000 ] - [ -0.0002430200000000, 0.0000007800000000, 0.0000772200000000 ]- atom: 63 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0015840800000000, 0.0000488500000000, -0.0021442200000000 ] - [ 0.0015840800000000, -0.0000488500000000, -0.0021442200000000 ] - [ -0.0047282900000000, -0.0000002400000000, 0.0001879900000000 ] - [ -0.0047282900000000, 0.0000002400000000, 0.0001879900000000 ] - [ 0.0190996700000000, 0.0000000000000000, -0.0212765700000000 ] - [ 0.0015183700000000, 0.0000000000000000, 0.0006296800000000 ] - [ 0.0024711700000000, 0.0000000000000000, -0.0023973900000000 ] - [ 0.0022451000000000, 0.0000000000000000, -0.0003350300000000 ] - [ -0.0079417500000000, 0.0000000000000000, -0.0016449000000000 ] - [ -0.0034577100000000, 0.0000000000000000, -0.0005566900000000 ] - [ -0.0022411400000000, -0.0000897200000000, -0.0003913400000000 ] - [ -0.0022411400000000, 0.0000897200000000, -0.0003913400000000 ] - [ 0.0008264800000000, -0.0015802600000000, -0.0019462300000000 ] - [ 0.0008264800000000, 0.0015802600000000, -0.0019462300000000 ] - [ -0.0037866900000000, 0.0035879800000000, 0.0028802500000000 ] - [ -0.0037866900000000, -0.0035879800000000, 0.0028802500000000 ] - [ -0.0022610200000000, 0.0000000000000000, -0.0028966300000000 ] - [ -0.0020844300000000, 0.0000000000000000, -0.0028522300000000 ] - [ -0.0050766500000000, 0.0043629700000000, -0.0012365300000000 ] - [ -0.0050766500000000, -0.0043629700000000, -0.0012365300000000 ] - [ 0.0196308800000000, 0.0000000000000000, 0.0126671100000000 ] - [ 0.0063491800000000, 0.0000000000000000, 0.0001055900000000 ] - [ -0.0025053700000000, 0.0000034800000000, 0.0023131100000000 ] - [ -0.0025053700000000, -0.0000034800000000, 0.0023131100000000 ] - [ -0.0016006100000000, 0.0000000000000000, -0.0029280700000000 ] - [ -0.0011132100000000, 0.0000000000000000, -0.0023218300000000 ] - [ -0.0045593300000000, 0.0000000000000000, -0.0015489900000000 ] - [ -0.0042198400000000, 0.0000000000000000, -0.0013633500000000 ] - [ -0.0006396200000000, -0.0005077200000000, 0.0003941200000000 ] - [ -0.0006396200000000, 0.0005077200000000, 0.0003941200000000 ] - [ -0.0052260400000000, 0.0000000000000000, 0.0013896500000000 ] - [ -0.0045209900000000, 0.0000000000000000, 0.0017028300000000 ] - [ 0.0027930800000000, -0.0000345700000000, -0.0008465100000000 ] - [ 0.0027930800000000, 0.0000345700000000, -0.0008465100000000 ] - [ -0.0075115300000000, 0.0000000000000000, 0.0032723800000000 ] - [ -0.0005553600000000, 0.0000000000000000, 0.0031855600000000 ] - [ -0.0001565100000000, 0.0001480700000000, 0.0000425200000000 ] - [ -0.0001565100000000, -0.0001480700000000, 0.0000425200000000 ] - [ 0.0053115500000000, 0.0000726300000000, 0.0015795100000000 ] - [ 0.0053115500000000, -0.0000726300000000, 0.0015795100000000 ] - [ 0.0007229200000000, 0.0000050800000000, 0.0014477300000000 ] - [ 0.0007229200000000, -0.0000050800000000, 0.0014477300000000 ] - [ 0.0002879100000000, 0.0000000000000000, -0.0025348300000000 ] - [ 0.0003617500000000, 0.0000000000000000, 0.0012820600000000 ] - [ 0.0033054300000000, 0.0000000000000000, 0.0002584600000000 ] - [ 0.0028330800000000, 0.0000000000000000, 0.0001778200000000 ] - [ 0.0089087800000000, 0.0000000000000000, -0.0119199000000000 ] - [ -0.0017203700000000, 0.0000000000000000, -0.0002021200000000 ] - [ -0.0010161800000000, -0.0002584700000000, 0.0011517100000000 ] - [ -0.0010161800000000, 0.0002584700000000, 0.0011517100000000 ] - [ 0.0000968000000000, 0.0000000000000000, 0.0005923100000000 ] - [ 0.0000633200000000, 0.0000000000000000, 0.0005271800000000 ] - [ 0.0035096100000000, 0.0008591000000000, 0.0000937300000000 ] - [ 0.0035096100000000, -0.0008591000000000, 0.0000937300000000 ] - [ -0.0027412500000000, -0.0002310400000000, 0.0022612500000000 ] - [ -0.0027412500000000, 0.0002310400000000, 0.0022612500000000 ] - [ -0.0026168700000000, 0.0000000000000000, 0.0008003800000000 ] - [ -0.0026867000000000, 0.0000000000000000, 0.0007594100000000 ] - [ 0.0100958000000000, 0.0000000000000000, 0.0069674500000000 ] - [ 0.0028451700000000, 0.0000000000000000, -0.0010257200000000 ] - [ 0.0018204300000000, 0.0000210200000000, 0.0024833100000000 ] - [ 0.0018204300000000, -0.0000210200000000, 0.0024833100000000 ] - [ -0.0468405100000000, 0.0000000000000000, 0.0069682800000000 ] - [ -0.0004816100000000, 0.0000000000000000, 0.0006136400000000 ] - [ 0.0029208300000000, -0.0001166700000000, 0.0007568800000000 ] - [ 0.0029208300000000, 0.0001166700000000, 0.0007568800000000 ] - [ 0.0012325700000000, 0.0000000000000000, 0.0001608800000000 ] - [ 0.0009962900000000, 0.0000000000000000, 0.0001329000000000 ] - [ 0.0054681600000000, 0.0000000000000000, 0.0113352100000000 ] - [ -0.0019922300000000, 0.0000000000000000, -0.0000217800000000 ] - [ 0.0004129800000000, 0.0000000000000000, -0.0020856600000000 ] - [ 0.0003991000000000, 0.0000000000000000, -0.0021081200000000 ] - [ 0.0009173800000000, -0.0012772200000000, -0.0014435500000000 ] - [ 0.0009173800000000, 0.0012772200000000, -0.0014435500000000 ] - [ -0.0080958200000000, -0.0011809300000000, -0.0028576900000000 ] - [ -0.0080958200000000, 0.0011809300000000, -0.0028576900000000 ] - [ 0.0000452600000000, -0.0000040800000000, 0.0003898500000000 ] - [ 0.0000452600000000, 0.0000040800000000, 0.0003898500000000 ] - [ 0.0004236700000000, 0.0000000000000000, 0.0017478700000000 ] - [ -0.0000712700000000, 0.0000000000000000, 0.0009199500000000 ] - [ 0.0098045600000000, 0.0000000000000000, -0.0050836700000000 ] - [ 0.0039050600000000, 0.0000000000000000, 0.0008850200000000 ] - [ 0.0014902900000000, 0.0000000000000000, 0.0061872100000000 ] - [ 0.0004038600000000, 0.0000000000000000, -0.0003432000000000 ] - [ 0.0008021900000000, 0.0001855100000000, 0.0011073500000000 ] - [ 0.0008021900000000, -0.0001855100000000, 0.0011073500000000 ] - [ 0.0031287900000000, -0.0000871000000000, -0.0001228200000000 ] - [ 0.0031287900000000, 0.0000871000000000, -0.0001228200000000 ] - [ 0.0012016400000000, 0.0000086300000000, 0.0000836100000000 ] - [ 0.0012016400000000, -0.0000086300000000, 0.0000836100000000 ] - [ -0.0001589400000000, 0.0000000000000000, 0.0003086300000000 ] - [ -0.0006491800000000, 0.0000000000000000, 0.0000020300000000 ] - [ -0.0002502100000000, -0.0002718100000000, -0.0026634600000000 ] - [ -0.0002502100000000, 0.0002718100000000, -0.0026634600000000 ] - [ 0.0035197400000000, 0.0000000000000000, -0.0002358800000000 ] - [ 0.0035063900000000, 0.0000000000000000, -0.0002188700000000 ] - [ 0.0000564200000000, 0.0000000000000000, 0.0003494300000000 ] - [ -0.0000936300000000, 0.0000000000000000, 0.0002675000000000 ] - [ -0.0033934400000000, 0.0007027700000000, 0.0004317300000000 ] - [ -0.0033934400000000, -0.0007027700000000, 0.0004317300000000 ] - [ 0.0042472200000000, 0.0001905100000000, -0.0013539200000000 ] - [ 0.0042472200000000, -0.0001905100000000, -0.0013539200000000 ] - [ 0.0015257500000000, 0.0000000000000000, 0.0013987100000000 ] - [ 0.0013447000000000, 0.0000000000000000, 0.0018590300000000 ] - [ 0.0003541600000000, 0.0000121200000000, 0.0009143500000000 ] - [ 0.0003541600000000, -0.0000121200000000, 0.0009143500000000 ] - [ 0.0029488000000000, 0.0000000000000000, 0.0003957400000000 ] - [ 0.0019880300000000, 0.0000000000000000, 0.0002407900000000 ] - [ -0.0002768300000000, 0.0002207400000000, -0.0002273400000000 ] - [ -0.0002768300000000, -0.0002207400000000, -0.0002273400000000 ] - [ 0.0001776900000000, 0.0000006000000000, -0.0000936100000000 ] - [ 0.0001776900000000, -0.0000006000000000, -0.0000936100000000 ] - [ 0.0003046600000000, 0.0014123700000000, -0.0031279000000000 ] - [ 0.0003046600000000, -0.0014123700000000, -0.0031279000000000 ] - [ -0.0001030400000000, 0.0000000000000000, -0.0007762200000000 ] - [ -0.0002056300000000, 0.0000000000000000, -0.0009621100000000 ] - [ -0.0046419200000000, 0.0000000000000000, -0.0006172000000000 ] - [ -0.0047099700000000, 0.0000000000000000, -0.0006269800000000 ] - [ 0.0011337200000000, 0.0000000000000000, 0.0005673200000000 ] - [ -0.0001687500000000, 0.0000000000000000, 0.0000981900000000 ]- atom: 63 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0028032800000000, -0.0000463500000000, -0.0002217500000000 ] - [ 0.0028032800000000, 0.0000463500000000, -0.0002217500000000 ] - [ -0.0023046200000000, -0.0000058500000000, -0.0002908100000000 ] - [ -0.0023046200000000, 0.0000058500000000, -0.0002908100000000 ] - [ -0.0214421400000000, 0.0000000000000000, 0.0199412500000000 ] - [ -0.0042117600000000, 0.0000000000000000, -0.0007070000000000 ] - [ 0.0019100000000000, 0.0000000000000000, -0.0000056400000000 ] - [ 0.0021370800000000, 0.0000000000000000, -0.0020324900000000 ] - [ 0.0009567200000000, 0.0000000000000000, 0.0015277700000000 ] - [ -0.0035719200000000, 0.0000000000000000, 0.0004404800000000 ] - [ -0.0004473600000000, 0.0000904100000000, 0.0003198700000000 ] - [ -0.0004473600000000, -0.0000904100000000, 0.0003198700000000 ] - [ -0.0018683900000000, 0.0015452000000000, -0.0016940600000000 ] - [ -0.0018683900000000, -0.0015452000000000, -0.0016940600000000 ] - [ -0.0027728800000000, -0.0035589800000000, -0.0044502600000000 ] - [ -0.0027728800000000, 0.0035589800000000, -0.0044502600000000 ] - [ -0.0000998800000000, 0.0000000000000000, -0.0014994600000000 ] - [ -0.0002744200000000, 0.0000000000000000, -0.0015458200000000 ] - [ -0.0027216900000000, -0.0043357200000000, 0.0049393200000000 ] - [ -0.0027216900000000, 0.0043357200000000, 0.0049393200000000 ] - [ -0.0121910300000000, 0.0000000000000000, -0.0126819100000000 ] - [ 0.0008491800000000, 0.0000000000000000, -0.0006741600000000 ] - [ 0.0007142700000000, -0.0000026600000000, 0.0030698000000000 ] - [ 0.0007142700000000, 0.0000026600000000, 0.0030698000000000 ] - [ 0.0005451500000000, 0.0000000000000000, -0.0007170500000000 ] - [ 0.0000629400000000, 0.0000000000000000, -0.0013299000000000 ] - [ -0.0019994200000000, 0.0000000000000000, -0.0000491100000000 ] - [ -0.0023447700000000, 0.0000000000000000, -0.0002329500000000 ] - [ -0.0017258100000000, 0.0005074900000000, -0.0047869200000000 ] - [ -0.0017258100000000, -0.0005074900000000, -0.0047869200000000 ] - [ -0.0025964100000000, 0.0000000000000000, 0.0023288300000000 ] - [ -0.0032976900000000, 0.0000000000000000, 0.0020227800000000 ] - [ 0.0044055900000000, 0.0000338300000000, 0.0002816200000000 ] - [ 0.0044055900000000, -0.0000338300000000, 0.0002816200000000 ] - [ 0.0057461500000000, 0.0000000000000000, 0.0021815100000000 ] - [ -0.0012371100000000, 0.0000000000000000, 0.0022027700000000 ] - [ -0.0000832600000000, -0.0001469500000000, 0.0006931200000000 ] - [ -0.0000832600000000, 0.0001469500000000, 0.0006931200000000 ] - [ 0.0046373400000000, -0.0000733200000000, 0.0013269600000000 ] - [ 0.0046373400000000, 0.0000733200000000, 0.0013269600000000 ] - [ 0.0005270900000000, -0.0000050900000000, 0.0002238200000000 ] - [ 0.0005270900000000, 0.0000050900000000, 0.0002238200000000 ] - [ 0.0009325300000000, 0.0000000000000000, 0.0042725900000000 ] - [ 0.0008788500000000, 0.0000000000000000, 0.0005405100000000 ] - [ 0.0008239800000000, 0.0000000000000000, 0.0000025300000000 ] - [ 0.0012989900000000, 0.0000000000000000, 0.0000824400000000 ] - [ -0.0087536600000000, 0.0000000000000000, 0.0120599400000000 ] - [ 0.0019998400000000, 0.0000000000000000, 0.0001721100000000 ] - [ -0.0003439700000000, 0.0002583300000000, -0.0010376900000000 ] - [ -0.0003439700000000, -0.0002583300000000, -0.0010376900000000 ] - [ -0.0002318900000000, 0.0000000000000000, -0.0007433800000000 ] - [ -0.0001984800000000, 0.0000000000000000, -0.0006745300000000 ] - [ 0.0029928400000000, -0.0008563700000000, -0.0003948900000000 ] - [ 0.0029928400000000, 0.0008563700000000, -0.0003948900000000 ] - [ 0.0019691600000000, 0.0002710100000000, -0.0020094600000000 ] - [ 0.0019691600000000, -0.0002710100000000, -0.0020094600000000 ] - [ -0.0035068500000000, 0.0000000000000000, 0.0003432900000000 ] - [ -0.0034363400000000, 0.0000000000000000, 0.0003835200000000 ] - [ -0.0021204300000000, 0.0000000000000000, -0.0096206300000000 ] - [ 0.0050344600000000, 0.0000000000000000, -0.0017600400000000 ] - [ 0.0012174800000000, -0.0000214500000000, 0.0020371900000000 ] - [ 0.0012174800000000, 0.0000214500000000, 0.0020371900000000 ] - [ 0.0467918400000000, 0.0000000000000000, -0.0052054000000000 ] - [ 0.0008959500000000, 0.0000000000000000, 0.0005158200000000 ] - [ 0.0000505100000000, 0.0001163300000000, -0.0001025200000000 ] - [ 0.0000505100000000, -0.0001163300000000, -0.0001025200000000 ] - [ -0.0007376100000000, 0.0000000000000000, -0.0000029500000000 ] - [ -0.0005011400000000, 0.0000000000000000, 0.0000255600000000 ] - [ -0.0065960400000000, 0.0000000000000000, -0.0118057700000000 ] - [ 0.0010197300000000, 0.0000000000000000, -0.0002450600000000 ] - [ -0.0002318000000000, 0.0000000000000000, -0.0026103300000000 ] - [ -0.0002175200000000, 0.0000000000000000, -0.0025867500000000 ] - [ -0.0014946900000000, 0.0012571700000000, -0.0009788300000000 ] - [ -0.0014946900000000, -0.0012571700000000, -0.0009788300000000 ] - [ -0.0019958200000000, 0.0012234500000000, 0.0014269800000000 ] - [ -0.0019958200000000, -0.0012234500000000, 0.0014269800000000 ] - [ -0.0004404300000000, 0.0000021300000000, -0.0000178200000000 ] - [ -0.0004404300000000, -0.0000021300000000, -0.0000178200000000 ] - [ -0.0006663400000000, 0.0000000000000000, -0.0010075200000000 ] - [ -0.0001686700000000, 0.0000000000000000, -0.0001751100000000 ] - [ 0.0002195000000000, 0.0000000000000000, 0.0078828900000000 ] - [ 0.0060338900000000, 0.0000000000000000, 0.0020155100000000 ] - [ -0.0002688200000000, 0.0000000000000000, -0.0043625500000000 ] - [ 0.0008457600000000, 0.0000000000000000, 0.0020355600000000 ] - [ 0.0004380900000000, -0.0001866400000000, 0.0007091100000000 ] - [ 0.0004380900000000, 0.0001866400000000, 0.0007091100000000 ] - [ 0.0010177800000000, 0.0000834600000000, 0.0003803800000000 ] - [ 0.0010177800000000, -0.0000834600000000, 0.0003803800000000 ] - [ -0.0009265000000000, -0.0000088500000000, -0.0001146900000000 ] - [ -0.0009265000000000, 0.0000088500000000, -0.0001146900000000 ] - [ -0.0011740500000000, 0.0000000000000000, -0.0001969400000000 ] - [ -0.0007014700000000, 0.0000000000000000, 0.0001039700000000 ] - [ 0.0001110800000000, 0.0002692100000000, 0.0025003100000000 ] - [ 0.0001110800000000, -0.0002692100000000, 0.0025003100000000 ] - [ 0.0029839900000000, 0.0000000000000000, -0.0000671500000000 ] - [ 0.0029963300000000, 0.0000000000000000, -0.0000841200000000 ] - [ -0.0008016400000000, 0.0000000000000000, -0.0000851300000000 ] - [ -0.0006518600000000, 0.0000000000000000, -0.0000034700000000 ] - [ -0.0027286400000000, -0.0006903500000000, 0.0007109800000000 ] - [ -0.0027286400000000, 0.0006903500000000, 0.0007109800000000 ] - [ 0.0036449900000000, -0.0001904400000000, -0.0014365200000000 ] - [ 0.0036449900000000, 0.0001904400000000, -0.0014365200000000 ] - [ 0.0015070800000000, 0.0000000000000000, 0.0031246500000000 ] - [ 0.0016936900000000, 0.0000000000000000, 0.0026610400000000 ] - [ 0.0000596200000000, -0.0000123100000000, 0.0002177700000000 ] - [ 0.0000596200000000, 0.0000123100000000, 0.0002177700000000 ] - [ 0.0000183100000000, 0.0000000000000000, 0.0002601400000000 ] - [ 0.0009825200000000, 0.0000000000000000, 0.0004122100000000 ] - [ 0.0007835000000000, -0.0002195100000000, 0.0003852000000000 ] - [ 0.0007835000000000, 0.0002195100000000, 0.0003852000000000 ] - [ -0.0011543100000000, -0.0000027200000000, -0.0001718700000000 ] - [ -0.0011543100000000, 0.0000027200000000, -0.0001718700000000 ] - [ -0.0001252200000000, -0.0014163300000000, -0.0015685100000000 ] - [ -0.0001252200000000, 0.0014163300000000, -0.0015685100000000 ] - [ -0.0005004300000000, 0.0000000000000000, -0.0016450700000000 ] - [ -0.0003951000000000, 0.0000000000000000, -0.0014635500000000 ] - [ -0.0054252200000000, 0.0000000000000000, -0.0008359500000000 ] - [ -0.0053562000000000, 0.0000000000000000, -0.0008264700000000 ] - [ -0.0015049900000000, 0.0000000000000000, -0.0002220900000000 ] - [ -0.0002293800000000, 0.0000000000000000, 0.0002740600000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024855200000000, -0.0000011400000000, -0.0009459100000000 ] - [ 0.0019019300000000, -0.0000018700000000, -0.0014229400000000 ] - [ -0.0031119700000000, -0.0000001800000000, 0.0001724300000000 ] - [ -0.0039229600000000, 0.0000104700000000, -0.0002805000000000 ] - [ -0.0012859700000000, 0.0170966500000000, -0.0007586900000000 ] - [ -0.0013411600000000, -0.0059778900000000, -0.0000463900000000 ] - [ 0.0021940000000000, 0.0002754800000000, -0.0012079100000000 ] - [ 0.0021921700000000, -0.0001103800000000, -0.0011564300000000 ] - [ -0.0035203600000000, 0.0002246100000000, -0.0000624300000000 ] - [ -0.0034978600000000, -0.0001780200000000, -0.0000549700000000 ] - [ -0.0012909200000000, -0.0000006000000000, -0.0000179600000000 ] - [ -0.0013974600000000, 0.0000008100000000, -0.0000501100000000 ] - [ -0.0004702000000000, 0.0002090700000000, 0.0002176200000000 ] - [ -0.0005689700000000, 0.0002668300000000, -0.0038923300000000 ] - [ -0.0002876000000000, 0.0000218700000000, -0.0023186400000000 ] - [ -0.0063255200000000, 0.0000492400000000, 0.0007385900000000 ] - [ -0.0011851200000000, 0.0001058200000000, -0.0022033300000000 ] - [ -0.0011823600000000, -0.0001052200000000, -0.0022037700000000 ] - [ -0.0009568400000000, -0.0002525600000000, 0.0038449400000000 ] - [ -0.0068750900000000, -0.0002255100000000, -0.0001372300000000 ] - [ 0.0036545100000000, 0.0067575700000000, 0.0001083000000000 ] - [ 0.0036291600000000, -0.0129383600000000, -0.0002684100000000 ] - [ -0.0005292300000000, 0.0000023600000000, 0.0027821300000000 ] - [ -0.0012529700000000, 0.0000016900000000, 0.0026070900000000 ] - [ -0.0005260500000000, 0.0000156400000000, -0.0018320800000000 ] - [ -0.0005180400000000, -0.0000143800000000, -0.0018286400000000 ] - [ -0.0032868800000000, 0.0000238600000000, -0.0007994800000000 ] - [ -0.0032849600000000, -0.0000231500000000, -0.0007978400000000 ] - [ -0.0013689500000000, -0.0000069200000000, -0.0026968400000000 ] - [ -0.0010061600000000, 0.0000048500000000, -0.0016936100000000 ] - [ -0.0039165900000000, 0.0000181300000000, 0.0018621600000000 ] - [ -0.0039088600000000, -0.0000110500000000, 0.0018694600000000 ] - [ 0.0036976700000000, -0.0000005600000000, -0.0002117300000000 ] - [ 0.0035058200000000, 0.0000004200000000, -0.0003534100000000 ] - [ -0.0009172500000000, 0.0007346900000000, 0.0026993300000000 ] - [ -0.0008801400000000, -0.0001644300000000, 0.0026943500000000 ] - [ -0.0002294800000000, -0.0000214500000000, -0.0004106800000000 ] - [ -0.0000050200000000, -0.0000269000000000, 0.0011604300000000 ] - [ 0.0049554000000000, 0.0000006700000000, 0.0014490300000000 ] - [ 0.0049942100000000, -0.0000003600000000, 0.0014569900000000 ] - [ 0.0005949000000000, 0.0000002900000000, 0.0007181500000000 ] - [ 0.0006556200000000, 0.0000002000000000, 0.0009678000000000 ] - [ 0.0006101100000000, 0.0000191300000000, 0.0008584500000000 ] - [ 0.0006232500000000, 0.0012905700000000, 0.0009206600000000 ] - [ 0.0020691800000000, -0.0000102100000000, 0.0001300700000000 ] - [ 0.0020629600000000, 0.0000038200000000, 0.0001289700000000 ] - [ 0.0001908200000000, -0.0027284100000000, -0.0000251100000000 ] - [ 0.0001182800000000, 0.0005791700000000, -0.0000149800000000 ] - [ -0.0011646700000000, -0.0000329800000000, -0.0003696400000000 ] - [ -0.0001897000000000, -0.0000380200000000, 0.0004809500000000 ] - [ -0.0000688800000000, -0.0000097000000000, -0.0000727500000000 ] - [ -0.0000692400000000, 0.0000093900000000, -0.0000718100000000 ] - [ 0.0032782800000000, -0.0000280900000000, -0.0000381300000000 ] - [ 0.0032188500000000, -0.0000500400000000, -0.0002626800000000 ] - [ -0.0016852600000000, 0.0038045800000000, -0.0085309700000000 ] - [ 0.0009601400000000, 0.0038337700000000, 0.0089158900000000 ] - [ -0.0030606100000000, -0.0001913700000000, 0.0005714300000000 ] - [ -0.0030604900000000, 0.0001868000000000, 0.0005713500000000 ] - [ 0.0039237500000000, -0.0030244200000000, -0.0014068400000000 ] - [ 0.0039502400000000, 0.0012700300000000, -0.0013902500000000 ] - [ 0.0014319000000000, 0.0000002700000000, 0.0022178000000000 ] - [ 0.0016085400000000, 0.0000001300000000, 0.0023035000000000 ] - [ 0.0000220100000000, -0.0356602400000000, 0.0009398800000000 ] - [ 0.0002104100000000, 0.0016794000000000, 0.0005781500000000 ] - [ 0.0007843800000000, -0.0000144400000000, 0.0000344900000000 ] - [ 0.0021887400000000, -0.0000161100000000, 0.0006234100000000 ] - [ 0.0002511900000000, -0.0000108200000000, 0.0000770800000000 ] - [ 0.0002480200000000, 0.0000104300000000, 0.0000771600000000 ] - [ -0.0004642300000000, -0.0031658500000000, -0.0001251400000000 ] - [ -0.0005081400000000, 0.0003666800000000, -0.0001348500000000 ] - [ 0.0000909100000000, -0.0001603100000000, -0.0023480200000000 ] - [ 0.0000911200000000, 0.0001616900000000, -0.0023478000000000 ] - [ -0.0016075200000000, 0.0006317200000000, -0.0015148700000000 ] - [ 0.0010262600000000, 0.0006380700000000, -0.0009012100000000 ] - [ -0.0066867100000000, 0.0111440800000000, 0.0092935800000000 ] - [ -0.0033333800000000, 0.0112882700000000, -0.0109381000000000 ] - [ -0.0002656900000000, -0.0000004100000000, 0.0001047200000000 ] - [ -0.0001323500000000, -0.0000011100000000, 0.0002701000000000 ] - [ -0.0001164900000000, 0.0000106900000000, 0.0003773000000000 ] - [ -0.0001194600000000, 0.0000089100000000, 0.0003703100000000 ] - [ 0.0049602100000000, -0.0019957700000000, 0.0014626200000000 ] - [ 0.0049829400000000, 0.0013238100000000, 0.0014533700000000 ] - [ 0.0006128700000000, 0.0025963300000000, 0.0009466400000000 ] - [ 0.0006225500000000, 0.0012216900000000, 0.0008038300000000 ] - [ 0.0006190600000000, 0.0000021100000000, 0.0009043100000000 ] - [ 0.0006256800000000, -0.0000012300000000, 0.0009153400000000 ] - [ 0.0012012400000000, -0.0000337700000000, 0.0003233000000000 ] - [ 0.0029488200000000, -0.0000354800000000, -0.0000694300000000 ] - [ 0.0000159600000000, 0.0000001300000000, -0.0000384200000000 ] - [ 0.0002459000000000, -0.0000001100000000, 0.0000067600000000 ] - [ -0.0006672200000000, -0.0000027900000000, 0.0000559800000000 ] - [ -0.0006819800000000, -0.0000007200000000, 0.0000499000000000 ] - [ -0.0003445400000000, 0.0000053800000000, 0.0005749600000000 ] - [ 0.0002094900000000, 0.0000019700000000, -0.0007368300000000 ] - [ 0.0032483500000000, -0.0002678600000000, -0.0001509700000000 ] - [ 0.0032484400000000, 0.0002641900000000, -0.0001509100000000 ] - [ -0.0003699300000000, -0.0000161500000000, 0.0001331200000000 ] - [ -0.0003715900000000, 0.0000168000000000, 0.0001323600000000 ] - [ -0.0029117900000000, 0.0000292000000000, 0.0005716000000000 ] - [ -0.0032085700000000, -0.0000008900000000, 0.0005687000000000 ] - [ 0.0039423300000000, 0.0000016400000000, -0.0013939100000000 ] - [ 0.0039536900000000, -0.0000023800000000, -0.0013930800000000 ] - [ 0.0015188800000000, -0.0001807800000000, 0.0022583800000000 ] - [ 0.0015213200000000, 0.0002139800000000, 0.0022598000000000 ] - [ 0.0001956100000000, 0.0000008600000000, 0.0005280700000000 ] - [ 0.0002189600000000, 0.0000006100000000, 0.0005900900000000 ] - [ 0.0014916200000000, 0.0000707700000000, 0.0003310800000000 ] - [ 0.0014841200000000, 0.0000057700000000, 0.0003257200000000 ] - [ 0.0003777900000000, -0.0000217400000000, 0.0000232700000000 ] - [ 0.0001295800000000, -0.0000263100000000, 0.0001301000000000 ] - [ -0.0006131000000000, 0.0000008100000000, -0.0001542200000000 ] - [ -0.0003610700000000, -0.0000001500000000, -0.0001085200000000 ] - [ 0.0000498700000000, -0.0002296800000000, -0.0023639800000000 ] - [ 0.0001309300000000, -0.0002445600000000, -0.0023353400000000 ] - [ -0.0003008500000000, -0.0000046900000000, -0.0012108200000000 ] - [ -0.0003012200000000, 0.0000024200000000, -0.0012144200000000 ] - [ -0.0050317200000000, -0.0000599200000000, -0.0007255900000000 ] - [ -0.0050321200000000, 0.0000604200000000, -0.0007259100000000 ] - [ -0.0001951200000000, -0.0003418700000000, 0.0001882300000000 ] - [ -0.0002019100000000, 0.0000926100000000, 0.0001862300000000 ]- atom: 63 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0014927600000000, 0.0000467700000000, -0.0035334400000000 ] - [ -0.0014927600000000, -0.0000467700000000, -0.0035334400000000 ] - [ -0.0002936300000000, 0.0000764600000000, -0.0032060000000000 ] - [ -0.0002936300000000, -0.0000764600000000, -0.0032060000000000 ] - [ -0.0143837500000000, 0.0000000000000000, 0.1724248400000000 ] - [ 0.0026705900000000, 0.0000000000000000, 0.0145977500000000 ] - [ 0.0033582700000000, 0.0000000000000000, -0.0211377100000000 ] - [ 0.0024542900000000, 0.0000000000000000, -0.0092568400000000 ] - [ -0.0245615800000000, 0.0000000000000000, 0.0054035700000000 ] - [ -0.0089703600000000, 0.0000000000000000, 0.0025011800000000 ] - [ -0.0025454500000000, -0.0000813400000000, -0.0014327100000000 ] - [ -0.0025454500000000, 0.0000813400000000, -0.0014327100000000 ] - [ 0.0007069000000000, 0.0085404000000000, -0.0113232900000000 ] - [ 0.0007069000000000, -0.0085404000000000, -0.0113232900000000 ] - [ 0.0108667700000000, -0.0067806500000000, 0.0018524900000000 ] - [ 0.0108667700000000, 0.0067806500000000, 0.0018524900000000 ] - [ -0.0049556600000000, 0.0000000000000000, -0.0031960500000000 ] - [ -0.0044294600000000, 0.0000000000000000, -0.0032069300000000 ] - [ -0.0150497300000000, 0.0037484200000000, 0.0103974300000000 ] - [ -0.0150497300000000, -0.0037484200000000, 0.0103974300000000 ] - [ 0.0040857400000000, 0.0000000000000000, 0.0053511500000000 ] - [ -0.0032259600000000, 0.0000000000000000, 0.0085174100000000 ] - [ -0.0038085800000000, -0.0000181000000000, 0.0029575400000000 ] - [ -0.0038085800000000, 0.0000181000000000, 0.0029575400000000 ] - [ -0.0053477100000000, 0.0000000000000000, -0.0057899200000000 ] - [ -0.0035333900000000, 0.0000000000000000, -0.0038542700000000 ] - [ -0.0061537900000000, 0.0000000000000000, -0.0009836900000000 ] - [ -0.0057014200000000, 0.0000000000000000, -0.0012751700000000 ] - [ 0.0097081100000000, 0.0007601800000000, -0.0112414200000000 ] - [ 0.0097081100000000, -0.0007601800000000, -0.0112414200000000 ] - [ -0.0018691200000000, 0.0000000000000000, -0.0005805500000000 ] - [ -0.0029318400000000, 0.0000000000000000, 0.0002481000000000 ] - [ 0.0021196200000000, -0.0000427500000000, -0.0024113200000000 ] - [ 0.0021196200000000, 0.0000427500000000, -0.0024113200000000 ] - [ 0.0364315400000000, 0.0000000000000000, 0.0086484500000000 ] - [ 0.0051077300000000, 0.0000000000000000, 0.0056913300000000 ] - [ -0.0001678300000000, -0.0006543000000000, 0.0063319400000000 ] - [ -0.0001678300000000, 0.0006543000000000, 0.0063319400000000 ] - [ 0.0056738500000000, 0.0000557200000000, 0.0016394700000000 ] - [ 0.0056738500000000, -0.0000557200000000, 0.0016394700000000 ] - [ 0.0009956900000000, -0.0000038500000000, 0.0030339100000000 ] - [ 0.0009956900000000, 0.0000038500000000, 0.0030339100000000 ] - [ 0.0046770000000000, 0.0000000000000000, 0.0228612000000000 ] - [ -0.0001077400000000, 0.0000000000000000, 0.0015148300000000 ] - [ 0.0066430100000000, 0.0000000000000000, -0.0002573800000000 ] - [ 0.0049092800000000, 0.0000000000000000, -0.0001121200000000 ] - [ -0.0616939000000000, 0.0000000000000000, 0.0097485800000000 ] - [ -0.0035730300000000, 0.0000000000000000, -0.0006544400000000 ] - [ 0.0037642800000000, -0.0006391600000000, 0.0010849400000000 ] - [ 0.0037642800000000, 0.0006391600000000, 0.0010849400000000 ] - [ 0.0003506500000000, 0.0000000000000000, 0.0009676500000000 ] - [ 0.0003324700000000, 0.0000000000000000, 0.0009888200000000 ] - [ 0.0055055900000000, 0.0018997000000000, -0.0011024100000000 ] - [ 0.0055055900000000, -0.0018997000000000, -0.0011024100000000 ] - [ 0.0074034200000000, -0.0225750800000000, 0.0050258900000000 ] - [ 0.0074034200000000, 0.0225750800000000, 0.0050258900000000 ] - [ -0.0013042800000000, 0.0000000000000000, 0.0008986000000000 ] - [ -0.0014967200000000, 0.0000000000000000, 0.0008684000000000 ] - [ 0.0153368400000000, 0.0000000000000000, -0.0016290300000000 ] - [ 0.0067736500000000, 0.0000000000000000, -0.0026236000000000 ] - [ 0.0026674300000000, 0.0000692200000000, 0.0025711000000000 ] - [ 0.0026674300000000, -0.0000692200000000, 0.0025711000000000 ] - [ 0.0294344100000000, 0.0000000000000000, -0.2852181000000000 ] - [ 0.0006033500000000, 0.0000000000000000, -0.0196278200000000 ] - [ 0.0051614100000000, -0.0002283400000000, 0.0008168400000000 ] - [ 0.0051614100000000, 0.0002283400000000, 0.0008168400000000 ] - [ 0.0039460600000000, 0.0000000000000000, 0.0002484500000000 ] - [ 0.0030814500000000, 0.0000000000000000, 0.0002009900000000 ] - [ 0.0350806800000000, 0.0000000000000000, 0.0036953500000000 ] - [ 0.0044158000000000, 0.0000000000000000, -0.0011340800000000 ] - [ 0.0007524300000000, 0.0000000000000000, -0.0020178600000000 ] - [ 0.0007303700000000, 0.0000000000000000, -0.0020691100000000 ] - [ -0.0011223100000000, 0.0006751900000000, -0.0120184600000000 ] - [ -0.0011223100000000, -0.0006751900000000, -0.0120184600000000 ] - [ -0.0121429500000000, 0.0286604100000000, 0.0091100100000000 ] - [ -0.0121429500000000, -0.0286604100000000, 0.0091100100000000 ] - [ -0.0002656600000000, -0.0000043500000000, 0.0001812800000000 ] - [ -0.0002656600000000, 0.0000043500000000, 0.0001812800000000 ] - [ 0.0019310400000000, 0.0000000000000000, 0.0038798700000000 ] - [ 0.0005463600000000, 0.0000000000000000, 0.0017384200000000 ] - [ -0.0111221800000000, 0.0000000000000000, 0.0091140900000000 ] - [ 0.0022135600000000, 0.0000000000000000, 0.0008122400000000 ] - [ -0.0029728600000000, 0.0000000000000000, 0.0453970200000000 ] - [ 0.0010657500000000, 0.0000000000000000, 0.0093094400000000 ] - [ 0.0012917900000000, 0.0005901200000000, 0.0017996400000000 ] - [ 0.0012917900000000, -0.0005901200000000, 0.0017996400000000 ] - [ -0.0040477900000000, 0.0002475900000000, 0.0005286800000000 ] - [ -0.0040477900000000, -0.0002475900000000, 0.0005286800000000 ] - [ 0.0018210500000000, 0.0000123400000000, 0.0002230200000000 ] - [ 0.0018210500000000, -0.0000123400000000, 0.0002230200000000 ] - [ 0.0033436800000000, 0.0000000000000000, 0.0031493200000000 ] - [ 0.0011486200000000, 0.0000000000000000, 0.0016292400000000 ] - [ -0.0021147600000000, 0.0006469200000000, 0.0060299700000000 ] - [ -0.0021147600000000, -0.0006469200000000, 0.0060299700000000 ] - [ 0.0025090800000000, 0.0000000000000000, 0.0006645100000000 ] - [ 0.0025325700000000, 0.0000000000000000, 0.0005991000000000 ] - [ -0.0001141700000000, 0.0000000000000000, 0.0012841700000000 ] - [ -0.0000961000000000, 0.0000000000000000, 0.0008922500000000 ] - [ -0.0068979600000000, 0.0023194400000000, 0.0027853900000000 ] - [ -0.0068979600000000, -0.0023194400000000, 0.0027853900000000 ] - [ 0.0040382600000000, 0.0000154500000000, -0.0008786900000000 ] - [ 0.0040382600000000, -0.0000154500000000, -0.0008786900000000 ] - [ -0.0024510800000000, 0.0000000000000000, 0.0051330100000000 ] - [ -0.0006596600000000, 0.0000000000000000, 0.0036294600000000 ] - [ 0.0004309300000000, 0.0000112200000000, 0.0016888800000000 ] - [ 0.0004309300000000, -0.0000112200000000, 0.0016888800000000 ] - [ -0.0056861600000000, 0.0000000000000000, 0.0046238100000000 ] - [ -0.0014391800000000, 0.0000000000000000, 0.0019885300000000 ] - [ -0.0077618100000000, -0.0009195200000000, 0.0020564800000000 ] - [ -0.0077618100000000, 0.0009195200000000, 0.0020564800000000 ] - [ -0.0001298300000000, 0.0000005900000000, 0.0001903700000000 ] - [ -0.0001298300000000, -0.0000005900000000, 0.0001903700000000 ] - [ -0.0027305300000000, -0.0053607400000000, 0.0002958000000000 ] - [ -0.0027305300000000, 0.0053607400000000, 0.0002958000000000 ] - [ -0.0001929400000000, 0.0000000000000000, -0.0013312100000000 ] - [ -0.0002094100000000, 0.0000000000000000, -0.0010667400000000 ] - [ -0.0041301100000000, 0.0000000000000000, -0.0004226100000000 ] - [ -0.0042704000000000, 0.0000000000000000, -0.0004247500000000 ] - [ -0.0015825300000000, 0.0000000000000000, -0.0137436000000000 ] - [ -0.0004668200000000, 0.0000000000000000, -0.0045141300000000 ]- atom: 63 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0059030400000000, -0.0000458900000000, 0.0011990800000000 ] - [ 0.0059030400000000, 0.0000458900000000, 0.0011990800000000 ] - [ -0.0067339200000000, -0.0000809300000000, 0.0030972600000000 ] - [ -0.0067339200000000, 0.0000809300000000, 0.0030972600000000 ] - [ 0.0115716100000000, 0.0000000000000000, -0.1605957500000000 ] - [ -0.0053984200000000, 0.0000000000000000, -0.0146262400000000 ] - [ 0.0010289100000000, 0.0000000000000000, 0.0189116600000000 ] - [ 0.0019364500000000, 0.0000000000000000, 0.0069162300000000 ] - [ 0.0176617800000000, 0.0000000000000000, -0.0055050000000000 ] - [ 0.0019544700000000, 0.0000000000000000, -0.0026281400000000 ] - [ -0.0001201900000000, 0.0000843300000000, 0.0013746200000000 ] - [ -0.0001201900000000, -0.0000843300000000, 0.0013746200000000 ] - [ -0.0017919700000000, -0.0085084500000000, 0.0077086900000000 ] - [ -0.0017919700000000, 0.0085084500000000, 0.0077086900000000 ] - [ -0.0174829100000000, 0.0067842400000000, -0.0035795000000000 ] - [ -0.0174829100000000, -0.0067842400000000, -0.0035795000000000 ] - [ 0.0026276600000000, 0.0000000000000000, -0.0011866400000000 ] - [ 0.0020983700000000, 0.0000000000000000, -0.0011794100000000 ] - [ 0.0073316900000000, -0.0038522600000000, -0.0066074700000000 ] - [ 0.0073316900000000, 0.0038522600000000, -0.0066074700000000 ] - [ 0.0026024300000000, 0.0000000000000000, -0.0093066500000000 ] - [ 0.0104825700000000, 0.0000000000000000, -0.0092045600000000 ] - [ 0.0020678800000000, 0.0000194900000000, 0.0024360400000000 ] - [ 0.0020678800000000, -0.0000194900000000, 0.0024360400000000 ] - [ 0.0043455900000000, 0.0000000000000000, 0.0021585100000000 ] - [ 0.0025143200000000, 0.0000000000000000, 0.0002091300000000 ] - [ -0.0003786500000000, 0.0000000000000000, -0.0005970100000000 ] - [ -0.0008487700000000, 0.0000000000000000, -0.0003058400000000 ] - [ -0.0121407100000000, -0.0007520700000000, 0.0068435600000000 ] - [ -0.0121407100000000, 0.0007520700000000, 0.0068435600000000 ] - [ -0.0059361800000000, 0.0000000000000000, 0.0043333400000000 ] - [ -0.0048803300000000, 0.0000000000000000, 0.0034935400000000 ] - [ 0.0051000500000000, 0.0000439300000000, 0.0018649200000000 ] - [ 0.0051000500000000, -0.0000439300000000, 0.0018649200000000 ] - [ -0.0382356800000000, 0.0000000000000000, -0.0031497700000000 ] - [ -0.0069649000000000, 0.0000000000000000, -0.0002894800000000 ] - [ -0.0000743800000000, 0.0006537200000000, -0.0055925800000000 ] - [ -0.0000743800000000, -0.0006537200000000, -0.0055925800000000 ] - [ 0.0042717800000000, -0.0000596100000000, 0.0012632700000000 ] - [ 0.0042717800000000, 0.0000596100000000, 0.0012632700000000 ] - [ 0.0002538500000000, 0.0000035600000000, -0.0013788400000000 ] - [ 0.0002538500000000, -0.0000035600000000, -0.0013788400000000 ] - [ -0.0034016500000000, 0.0000000000000000, -0.0208615800000000 ] - [ 0.0013532600000000, 0.0000000000000000, 0.0002897600000000 ] - [ -0.0025588800000000, 0.0000000000000000, 0.0005158300000000 ] - [ -0.0007964900000000, 0.0000000000000000, 0.0003717400000000 ] - [ 0.0615784200000000, 0.0000000000000000, -0.0097491000000000 ] - [ 0.0039047300000000, 0.0000000000000000, 0.0006162800000000 ] - [ -0.0051218500000000, 0.0006453000000000, -0.0010112100000000 ] - [ -0.0051218500000000, -0.0006453000000000, -0.0010112100000000 ] - [ -0.0004880500000000, 0.0000000000000000, -0.0011315100000000 ] - [ -0.0004689600000000, 0.0000000000000000, -0.0011459300000000 ] - [ 0.0009845700000000, -0.0019155800000000, 0.0008064400000000 ] - [ 0.0009845700000000, 0.0019155800000000, 0.0008064400000000 ] - [ -0.0081225300000000, 0.0225372100000000, -0.0049141300000000 ] - [ -0.0081225300000000, -0.0225372100000000, -0.0049141300000000 ] - [ -0.0048273200000000, 0.0000000000000000, 0.0002335900000000 ] - [ -0.0046324100000000, 0.0000000000000000, 0.0002644200000000 ] - [ -0.0075480000000000, 0.0000000000000000, -0.0013240000000000 ] - [ 0.0011330400000000, 0.0000000000000000, -0.0001775200000000 ] - [ 0.0003641200000000, -0.0000704800000000, 0.0019418500000000 ] - [ 0.0003641200000000, 0.0000704800000000, 0.0019418500000000 ] - [ -0.0281290700000000, 0.0000000000000000, 0.2783758400000000 ] - [ -0.0001826600000000, 0.0000000000000000, 0.0208286200000000 ] - [ -0.0022354800000000, 0.0002315400000000, -0.0001809700000000 ] - [ -0.0022354800000000, -0.0002315400000000, -0.0001809700000000 ] - [ -0.0034841100000000, 0.0000000000000000, -0.0000895800000000 ] - [ -0.0026117200000000, 0.0000000000000000, -0.0000412100000000 ] - [ -0.0364665200000000, 0.0000000000000000, -0.0037471900000000 ] - [ -0.0054214000000000, 0.0000000000000000, 0.0008864100000000 ] - [ -0.0005846100000000, 0.0000000000000000, -0.0026849300000000 ] - [ -0.0005619100000000, 0.0000000000000000, -0.0026318500000000 ] - [ 0.0004913400000000, -0.0006499900000000, 0.0096595800000000 ] - [ 0.0004913400000000, 0.0006499900000000, 0.0096595800000000 ] - [ 0.0021446800000000, -0.0290204800000000, -0.0105983100000000 ] - [ 0.0021446800000000, 0.0290204800000000, -0.0105983100000000 ] - [ -0.0001419900000000, 0.0000042500000000, 0.0001884400000000 ] - [ -0.0001419900000000, -0.0000042500000000, 0.0001884400000000 ] - [ -0.0021816800000000, 0.0000000000000000, -0.0031569900000000 ] - [ -0.0007942200000000, 0.0000000000000000, -0.0009999500000000 ] - [ 0.0212818500000000, 0.0000000000000000, -0.0063029600000000 ] - [ 0.0077653200000000, 0.0000000000000000, 0.0021097700000000 ] - [ 0.0042797500000000, 0.0000000000000000, -0.0441714300000000 ] - [ 0.0001854200000000, 0.0000000000000000, -0.0076380500000000 ] - [ -0.0000604200000000, -0.0005981100000000, 0.0000168500000000 ] - [ -0.0000604200000000, 0.0005981100000000, 0.0000168500000000 ] - [ 0.0082048700000000, -0.0002506700000000, -0.0002614500000000 ] - [ 0.0082048700000000, 0.0002506700000000, -0.0002614500000000 ] - [ -0.0015810000000000, -0.0000127600000000, -0.0002558100000000 ] - [ -0.0015810000000000, 0.0000127600000000, -0.0002558100000000 ] - [ -0.0047369600000000, 0.0000000000000000, -0.0030642600000000 ] - [ -0.0025235800000000, 0.0000000000000000, -0.0015368100000000 ] - [ 0.0019899600000000, -0.0006482900000000, -0.0061576500000000 ] - [ 0.0019899600000000, 0.0006482900000000, -0.0061576500000000 ] - [ 0.0039885900000000, 0.0000000000000000, -0.0009654700000000 ] - [ 0.0039643900000000, 0.0000000000000000, -0.0009001500000000 ] - [ -0.0006395500000000, 0.0000000000000000, -0.0010274200000000 ] - [ -0.0006539600000000, 0.0000000000000000, -0.0006325800000000 ] - [ 0.0008111300000000, -0.0023408300000000, -0.0016572700000000 ] - [ 0.0008111300000000, 0.0023408300000000, -0.0016572700000000 ] - [ 0.0038539800000000, -0.0000211400000000, -0.0019175900000000 ] - [ 0.0038539800000000, 0.0000211400000000, -0.0019175900000000 ] - [ 0.0055125300000000, 0.0000000000000000, -0.0006161200000000 ] - [ 0.0037175400000000, 0.0000000000000000, 0.0008845700000000 ] - [ -0.0000183400000000, -0.0000118100000000, -0.0005742000000000 ] - [ -0.0000183400000000, 0.0000118100000000, -0.0005742000000000 ] - [ 0.0086505300000000, 0.0000000000000000, -0.0039969500000000 ] - [ 0.0044212500000000, 0.0000000000000000, -0.0013533100000000 ] - [ 0.0083096800000000, 0.0009186500000000, -0.0019036000000000 ] - [ 0.0083096800000000, -0.0009186500000000, -0.0019036000000000 ] - [ -0.0008601000000000, -0.0000006800000000, -0.0004556200000000 ] - [ -0.0008601000000000, 0.0000006800000000, -0.0004556200000000 ] - [ 0.0029191900000000, 0.0053380800000000, -0.0049964800000000 ] - [ 0.0029191900000000, -0.0053380800000000, -0.0049964800000000 ] - [ -0.0004061700000000, 0.0000000000000000, -0.0011065100000000 ] - [ -0.0003880500000000, 0.0000000000000000, -0.0013698700000000 ] - [ -0.0059424800000000, 0.0000000000000000, -0.0010333300000000 ] - [ -0.0057980400000000, 0.0000000000000000, -0.0010312500000000 ] - [ 0.0012111700000000, 0.0000000000000000, 0.0140503900000000 ] - [ 0.0000674000000000, 0.0000000000000000, 0.0048968700000000 ]- atom: 65 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0268686200000000, 0.0000000000000000, -0.0051276000000000 ] - [ 0.0113861800000000, 0.0000000000000000, 0.0030947000000000 ] - [ 0.0053578100000000, 0.0000000000000000, 0.0184589900000000 ] - [ 0.0021404000000000, 0.0000000000000000, 0.0083349700000000 ] - [ -0.0110372000000000, 0.0075902800000000, -0.0016555000000000 ] - [ -0.0110372000000000, -0.0075902800000000, -0.0016555000000000 ] - [ -0.0021953400000000, 0.0001733400000000, -0.0051076800000000 ] - [ -0.0021953400000000, -0.0001733400000000, -0.0051076800000000 ] - [ -0.0089086600000000, 0.0000027700000000, -0.0044130400000000 ] - [ -0.0089086600000000, -0.0000027700000000, -0.0044130400000000 ] - [ -0.0191884800000000, 0.0000000000000000, 0.0029847600000000 ] - [ -0.0083125400000000, 0.0000000000000000, 0.0011436600000000 ] - [ -0.0047992300000000, 0.0000000000000000, 0.0080759300000000 ] - [ 0.0009282500000000, 0.0000000000000000, 0.0039867600000000 ] - [ 0.0009758700000000, 0.0000000000000000, -0.0242667100000000 ] - [ 0.0011611700000000, 0.0000000000000000, -0.0054867100000000 ] - [ -0.0009006800000000, -0.0062504000000000, -0.0123501800000000 ] - [ -0.0009006800000000, 0.0062504000000000, -0.0123501800000000 ] - [ 0.1641245700000000, 0.0000000000000000, 0.0415762600000000 ] - [ 0.0115011400000000, 0.0000000000000000, 0.0053123300000000 ] - [ -0.0011920000000000, 0.0011249500000000, -0.0068182600000000 ] - [ -0.0011920000000000, -0.0011249500000000, -0.0068182600000000 ] - [ -0.0094903400000000, 0.0000000000000000, -0.0119220800000000 ] - [ 0.0067050000000000, 0.0000000000000000, 0.0098690700000000 ] - [ -0.0074113500000000, -0.0006930500000000, -0.0054490800000000 ] - [ -0.0074113500000000, 0.0006930500000000, -0.0054490800000000 ] - [ -0.0062610500000000, -0.0002636000000000, -0.0045067200000000 ] - [ -0.0062610500000000, 0.0002636000000000, -0.0045067200000000 ] - [ -0.0053586100000000, 0.0000000000000000, -0.0039320900000000 ] - [ -0.0037107400000000, 0.0000000000000000, -0.0031082800000000 ] - [ -0.0106019100000000, -0.0006575300000000, -0.0008993600000000 ] - [ -0.0106019100000000, 0.0006575300000000, -0.0008993600000000 ] - [ 0.0042085500000000, 0.0000000000000000, 0.0066993800000000 ] - [ 0.0051293300000000, 0.0000000000000000, 0.0032427900000000 ] - [ -0.0090363900000000, 0.0002162300000000, 0.0007703800000000 ] - [ -0.0090363900000000, -0.0002162300000000, 0.0007703800000000 ] - [ -0.0005666900000000, 0.0000000000000000, -0.0076777200000000 ] - [ -0.0007628400000000, 0.0000000000000000, -0.0048565900000000 ] - [ 0.0055322700000000, 0.0000000000000000, 0.0017600200000000 ] - [ 0.0051736400000000, 0.0000000000000000, 0.0019401300000000 ] - [ -0.0000605800000000, 0.0000000000000000, -0.0014866500000000 ] - [ -0.0002207700000000, 0.0000000000000000, -0.0011770600000000 ] - [ 0.0010867900000000, -0.0022555000000000, -0.0013252600000000 ] - [ 0.0010867900000000, 0.0022555000000000, -0.0013252600000000 ] - [ 0.0057352300000000, 0.0000066900000000, 0.0006945900000000 ] - [ 0.0057352300000000, -0.0000066900000000, 0.0006945900000000 ] - [ 0.0084047100000000, -0.0006125700000000, 0.0000175200000000 ] - [ 0.0084047100000000, 0.0006125700000000, 0.0000175200000000 ] - [ 0.0075601400000000, 0.0000000000000000, -0.0223515400000000 ] - [ -0.0068393500000000, 0.0000000000000000, -0.0048100100000000 ] - [ -0.0002358600000000, 0.0004790000000000, 0.0051987700000000 ] - [ -0.0002358600000000, -0.0004790000000000, 0.0051987700000000 ] - [ 0.0043362300000000, 0.0000000000000000, 0.0008174100000000 ] - [ 0.0043266200000000, 0.0000000000000000, 0.0008064800000000 ] - [ 0.0231632600000000, 0.0000000000000000, -0.0070974600000000 ] - [ 0.0000243500000000, 0.0000000000000000, -0.0016027000000000 ] - [ -0.0075690600000000, 0.0022863700000000, 0.0022239300000000 ] - [ -0.0075690600000000, -0.0022863700000000, 0.0022239300000000 ] - [ 0.0097043700000000, -0.0268045300000000, -0.0025815700000000 ] - [ 0.0097043700000000, 0.0268045300000000, -0.0025815700000000 ] - [ 0.0116436000000000, 0.0000000000000000, 0.0191547200000000 ] - [ -0.0012020900000000, 0.0000000000000000, 0.0034354100000000 ] - [ 0.0016441900000000, -0.0007026600000000, 0.0056734700000000 ] - [ 0.0016441900000000, 0.0007026600000000, 0.0056734700000000 ] - [ -0.2727639800000000, 0.0000000000000000, -0.0318922400000000 ] - [ -0.0152843300000000, 0.0000000000000000, -0.0018812800000000 ] - [ 0.0041012600000000, 0.0006362700000000, 0.0015122900000000 ] - [ 0.0041012600000000, -0.0006362700000000, 0.0015122900000000 ] - [ 0.0041581100000000, -0.0000271400000000, 0.0007802100000000 ] - [ 0.0041581100000000, 0.0000271400000000, 0.0007802100000000 ] - [ 0.0097109800000000, 0.0233310100000000, 0.0024576000000000 ] - [ 0.0097109800000000, -0.0233310100000000, 0.0024576000000000 ] - [ -0.0015820300000000, 0.0000000000000000, 0.0403732100000000 ] - [ -0.0017139600000000, 0.0000000000000000, 0.0036904800000000 ] - [ -0.0031976600000000, 0.0000000000000000, 0.0010528300000000 ] - [ -0.0047656500000000, 0.0000000000000000, 0.0002836800000000 ] - [ 0.0013103000000000, 0.0000000000000000, -0.0242304400000000 ] - [ -0.0015277500000000, 0.0000000000000000, -0.0067571900000000 ] - [ 0.0008551600000000, 0.0000211700000000, 0.0039310700000000 ] - [ 0.0008551600000000, -0.0000211700000000, 0.0039310700000000 ] - [ 0.0058275500000000, -0.0026692900000000, 0.0030935900000000 ] - [ 0.0058275500000000, 0.0026692900000000, 0.0030935900000000 ] - [ 0.0012153000000000, -0.0001267900000000, 0.0047678200000000 ] - [ 0.0012153000000000, 0.0001267900000000, 0.0047678200000000 ] - [ 0.0024851500000000, 0.0000000000000000, 0.0027082400000000 ] - [ 0.0019285300000000, 0.0000000000000000, 0.0017964100000000 ] - [ -0.0101521700000000, 0.0000000000000000, 0.0013904100000000 ] - [ -0.0040198900000000, 0.0000000000000000, 0.0000654400000000 ] - [ 0.0393808600000000, 0.0000000000000000, 0.0070515300000000 ] - [ 0.0075825200000000, 0.0000000000000000, -0.0008199300000000 ] - [ 0.0043002100000000, 0.0000682600000000, 0.0014553200000000 ] - [ 0.0043002100000000, -0.0000682600000000, 0.0014553200000000 ] - [ 0.0005105800000000, 0.0000000000000000, 0.0037149000000000 ] - [ 0.0000197500000000, 0.0000000000000000, 0.0016052100000000 ] - [ 0.0018378400000000, 0.0007531200000000, -0.0029951400000000 ] - [ 0.0018378400000000, -0.0007531200000000, -0.0029951400000000 ] - [ 0.0027791600000000, 0.0014608700000000, 0.0012384100000000 ] - [ 0.0027791600000000, -0.0014608700000000, 0.0012384100000000 ] - [ -0.0010763900000000, 0.0000000000000000, 0.0011010500000000 ] - [ -0.0014995600000000, 0.0000000000000000, 0.0010367800000000 ] - [ 0.0074081600000000, 0.0000000000000000, -0.0008777700000000 ] - [ 0.0059399400000000, 0.0000000000000000, -0.0011419100000000 ] - [ 0.0029141600000000, -0.0003831100000000, 0.0026487700000000 ] - [ 0.0029141600000000, 0.0003831100000000, 0.0026487700000000 ] - [ 0.0016771400000000, 0.0000000000000000, -0.0069640400000000 ] - [ 0.0007107100000000, 0.0000000000000000, -0.0025532300000000 ] - [ 0.0069336500000000, 0.0000160400000000, 0.0014860600000000 ] - [ 0.0069336500000000, -0.0000160400000000, 0.0014860600000000 ] - [ 0.0035925000000000, 0.0000000000000000, -0.0004962300000000 ] - [ 0.0012966400000000, 0.0000000000000000, -0.0003166600000000 ] - [ -0.0024363400000000, 0.0000000000000000, -0.0025876400000000 ] - [ -0.0029768500000000, 0.0000000000000000, -0.0012114900000000 ] - [ 0.0015615200000000, 0.0000000000000000, -0.0018252200000000 ] - [ 0.0013984900000000, 0.0000000000000000, -0.0021960100000000 ] - [ 0.0002611100000000, 0.0000857100000000, 0.0004014000000000 ] - [ 0.0002611100000000, -0.0000857100000000, 0.0004014000000000 ] - [ -0.0047085000000000, 0.0006011500000000, -0.0012215900000000 ] - [ -0.0047085000000000, -0.0006011500000000, -0.0012215900000000 ] - [ 0.0008177500000000, -0.0000043100000000, 0.0030174500000000 ] - [ 0.0008177500000000, 0.0000043100000000, 0.0030174500000000 ]- atom: 65 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ -0.0223815000000000, 0.0000000000000000, 0.0036448900000000 ] - [ -0.0070382100000000, 0.0000000000000000, -0.0054152300000000 ] - [ -0.0124292800000000, 0.0000000000000000, -0.0183627500000000 ] - [ -0.0091682600000000, 0.0000000000000000, -0.0083994900000000 ] - [ 0.0083195800000000, -0.0076161600000000, 0.0015784800000000 ] - [ 0.0083195800000000, 0.0076161600000000, 0.0015784800000000 ] - [ 0.0065743000000000, -0.0001744700000000, 0.0027359100000000 ] - [ 0.0065743000000000, 0.0001744700000000, 0.0027359100000000 ] - [ 0.0018971000000000, -0.0000019700000000, 0.0042925800000000 ] - [ 0.0018971000000000, 0.0000019700000000, 0.0042925800000000 ] - [ 0.0163104200000000, 0.0000000000000000, -0.0029966900000000 ] - [ 0.0055645000000000, 0.0000000000000000, -0.0011864900000000 ] - [ 0.0036229500000000, 0.0000000000000000, -0.0117281800000000 ] - [ -0.0020237500000000, 0.0000000000000000, -0.0076385300000000 ] - [ -0.0075612100000000, 0.0000000000000000, 0.0227765500000000 ] - [ -0.0077499100000000, 0.0000000000000000, 0.0038612300000000 ] - [ -0.0013107900000000, 0.0062514100000000, 0.0078575200000000 ] - [ -0.0013107900000000, -0.0062514100000000, 0.0078575200000000 ] - [ -0.1836469400000000, 0.0000000000000000, -0.0413253400000000 ] - [ -0.0193988900000000, 0.0000000000000000, -0.0016243300000000 ] - [ 0.0084027700000000, -0.0011308200000000, 0.0062431700000000 ] - [ 0.0084027700000000, 0.0011308200000000, 0.0062431700000000 ] - [ 0.0102721000000000, 0.0000000000000000, 0.0163517500000000 ] - [ -0.0084006200000000, 0.0000000000000000, -0.0044186500000000 ] - [ 0.0063783100000000, 0.0006862900000000, 0.0017554500000000 ] - [ 0.0063783100000000, -0.0006862900000000, 0.0017554500000000 ] - [ -0.0003117700000000, 0.0002640300000000, 0.0029400200000000 ] - [ -0.0003117700000000, -0.0002640300000000, 0.0029400200000000 ] - [ 0.0029584900000000, 0.0000000000000000, -0.0004632300000000 ] - [ 0.0013140800000000, 0.0000000000000000, -0.0012995000000000 ] - [ 0.0027501500000000, 0.0006495900000000, 0.0046421300000000 ] - [ 0.0027501500000000, -0.0006495900000000, 0.0046421300000000 ] - [ 0.0029659600000000, 0.0000000000000000, -0.0070209400000000 ] - [ 0.0020588100000000, 0.0000000000000000, -0.0036927900000000 ] - [ 0.0072483600000000, -0.0002169800000000, 0.0046320400000000 ] - [ 0.0072483600000000, 0.0002169800000000, 0.0046320400000000 ] - [ 0.0003476100000000, 0.0000000000000000, 0.0083766500000000 ] - [ 0.0005346100000000, 0.0000000000000000, 0.0055933000000000 ] - [ 0.0044155800000000, 0.0000000000000000, 0.0011340400000000 ] - [ 0.0047759900000000, 0.0000000000000000, 0.0009581000000000 ] - [ 0.0012994200000000, 0.0000000000000000, 0.0027744100000000 ] - [ 0.0014774700000000, 0.0000000000000000, 0.0027706400000000 ] - [ 0.0001773900000000, 0.0022485700000000, 0.0031553100000000 ] - [ 0.0001773900000000, -0.0022485700000000, 0.0031553100000000 ] - [ -0.0016040100000000, -0.0000064900000000, -0.0004404500000000 ] - [ -0.0016040100000000, 0.0000064900000000, -0.0004404500000000 ] - [ -0.0081348600000000, 0.0006132400000000, -0.0000513900000000 ] - [ -0.0081348600000000, -0.0006132400000000, -0.0000513900000000 ] - [ -0.0088329800000000, 0.0000000000000000, 0.0226173900000000 ] - [ 0.0055372100000000, 0.0000000000000000, 0.0049169100000000 ] - [ 0.0000732800000000, -0.0004758100000000, -0.0053370700000000 ] - [ 0.0000732800000000, 0.0004758100000000, -0.0053370700000000 ] - [ 0.0021675000000000, 0.0000000000000000, -0.0011175900000000 ] - [ 0.0021774100000000, 0.0000000000000000, -0.0011071700000000 ] - [ -0.0241044200000000, 0.0000000000000000, 0.0074442500000000 ] - [ -0.0007503100000000, 0.0000000000000000, 0.0018739400000000 ] - [ 0.0013395800000000, -0.0024736800000000, -0.0012022700000000 ] - [ 0.0013395800000000, 0.0024736800000000, -0.0012022700000000 ] - [ -0.0017358400000000, 0.0269588700000000, -0.0001711800000000 ] - [ -0.0017358400000000, -0.0269588700000000, -0.0001711800000000 ] - [ -0.0085368800000000, 0.0000000000000000, -0.0144019300000000 ] - [ 0.0042068400000000, 0.0000000000000000, 0.0011200900000000 ] - [ -0.0012242100000000, 0.0007040800000000, -0.0045547900000000 ] - [ -0.0012242100000000, -0.0007040800000000, -0.0045547900000000 ] - [ 0.2840981900000000, 0.0000000000000000, 0.0365920100000000 ] - [ 0.0182196400000000, 0.0000000000000000, 0.0025580700000000 ] - [ -0.0036423900000000, -0.0006351800000000, -0.0013423000000000 ] - [ -0.0036423900000000, 0.0006351800000000, -0.0013423000000000 ] - [ -0.0051478100000000, 0.0000276200000000, -0.0010420500000000 ] - [ -0.0051478100000000, -0.0000276200000000, -0.0010420500000000 ] - [ -0.0094315000000000, -0.0229280100000000, -0.0070459200000000 ] - [ -0.0094315000000000, 0.0229280100000000, -0.0070459200000000 ] - [ 0.0011545100000000, 0.0000000000000000, -0.0432357100000000 ] - [ 0.0011164000000000, 0.0000000000000000, -0.0060835500000000 ] - [ -0.0068756000000000, 0.0000000000000000, -0.0025067900000000 ] - [ -0.0052987600000000, 0.0000000000000000, -0.0017340300000000 ] - [ -0.0017764000000000, 0.0000000000000000, 0.0241105100000000 ] - [ 0.0011149200000000, 0.0000000000000000, 0.0070598000000000 ] - [ -0.0010881000000000, -0.0000208100000000, -0.0031620200000000 ] - [ -0.0010881000000000, 0.0000208100000000, -0.0031620200000000 ] - [ 0.0041226300000000, 0.0026869000000000, -0.0001867700000000 ] - [ 0.0041226300000000, -0.0026869000000000, -0.0001867700000000 ] - [ 0.0000339600000000, 0.0001277700000000, -0.0030706900000000 ] - [ 0.0000339600000000, -0.0001277700000000, -0.0030706900000000 ] - [ -0.0012351400000000, 0.0000000000000000, -0.0008673100000000 ] - [ -0.0006830700000000, 0.0000000000000000, 0.0000309700000000 ] - [ 0.0143009600000000, 0.0000000000000000, -0.0011580600000000 ] - [ 0.0081546400000000, 0.0000000000000000, 0.0001915400000000 ] - [ -0.0385676900000000, 0.0000000000000000, -0.0069586600000000 ] - [ -0.0072232300000000, 0.0000000000000000, 0.0007828100000000 ] - [ -0.0056470600000000, -0.0000675100000000, -0.0013479100000000 ] - [ -0.0056470600000000, 0.0000675100000000, -0.0013479100000000 ] - [ -0.0006526200000000, 0.0000000000000000, -0.0038859200000000 ] - [ -0.0001603100000000, 0.0000000000000000, -0.0017487000000000 ] - [ 0.0046712200000000, -0.0006942500000000, 0.0026737700000000 ] - [ 0.0046712200000000, 0.0006942500000000, 0.0026737700000000 ] - [ -0.0035049500000000, -0.0014342900000000, -0.0009638200000000 ] - [ -0.0035049500000000, 0.0014342900000000, -0.0009638200000000 ] - [ -0.0050366000000000, 0.0000000000000000, 0.0000403000000000 ] - [ -0.0046143500000000, 0.0000000000000000, 0.0001048200000000 ] - [ 0.0005192600000000, 0.0000000000000000, -0.0019076400000000 ] - [ 0.0019636600000000, 0.0000000000000000, -0.0016463500000000 ] - [ 0.0001357400000000, 0.0003844800000000, 0.0018707300000000 ] - [ 0.0001357400000000, -0.0003844800000000, 0.0018707300000000 ] - [ -0.0012521500000000, 0.0000000000000000, 0.0079131600000000 ] - [ -0.0002924100000000, 0.0000000000000000, 0.0036204200000000 ] - [ -0.0039482200000000, -0.0000157100000000, -0.0008313600000000 ] - [ -0.0039482200000000, 0.0000157100000000, -0.0008313600000000 ] - [ -0.0030535700000000, 0.0000000000000000, 0.0006526100000000 ] - [ -0.0007700700000000, 0.0000000000000000, 0.0004697700000000 ] - [ 0.0015485400000000, 0.0000000000000000, 0.0022911000000000 ] - [ 0.0020136500000000, 0.0000000000000000, 0.0009355100000000 ] - [ -0.0013812200000000, 0.0000000000000000, -0.0028722400000000 ] - [ -0.0012168900000000, 0.0000000000000000, -0.0025002400000000 ] - [ -0.0008649400000000, -0.0000855400000000, -0.0028540100000000 ] - [ -0.0008649400000000, 0.0000855400000000, -0.0028540100000000 ] - [ -0.0053600000000000, -0.0006081400000000, -0.0002510800000000 ] - [ -0.0053600000000000, 0.0006081400000000, -0.0002510800000000 ] - [ -0.0012169900000000, 0.0000046300000000, -0.0026537900000000 ] - [ -0.0012169900000000, -0.0000046300000000, -0.0026537900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022078500000000, 0.0077546500000000, -0.0012026000000000 ] - [ 0.0021998500000000, -0.0061778100000000, -0.0011960100000000 ] - [ -0.0035111600000000, 0.0001313500000000, -0.0000587200000000 ] - [ -0.0035122900000000, -0.0001104600000000, -0.0000474600000000 ] - [ 0.0002632900000000, 0.0001696400000000, -0.0002165000000000 ] - [ -0.0029372500000000, 0.0001247700000000, 0.0001430900000000 ] - [ 0.0021532600000000, -0.0000043300000000, -0.0011976500000000 ] - [ 0.0022318500000000, -0.0000043300000000, -0.0011683100000000 ] - [ -0.0035871900000000, 0.0000010300000000, -0.0001040500000000 ] - [ -0.0034424800000000, -0.0000020500000000, -0.0000117300000000 ] - [ -0.0013220900000000, 0.0000842200000000, -0.0000356300000000 ] - [ -0.0013620500000000, -0.0000703100000000, -0.0000364200000000 ] - [ -0.0005208400000000, 0.0003146400000000, -0.0018216400000000 ] - [ -0.0005111500000000, -0.0001421800000000, -0.0018326600000000 ] - [ -0.0032860300000000, 0.0004219600000000, -0.0008088700000000 ] - [ -0.0032815300000000, -0.0000584700000000, -0.0007904300000000 ] - [ -0.0038110600000000, 0.0000776800000000, -0.0046731200000000 ] - [ 0.0014234800000000, 0.0000328800000000, 0.0002426100000000 ] - [ -0.0033469000000000, 0.0183702200000000, 0.0020159100000000 ] - [ -0.0039021700000000, -0.0067106700000000, 0.0018684800000000 ] - [ 0.0035646800000000, -0.0000017700000000, -0.0000646300000000 ] - [ 0.0036455800000000, -0.0000059000000000, -0.0005089700000000 ] - [ -0.0010659500000000, 0.0074667500000000, 0.0027586500000000 ] - [ -0.0008997000000000, -0.0101529500000000, 0.0027062300000000 ] - [ -0.0011134200000000, 0.0000079800000000, -0.0018029600000000 ] - [ 0.0000661600000000, 0.0000052100000000, -0.0018608200000000 ] - [ -0.0032632500000000, 0.0000059100000000, -0.0014032800000000 ] - [ -0.0033098400000000, 0.0000025500000000, -0.0001981000000000 ] - [ -0.0011885900000000, 0.0000541700000000, -0.0022020100000000 ] - [ -0.0011836200000000, -0.0000338500000000, -0.0022020000000000 ] - [ -0.0039146200000000, 0.0000033000000000, 0.0018444200000000 ] - [ -0.0039093600000000, 0.0000025800000000, 0.0018874800000000 ] - [ 0.0036039200000000, 0.0000971000000000, -0.0002763400000000 ] - [ 0.0036000500000000, -0.0001226900000000, -0.0002933000000000 ] - [ -0.0007117200000000, -0.0000047900000000, 0.0026839200000000 ] - [ -0.0010714500000000, -0.0000062000000000, 0.0027111700000000 ] - [ -0.0001178900000000, 0.0000127600000000, 0.0003683900000000 ] - [ -0.0001179700000000, 0.0000145500000000, 0.0003771100000000 ] - [ 0.0049727900000000, -0.0002019800000000, 0.0014533700000000 ] - [ 0.0049757400000000, 0.0002076900000000, 0.0014535000000000 ] - [ 0.0006218800000000, 0.0004613900000000, 0.0008111300000000 ] - [ 0.0006236700000000, 0.0007205900000000, 0.0008676000000000 ] - [ 0.0005879100000000, -0.0001044800000000, 0.0010834400000000 ] - [ 0.0006552600000000, -0.0000930200000000, 0.0007328400000000 ] - [ 0.0021951000000000, -0.0000013500000000, 0.0002066500000000 ] - [ 0.0019430000000000, -0.0000014800000000, 0.0000523000000000 ] - [ -0.0004548700000000, 0.0000101700000000, 0.0001037400000000 ] - [ 0.0007180600000000, 0.0000147200000000, -0.0001354100000000 ] - [ -0.0006458900000000, -0.0038316900000000, 0.0000340700000000 ] - [ -0.0006897700000000, 0.0003766800000000, 0.0000514000000000 ] - [ 0.0001999400000000, -0.0000531300000000, 0.0010555600000000 ] - [ -0.0003373700000000, -0.0000492200000000, -0.0011894900000000 ] - [ 0.0032496300000000, -0.0000846900000000, -0.0001494100000000 ] - [ 0.0032496800000000, 0.0000846800000000, -0.0001496500000000 ] - [ -0.0003204900000000, 0.0000438500000000, 0.0001204900000000 ] - [ -0.0003778400000000, 0.0008631700000000, 0.0001311400000000 ] - [ -0.0014403600000000, 0.0059643200000000, 0.0066500100000000 ] - [ -0.0046564400000000, 0.0059162400000000, -0.0054139200000000 ] - [ -0.0029484200000000, 0.0022514300000000, -0.0025345000000000 ] - [ 0.0107603700000000, 0.0022578900000000, -0.0002593900000000 ] - [ 0.0014803900000000, -0.0026274100000000, 0.0022221900000000 ] - [ 0.0015240500000000, 0.0013808000000000, 0.0022644700000000 ] - [ 0.0000912000000000, -0.0000168600000000, 0.0002248200000000 ] - [ 0.0003233200000000, -0.0000136400000000, 0.0008995900000000 ] - [ 0.0009958200000000, -0.0445302200000000, 0.0001218900000000 ] - [ 0.0014718600000000, 0.0018171400000000, 0.0003280300000000 ] - [ 0.0013256700000000, 0.0000416500000000, 0.0003071000000000 ] - [ -0.0008172200000000, 0.0000460800000000, -0.0001534200000000 ] - [ -0.0004964800000000, 0.0000045500000000, -0.0001508200000000 ] - [ -0.0004819500000000, 0.0000045400000000, -0.0001132500000000 ] - [ 0.0086919500000000, 0.0089329300000000, -0.0020233700000000 ] - [ -0.0083592800000000, 0.0088347300000000, -0.0026575900000000 ] - [ -0.0002985700000000, -0.0022386800000000, -0.0011860000000000 ] - [ -0.0003030900000000, 0.0005127900000000, -0.0012209400000000 ] - [ -0.0050311800000000, -0.0000888300000000, -0.0007247600000000 ] - [ -0.0050346400000000, 0.0001093500000000, -0.0007258300000000 ] - [ -0.0001961000000000, -0.0013417100000000, 0.0002048400000000 ] - [ -0.0001971500000000, 0.0003156600000000, 0.0001728100000000 ] - [ -0.0000591500000000, -0.0000042800000000, 0.0004811000000000 ] - [ -0.0001746500000000, -0.0000041000000000, 0.0002717600000000 ] - [ 0.0049531600000000, -0.0001425100000000, 0.0014561100000000 ] - [ 0.0049952200000000, -0.0001350000000000, 0.0014489600000000 ] - [ 0.0006352800000000, -0.0000007700000000, 0.0008170400000000 ] - [ 0.0006138200000000, -0.0000009900000000, 0.0008712100000000 ] - [ 0.0006219000000000, -0.0002420800000000, 0.0009070800000000 ] - [ 0.0006237500000000, 0.0002381600000000, 0.0009086400000000 ] - [ 0.0020602900000000, -0.0002200200000000, 0.0001315600000000 ] - [ 0.0020688100000000, 0.0000527100000000, 0.0001275100000000 ] - [ 0.0000672700000000, 0.0016272500000000, -0.0000270000000000 ] - [ 0.0001654600000000, 0.0013515100000000, -0.0000171900000000 ] - [ -0.0005783800000000, 0.0000045000000000, 0.0000334900000000 ] - [ -0.0007702300000000, 0.0000050300000000, 0.0000727200000000 ] - [ -0.0000699900000000, -0.0000065100000000, -0.0000724600000000 ] - [ -0.0000711500000000, -0.0000103900000000, -0.0000733400000000 ] - [ 0.0032882000000000, -0.0000176600000000, -0.0001752700000000 ] - [ 0.0032044000000000, -0.0000414400000000, -0.0001270300000000 ] - [ -0.0003404200000000, 0.0000350700000000, 0.0000941600000000 ] - [ -0.0004020000000000, 0.0000370400000000, 0.0001704300000000 ] - [ -0.0030595500000000, -0.0000330700000000, 0.0005708100000000 ] - [ -0.0030612100000000, 0.0000309500000000, 0.0005705300000000 ] - [ 0.0039450400000000, -0.0000508500000000, -0.0013936100000000 ] - [ 0.0039462000000000, 0.0000669800000000, -0.0013926900000000 ] - [ 0.0015178600000000, -0.0000062600000000, 0.0022765400000000 ] - [ 0.0015215600000000, -0.0000044200000000, 0.0022439400000000 ] - [ 0.0002059800000000, 0.0000710000000000, 0.0005554600000000 ] - [ 0.0002081600000000, 0.0000059600000000, 0.0005684700000000 ] - [ 0.0014716900000000, 0.0000034700000000, 0.0003499400000000 ] - [ 0.0015025100000000, 0.0000039100000000, 0.0003075100000000 ] - [ 0.0002533800000000, -0.0001109300000000, 0.0000750500000000 ] - [ 0.0002470500000000, 0.0000041100000000, 0.0000756900000000 ] - [ -0.0004821700000000, 0.0000068400000000, -0.0001305000000000 ] - [ -0.0004933700000000, -0.0000092600000000, -0.0001320300000000 ] - [ 0.0000914300000000, -0.0001018000000000, -0.0023476800000000 ] - [ 0.0000909800000000, 0.0001182200000000, -0.0023488000000000 ] - [ -0.0003129800000000, 0.0000006600000000, -0.0011014500000000 ] - [ -0.0002906100000000, 0.0000014900000000, -0.0013236400000000 ] - [ -0.0051075300000000, 0.0000080400000000, -0.0006932400000000 ] - [ -0.0049566100000000, 0.0000232700000000, -0.0007567300000000 ] - [ -0.0002017900000000, 0.0000023300000000, 0.0001432400000000 ] - [ -0.0001962100000000, 0.0000021000000000, 0.0002251800000000 ]- atom: 65 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0117436000000000, 0.0000000000000000, -0.0181863500000000 ] - [ 0.0014462300000000, 0.0000000000000000, -0.0022693000000000 ] - [ -0.0032901600000000, 0.0000000000000000, -0.0118631500000000 ] - [ -0.0037523800000000, 0.0000000000000000, -0.0044881000000000 ] - [ 0.0015098500000000, -0.0009837900000000, 0.0011256800000000 ] - [ 0.0015098500000000, 0.0009837900000000, 0.0011256800000000 ] - [ 0.0034734800000000, -0.0000676600000000, -0.0002287400000000 ] - [ 0.0034734800000000, 0.0000676600000000, -0.0002287400000000 ] - [ -0.0026824300000000, 0.0000014800000000, 0.0010262100000000 ] - [ -0.0026824300000000, -0.0000014800000000, 0.0010262100000000 ] - [ 0.0107894000000000, 0.0000000000000000, -0.0032784400000000 ] - [ 0.0026849200000000, 0.0000000000000000, -0.0013559700000000 ] - [ 0.0090638400000000, 0.0000000000000000, -0.0040100800000000 ] - [ 0.0010346800000000, 0.0000000000000000, -0.0040748400000000 ] - [ -0.0062813500000000, 0.0000000000000000, 0.0017741200000000 ] - [ -0.0049191300000000, 0.0000000000000000, 0.0003554000000000 ] - [ -0.0068291300000000, -0.0009238400000000, 0.0042080300000000 ] - [ -0.0068291300000000, 0.0009238400000000, 0.0042080300000000 ] - [ -0.0614447400000000, 0.0000000000000000, 0.0103792700000000 ] - [ -0.0098172600000000, 0.0000000000000000, 0.0038571700000000 ] - [ 0.0042466200000000, -0.0000457200000000, 0.0014741200000000 ] - [ 0.0042466200000000, 0.0000457200000000, 0.0014741200000000 ] - [ 0.0010248000000000, 0.0000000000000000, 0.0281806900000000 ] - [ -0.0031125300000000, 0.0000000000000000, 0.0008485500000000 ] - [ 0.0005198700000000, 0.0004526600000000, -0.0000906100000000 ] - [ 0.0005198700000000, -0.0004526600000000, -0.0000906100000000 ] - [ -0.0033671000000000, -0.0000824600000000, -0.0014871300000000 ] - [ -0.0033671000000000, 0.0000824600000000, -0.0014871300000000 ] - [ 0.0011709600000000, 0.0000000000000000, -0.0025027900000000 ] - [ 0.0002834300000000, 0.0000000000000000, -0.0023955400000000 ] - [ -0.0013131600000000, 0.0004833300000000, 0.0021324300000000 ] - [ -0.0013131600000000, -0.0004833300000000, 0.0021324300000000 ] - [ 0.0043911500000000, 0.0000000000000000, -0.0128427400000000 ] - [ 0.0042379300000000, 0.0000000000000000, -0.0054162400000000 ] - [ 0.0013389100000000, -0.0000502200000000, 0.0031622500000000 ] - [ 0.0013389100000000, 0.0000502200000000, 0.0031622500000000 ] - [ -0.0007660900000000, 0.0000000000000000, 0.0048290500000000 ] - [ -0.0001775200000000, 0.0000000000000000, 0.0030141200000000 ] - [ 0.0051120000000000, 0.0000000000000000, 0.0019531100000000 ] - [ 0.0050290500000000, 0.0000000000000000, 0.0016791700000000 ] - [ 0.0020051300000000, 0.0000000000000000, 0.0203468300000000 ] - [ 0.0005341800000000, 0.0000000000000000, 0.0049771400000000 ] - [ -0.0002021100000000, 0.0015832400000000, 0.0008994200000000 ] - [ -0.0002021100000000, -0.0015832400000000, 0.0008994200000000 ] - [ 0.0016971600000000, 0.0000011300000000, 0.0001194600000000 ] - [ 0.0016971600000000, -0.0000011300000000, 0.0001194600000000 ] - [ -0.0019760000000000, 0.0000288100000000, -0.0001130800000000 ] - [ -0.0019760000000000, -0.0000288100000000, -0.0001130800000000 ] - [ -0.0229883100000000, 0.0000000000000000, 0.0147321900000000 ] - [ -0.0008819900000000, 0.0000000000000000, 0.0006053600000000 ] - [ 0.0006971900000000, 0.0000498500000000, -0.0010244600000000 ] - [ 0.0006971900000000, -0.0000498500000000, -0.0010244600000000 ] - [ 0.0030918700000000, 0.0000000000000000, -0.0003940300000000 ] - [ 0.0030913400000000, 0.0000000000000000, -0.0003924900000000 ] - [ -0.0030608700000000, 0.0000000000000000, 0.0020950600000000 ] - [ -0.0006408000000000, 0.0000000000000000, 0.0001455600000000 ] - [ 0.0018873300000000, 0.0080665400000000, 0.0042877800000000 ] - [ 0.0018873300000000, -0.0080665400000000, 0.0042877800000000 ] - [ 0.0023542300000000, 0.0083114900000000, -0.0025476300000000 ] - [ 0.0023542300000000, -0.0083114900000000, -0.0025476300000000 ] - [ 0.0080026800000000, 0.0000000000000000, 0.0008264800000000 ] - [ 0.0032963800000000, 0.0000000000000000, 0.0002184000000000 ] - [ -0.0001369700000000, 0.0000955000000000, -0.0012779100000000 ] - [ -0.0001369700000000, -0.0000955000000000, -0.0012779100000000 ] - [ 0.1110080100000000, 0.0000000000000000, -0.0433259300000000 ] - [ 0.0079285900000000, 0.0000000000000000, -0.0008862300000000 ] - [ 0.0013595400000000, -0.0000624800000000, -0.0011023200000000 ] - [ 0.0013595400000000, 0.0000624800000000, -0.0011023200000000 ] - [ -0.0013293200000000, -0.0000010400000000, -0.0003752500000000 ] - [ -0.0013293200000000, 0.0000010400000000, -0.0003752500000000 ] - [ -0.0051612400000000, -0.0134101400000000, -0.0079997400000000 ] - [ -0.0051612400000000, 0.0134101400000000, -0.0079997400000000 ] - [ 0.0097711200000000, 0.0000000000000000, -0.0099636200000000 ] - [ 0.0004017300000000, 0.0000000000000000, -0.0039563200000000 ] - [ -0.0049652800000000, 0.0000000000000000, -0.0010096000000000 ] - [ -0.0049410400000000, 0.0000000000000000, -0.0009907800000000 ] - [ -0.0068827200000000, 0.0000000000000000, 0.0144947300000000 ] - [ -0.0000005700000000, 0.0000000000000000, 0.0030918700000000 ] - [ -0.0002957200000000, -0.0000135900000000, -0.0007188200000000 ] - [ -0.0002957200000000, 0.0000135900000000, -0.0007188200000000 ] - [ 0.0050980900000000, 0.0000071300000000, 0.0012467600000000 ] - [ 0.0050980900000000, -0.0000071300000000, 0.0012467600000000 ] - [ 0.0005017600000000, 0.0000135000000000, -0.0000126800000000 ] - [ 0.0005017600000000, -0.0000135000000000, -0.0000126800000000 ] - [ 0.0000020100000000, 0.0000000000000000, -0.0002109700000000 ] - [ 0.0003817700000000, 0.0000000000000000, 0.0003547200000000 ] - [ 0.0060010700000000, 0.0000000000000000, 0.0012696500000000 ] - [ 0.0038996100000000, 0.0000000000000000, 0.0003311300000000 ] - [ -0.0296111700000000, 0.0000000000000000, -0.0046546100000000 ] - [ -0.0048094200000000, 0.0000000000000000, 0.0001954800000000 ] - [ -0.0019910700000000, -0.0000466900000000, -0.0004708500000000 ] - [ -0.0019910700000000, 0.0000466900000000, -0.0004708500000000 ] - [ -0.0001257700000000, 0.0000000000000000, 0.0003711200000000 ] - [ -0.0001136100000000, 0.0000000000000000, 0.0001740800000000 ] - [ 0.0032331900000000, -0.0007549800000000, 0.0016062400000000 ] - [ 0.0032331900000000, 0.0007549800000000, 0.0016062400000000 ] - [ -0.0019050500000000, -0.0010384600000000, -0.0005073500000000 ] - [ -0.0019050500000000, 0.0010384600000000, -0.0005073500000000 ] - [ -0.0038275600000000, 0.0000000000000000, 0.0004271900000000 ] - [ -0.0036176200000000, 0.0000000000000000, 0.0004518000000000 ] - [ 0.0019255400000000, 0.0000000000000000, -0.0016137400000000 ] - [ 0.0030659100000000, 0.0000000000000000, -0.0014266400000000 ] - [ 0.0010286000000000, 0.0001307500000000, 0.0021338200000000 ] - [ 0.0010286000000000, -0.0001307500000000, 0.0021338200000000 ] - [ -0.0004618100000000, 0.0000000000000000, 0.0086147300000000 ] - [ -0.0001180000000000, 0.0000000000000000, 0.0037365200000000 ] - [ -0.0002281200000000, -0.0000260700000000, -0.0000481000000000 ] - [ -0.0002281200000000, 0.0000260700000000, -0.0000481000000000 ] - [ -0.0033868800000000, 0.0000000000000000, -0.0001373100000000 ] - [ -0.0012189900000000, 0.0000000000000000, 0.0001869800000000 ] - [ -0.0032397200000000, 0.0000000000000000, 0.0019764900000000 ] - [ -0.0014743600000000, 0.0000000000000000, 0.0006631900000000 ] - [ -0.0003204700000000, 0.0000000000000000, -0.0025122300000000 ] - [ -0.0002860700000000, 0.0000000000000000, -0.0024279300000000 ] - [ -0.0004739700000000, -0.0000343400000000, -0.0005558600000000 ] - [ -0.0004739700000000, 0.0000343400000000, -0.0005558600000000 ] - [ -0.0048215600000000, 0.0004357400000000, 0.0003086000000000 ] - [ -0.0048215600000000, -0.0004357400000000, 0.0003086000000000 ] - [ -0.0004316300000000, 0.0000000400000000, -0.0004559400000000 ] - [ -0.0004316300000000, -0.0000000400000000, -0.0004559400000000 ]- atom: 65 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0160208600000000, 0.0000000000000000, 0.0166351600000000 ] - [ 0.0029901400000000, 0.0000000000000000, -0.0000517900000000 ] - [ -0.0036587300000000, 0.0000000000000000, 0.0118969300000000 ] - [ -0.0032232900000000, 0.0000000000000000, 0.0044161000000000 ] - [ -0.0042837400000000, 0.0010626300000000, -0.0012044000000000 ] - [ -0.0042837400000000, -0.0010626300000000, -0.0012044000000000 ] - [ 0.0008892600000000, 0.0000668700000000, -0.0021624300000000 ] - [ 0.0008892600000000, -0.0000668700000000, -0.0021624300000000 ] - [ -0.0043700700000000, -0.0000001400000000, -0.0011664900000000 ] - [ -0.0043700700000000, 0.0000001400000000, -0.0011664900000000 ] - [ -0.0136047200000000, 0.0000000000000000, 0.0032150700000000 ] - [ -0.0054000100000000, 0.0000000000000000, 0.0012841700000000 ] - [ -0.0100087700000000, 0.0000000000000000, 0.0004552100000000 ] - [ -0.0020646000000000, 0.0000000000000000, 0.0004513100000000 ] - [ -0.0002649500000000, 0.0000000000000000, -0.0034828800000000 ] - [ -0.0016335400000000, 0.0000000000000000, -0.0020003100000000 ] - [ 0.0044677200000000, 0.0009524000000000, -0.0086528800000000 ] - [ 0.0044677200000000, -0.0009524000000000, -0.0086528800000000 ] - [ 0.0531896200000000, 0.0000000000000000, -0.0069838100000000 ] - [ 0.0020505800000000, 0.0000000000000000, -0.0000981600000000 ] - [ 0.0029382300000000, 0.0000492500000000, -0.0020924500000000 ] - [ 0.0029382300000000, -0.0000492500000000, -0.0020924500000000 ] - [ -0.0014240700000000, 0.0000000000000000, -0.0231985600000000 ] - [ 0.0014140500000000, 0.0000000000000000, 0.0045750800000000 ] - [ -0.0015853000000000, -0.0004592600000000, -0.0036079000000000 ] - [ -0.0015853000000000, 0.0004592600000000, -0.0036079000000000 ] - [ -0.0032507300000000, 0.0000768700000000, -0.0001134100000000 ] - [ -0.0032507300000000, -0.0000768700000000, -0.0001134100000000 ] - [ -0.0035575300000000, 0.0000000000000000, -0.0019087100000000 ] - [ -0.0026669400000000, 0.0000000000000000, -0.0020166100000000 ] - [ -0.0065567200000000, -0.0004940300000000, 0.0015860200000000 ] - [ -0.0065567200000000, 0.0004940300000000, 0.0015860200000000 ] - [ 0.0027911100000000, 0.0000000000000000, 0.0122677900000000 ] - [ 0.0029727200000000, 0.0000000000000000, 0.0048726100000000 ] - [ -0.0031754600000000, 0.0000511600000000, 0.0022310800000000 ] - [ -0.0031754600000000, -0.0000511600000000, 0.0022310800000000 ] - [ 0.0005205600000000, 0.0000000000000000, -0.0041254200000000 ] - [ -0.0000597400000000, 0.0000000000000000, -0.0022848600000000 ] - [ 0.0048544600000000, 0.0000000000000000, 0.0009532100000000 ] - [ 0.0049304500000000, 0.0000000000000000, 0.0012263100000000 ] - [ -0.0007489000000000, 0.0000000000000000, -0.0184312600000000 ] - [ 0.0007130600000000, 0.0000000000000000, -0.0032968000000000 ] - [ 0.0014464900000000, -0.0015782400000000, 0.0008960600000000 ] - [ 0.0014464900000000, 0.0015782400000000, 0.0008960600000000 ] - [ 0.0024670700000000, -0.0000009600000000, 0.0001383500000000 ] - [ 0.0024670700000000, 0.0000009600000000, 0.0001383500000000 ] - [ 0.0023087200000000, -0.0000363900000000, 0.0000769800000000 ] - [ 0.0023087200000000, 0.0000363900000000, 0.0000769800000000 ] - [ 0.0211723700000000, 0.0000000000000000, -0.0144520000000000 ] - [ -0.0005106800000000, 0.0000000000000000, -0.0005443100000000 ] - [ -0.0008383200000000, -0.0000511400000000, 0.0008939400000000 ] - [ -0.0008383200000000, 0.0000511400000000, 0.0008939400000000 ] - [ 0.0034190500000000, 0.0000000000000000, 0.0000998600000000 ] - [ 0.0034194500000000, 0.0000000000000000, 0.0000978900000000 ] - [ 0.0026124600000000, 0.0000000000000000, -0.0019030400000000 ] - [ -0.0000919100000000, 0.0000000000000000, 0.0000990300000000 ] - [ -0.0079936000000000, -0.0080034600000000, -0.0031409600000000 ] - [ -0.0079936000000000, 0.0080034600000000, -0.0031409600000000 ] - [ 0.0056223100000000, -0.0084886600000000, -0.0002552600000000 ] - [ 0.0056223100000000, 0.0084886600000000, -0.0002552600000000 ] - [ -0.0050192300000000, 0.0000000000000000, 0.0036290200000000 ] - [ -0.0002569600000000, 0.0000000000000000, 0.0043100400000000 ] - [ 0.0005629900000000, -0.0001000700000000, 0.0024339300000000 ] - [ 0.0005629900000000, 0.0001000700000000, 0.0024339300000000 ] - [ -0.1094124000000000, 0.0000000000000000, 0.0437348700000000 ] - [ -0.0050547600000000, 0.0000000000000000, 0.0015136900000000 ] - [ -0.0008518600000000, 0.0000629400000000, 0.0012637600000000 ] - [ -0.0008518600000000, -0.0000629400000000, 0.0012637600000000 ] - [ 0.0003695700000000, 0.0000009500000000, 0.0001192400000000 ] - [ 0.0003695700000000, -0.0000009500000000, 0.0001192400000000 ] - [ 0.0053412800000000, 0.0135567100000000, 0.0033852100000000 ] - [ 0.0053412800000000, -0.0135567100000000, 0.0033852100000000 ] - [ -0.0103506700000000, 0.0000000000000000, 0.0076127000000000 ] - [ -0.0010128600000000, 0.0000000000000000, 0.0015810100000000 ] - [ -0.0050953100000000, 0.0000000000000000, -0.0004293100000000 ] - [ -0.0051236800000000, 0.0000000000000000, -0.0004510200000000 ] - [ 0.0066195900000000, 0.0000000000000000, -0.0144660600000000 ] - [ -0.0004102900000000, 0.0000000000000000, -0.0027608700000000 ] - [ 0.0000688000000000, 0.0000137000000000, 0.0015009000000000 ] - [ 0.0000688000000000, -0.0000137000000000, 0.0015009000000000 ] - [ 0.0048552100000000, -0.0000150600000000, 0.0016700000000000 ] - [ 0.0048552100000000, 0.0000150600000000, 0.0016700000000000 ] - [ 0.0007504500000000, -0.0000132700000000, 0.0017351300000000 ] - [ 0.0007504500000000, 0.0000132700000000, 0.0017351300000000 ] - [ 0.0012538100000000, 0.0000000000000000, 0.0020548200000000 ] - [ 0.0008697900000000, 0.0000000000000000, 0.0014740300000000 ] - [ -0.0019626900000000, 0.0000000000000000, -0.0010162800000000 ] - [ 0.0001989600000000, 0.0000000000000000, -0.0000720400000000 ] - [ 0.0302840900000000, 0.0000000000000000, 0.0046634500000000 ] - [ 0.0051033700000000, 0.0000000000000000, -0.0002315900000000 ] - [ 0.0006656400000000, 0.0000474900000000, 0.0005833800000000 ] - [ 0.0006656400000000, -0.0000474900000000, 0.0005833800000000 ] - [ -0.0000139800000000, 0.0000000000000000, -0.0004889900000000 ] - [ -0.0000289600000000, 0.0000000000000000, -0.0003017600000000 ] - [ 0.0032592200000000, 0.0008071800000000, -0.0019236900000000 ] - [ 0.0032592200000000, -0.0008071800000000, -0.0019236900000000 ] - [ 0.0011826300000000, 0.0010692500000000, 0.0007836600000000 ] - [ 0.0011826300000000, -0.0010692500000000, 0.0007836600000000 ] - [ -0.0022836200000000, 0.0000000000000000, 0.0007126900000000 ] - [ -0.0024940900000000, 0.0000000000000000, 0.0006885000000000 ] - [ 0.0060081700000000, 0.0000000000000000, -0.0011671400000000 ] - [ 0.0048386300000000, 0.0000000000000000, -0.0013580400000000 ] - [ 0.0020244000000000, -0.0001312300000000, 0.0023851400000000 ] - [ 0.0020244000000000, 0.0001312300000000, 0.0023851400000000 ] - [ 0.0008941000000000, 0.0000000000000000, -0.0075452200000000 ] - [ 0.0005355000000000, 0.0000000000000000, -0.0026137000000000 ] - [ 0.0032369300000000, 0.0000264900000000, 0.0007072700000000 ] - [ 0.0032369300000000, -0.0000264900000000, 0.0007072700000000 ] - [ 0.0038689100000000, 0.0000000000000000, 0.0002745400000000 ] - [ 0.0017170600000000, 0.0000000000000000, -0.0000377300000000 ] - [ 0.0022512900000000, 0.0000000000000000, -0.0022514900000000 ] - [ 0.0004657600000000, 0.0000000000000000, -0.0009317200000000 ] - [ 0.0005107400000000, 0.0000000000000000, -0.0021864600000000 ] - [ 0.0004754300000000, 0.0000000000000000, -0.0022724400000000 ] - [ -0.0001260300000000, 0.0000351200000000, -0.0018668600000000 ] - [ -0.0001260300000000, -0.0000351200000000, -0.0018668600000000 ] - [ -0.0052288200000000, -0.0004168600000000, -0.0017597900000000 ] - [ -0.0052288200000000, 0.0004168600000000, -0.0017597900000000 ] - [ 0.0000396200000000, -0.0000000100000000, 0.0008391300000000 ] - [ 0.0000396200000000, 0.0000000100000000, 0.0008391300000000 ]- atom: 67 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0086227900000000, -0.0128326000000000, 0.0000548500000000 ] - [ -0.0086227900000000, 0.0128326000000000, 0.0000548500000000 ] - [ -0.0060702600000000, -0.0000761200000000, -0.0019604100000000 ] - [ -0.0060702600000000, 0.0000761200000000, -0.0019604100000000 ] - [ -0.0056654500000000, 0.0000000000000000, -0.0037993200000000 ] - [ -0.0054735200000000, 0.0000000000000000, -0.0031453800000000 ] - [ -0.0125924100000000, 0.0000000000000000, -0.0075521200000000 ] - [ -0.0034739900000000, 0.0000000000000000, -0.0033710800000000 ] - [ 0.0053596100000000, 0.0000000000000000, -0.0213296900000000 ] - [ 0.0004360700000000, 0.0000000000000000, -0.0051944800000000 ] - [ 0.0070406700000000, 0.0035116200000000, 0.0143387300000000 ] - [ 0.0070406700000000, -0.0035116200000000, 0.0143387300000000 ] - [ -0.0092315400000000, -0.0000308900000000, -0.0027325500000000 ] - [ -0.0092315400000000, 0.0000308900000000, -0.0027325500000000 ] - [ -0.0080254100000000, 0.0002388800000000, -0.0054447000000000 ] - [ -0.0080254100000000, -0.0002388800000000, -0.0054447000000000 ] - [ 0.1605439500000000, 0.0000000000000000, -0.0169641600000000 ] - [ 0.0205281700000000, 0.0000000000000000, 0.0015360900000000 ] - [ -0.0100392500000000, -0.0003739200000000, -0.0045412600000000 ] - [ -0.0100392500000000, 0.0003739200000000, -0.0045412600000000 ] - [ -0.0031967700000000, 0.0000000000000000, -0.0080108200000000 ] - [ -0.0004675400000000, 0.0000000000000000, -0.0054230100000000 ] - [ 0.0054002000000000, -0.0056234900000000, -0.0052571500000000 ] - [ 0.0054002000000000, 0.0056234900000000, -0.0052571500000000 ] - [ 0.0301341700000000, 0.0000000000000000, 0.0154705000000000 ] - [ 0.0087853700000000, 0.0000000000000000, -0.0069531400000000 ] - [ 0.0072482300000000, 0.0000000000000000, 0.0367087600000000 ] - [ 0.0044690400000000, 0.0000000000000000, 0.0103066400000000 ] - [ -0.0081622500000000, 0.0005435300000000, -0.0036760000000000 ] - [ -0.0081622500000000, -0.0005435300000000, -0.0036760000000000 ] - [ -0.0065023200000000, 0.0000000000000000, 0.0197680600000000 ] - [ -0.0051152900000000, 0.0000000000000000, 0.0118591700000000 ] - [ 0.0033123300000000, -0.0016552700000000, 0.0124649700000000 ] - [ 0.0033123300000000, 0.0016552700000000, 0.0124649700000000 ] - [ -0.0051785000000000, 0.0000000000000000, 0.0017587600000000 ] - [ -0.0042077500000000, 0.0000000000000000, 0.0017184200000000 ] - [ 0.0007257500000000, 0.0000181900000000, 0.0012703000000000 ] - [ 0.0007257500000000, -0.0000181900000000, 0.0012703000000000 ] - [ 0.0042845300000000, 0.0032105100000000, -0.0023024900000000 ] - [ 0.0042845300000000, -0.0032105100000000, -0.0023024900000000 ] - [ 0.0018107800000000, 0.0013836900000000, -0.0080364100000000 ] - [ 0.0018107800000000, -0.0013836900000000, -0.0080364100000000 ] - [ 0.0023356100000000, 0.0000000000000000, 0.0019786200000000 ] - [ 0.0022780800000000, 0.0000000000000000, 0.0018537000000000 ] - [ -0.0136754800000000, 0.0000000000000000, -0.0012920200000000 ] - [ -0.0049106900000000, 0.0000000000000000, -0.0001051800000000 ] - [ 0.0040225700000000, 0.0000000000000000, 0.0003327500000000 ] - [ 0.0038433900000000, 0.0000000000000000, 0.0002767500000000 ] - [ 0.0076412600000000, 0.0009067600000000, 0.0026295900000000 ] - [ 0.0076412600000000, -0.0009067600000000, 0.0026295900000000 ] - [ 0.0047717400000000, 0.0000000000000000, -0.0570136300000000 ] - [ -0.0018129300000000, 0.0000000000000000, -0.0068496700000000 ] - [ 0.0019825700000000, -0.0021038100000000, 0.0024250900000000 ] - [ 0.0019825700000000, 0.0021038100000000, 0.0024250900000000 ] - [ 0.0020734900000000, -0.0000858900000000, 0.0012151100000000 ] - [ 0.0020734900000000, 0.0000858900000000, 0.0012151100000000 ] - [ 0.0348267900000000, 0.0000000000000000, 0.0032954900000000 ] - [ -0.0035536200000000, 0.0000000000000000, 0.0006044300000000 ] - [ 0.0061718700000000, 0.0000000000000000, -0.0004004800000000 ] - [ 0.0059422300000000, 0.0000000000000000, -0.0005495300000000 ] - [ 0.0073217000000000, 0.0275138300000000, 0.0074776900000000 ] - [ 0.0073217000000000, -0.0275138300000000, 0.0074776900000000 ] - [ 0.0011982900000000, 0.0000000000000000, 0.0054518100000000 ] - [ 0.0009586600000000, 0.0000000000000000, 0.0043102400000000 ] - [ 0.0054004500000000, 0.0010751600000000, 0.0038639400000000 ] - [ 0.0054004500000000, -0.0010751600000000, 0.0038639400000000 ] - [ -0.3177971800000000, 0.0000000000000000, 0.0205949200000000 ] - [ -0.0250477200000000, 0.0000000000000000, 0.0010670500000000 ] - [ 0.0038944400000000, 0.0000000000000000, 0.0019963000000000 ] - [ 0.0016544100000000, 0.0000000000000000, 0.0005877100000000 ] - [ 0.0040148000000000, 0.0000000000000000, 0.0115402100000000 ] - [ -0.0011132800000000, 0.0000000000000000, -0.0000152400000000 ] - [ 0.0003182000000000, -0.0000184500000000, 0.0034612300000000 ] - [ 0.0003182000000000, 0.0000184500000000, 0.0034612300000000 ] - [ -0.0029937800000000, -0.0007796300000000, 0.0002717000000000 ] - [ -0.0029937800000000, 0.0007796300000000, 0.0002717000000000 ] - [ -0.0001058600000000, 0.0002413300000000, 0.0029598800000000 ] - [ -0.0001058600000000, -0.0002413300000000, 0.0029598800000000 ] - [ 0.0094333500000000, 0.0000000000000000, 0.0379417600000000 ] - [ -0.0008717500000000, 0.0000000000000000, 0.0052705700000000 ] - [ 0.0070641700000000, 0.0000000000000000, 0.0024070300000000 ] - [ 0.0066497300000000, 0.0000000000000000, 0.0022852200000000 ] - [ 0.0019518300000000, 0.0000000000000000, 0.0075523800000000 ] - [ 0.0013201700000000, 0.0000000000000000, 0.0043150100000000 ] - [ 0.0109728000000000, -0.0356482400000000, -0.0090298700000000 ] - [ 0.0109728000000000, 0.0356482400000000, -0.0090298700000000 ] - [ 0.0052441500000000, -0.0000046700000000, 0.0005221900000000 ] - [ 0.0052441500000000, 0.0000046700000000, 0.0005221900000000 ] - [ -0.0112650100000000, 0.0001108800000000, -0.0004809700000000 ] - [ -0.0112650100000000, -0.0001108800000000, -0.0004809700000000 ] - [ 0.0379195000000000, 0.0000000000000000, -0.0131467300000000 ] - [ 0.0069920300000000, 0.0000000000000000, -0.0020656100000000 ] - [ 0.0008864400000000, -0.0000752100000000, 0.0024578600000000 ] - [ 0.0008864400000000, 0.0000752100000000, 0.0024578600000000 ] - [ 0.0037872900000000, 0.0000000000000000, 0.0003161800000000 ] - [ 0.0037802800000000, 0.0000000000000000, 0.0003002900000000 ] - [ 0.0033849600000000, 0.0000000000000000, -0.0115408600000000 ] - [ -0.0014474000000000, 0.0000000000000000, -0.0040412700000000 ] - [ 0.0005849700000000, -0.0018187800000000, 0.0006155100000000 ] - [ 0.0005849700000000, 0.0018187800000000, 0.0006155100000000 ] - [ 0.0040899900000000, -0.0015092500000000, -0.0043157000000000 ] - [ 0.0040899900000000, 0.0015092500000000, -0.0043157000000000 ] - [ 0.0042696700000000, 0.0000000000000000, 0.0023308800000000 ] - [ 0.0033091100000000, 0.0000000000000000, 0.0023875400000000 ] - [ -0.0003295900000000, -0.0001245700000000, -0.0090387100000000 ] - [ -0.0003295900000000, 0.0001245700000000, -0.0090387100000000 ] - [ 0.0048141200000000, 0.0000000000000000, -0.0019515700000000 ] - [ 0.0025159900000000, 0.0000000000000000, -0.0007771200000000 ] - [ 0.0061473400000000, -0.0000413500000000, 0.0001777900000000 ] - [ 0.0061473400000000, 0.0000413500000000, 0.0001777900000000 ] - [ 0.0005901300000000, 0.0000494200000000, -0.0009503700000000 ] - [ 0.0005901300000000, -0.0000494200000000, -0.0009503700000000 ] - [ 0.0009283100000000, -0.0002981700000000, -0.0020291500000000 ] - [ 0.0009283100000000, 0.0002981700000000, -0.0020291500000000 ] - [ -0.0003449100000000, 0.0000000000000000, -0.0168597300000000 ] - [ -0.0005139300000000, 0.0000000000000000, -0.0103494400000000 ] - [ -0.0041408400000000, 0.0000000000000000, -0.0043307600000000 ] - [ -0.0062805500000000, 0.0000000000000000, -0.0027881300000000 ] - [ -0.0007570300000000, 0.0000000000000000, 0.0028633000000000 ] - [ -0.0002894300000000, 0.0000000000000000, 0.0020122400000000 ]- atom: 67 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0129138800000000, 0.0128679000000000, -0.0024133700000000 ] - [ 0.0129138800000000, -0.0128679000000000, -0.0024133700000000 ] - [ -0.0009811000000000, 0.0000691000000000, 0.0017901700000000 ] - [ -0.0009811000000000, -0.0000691000000000, 0.0017901700000000 ] - [ 0.0029414200000000, 0.0000000000000000, 0.0036986500000000 ] - [ 0.0027516700000000, 0.0000000000000000, 0.0030459400000000 ] - [ 0.0168389000000000, 0.0000000000000000, 0.0051485700000000 ] - [ 0.0078311300000000, 0.0000000000000000, 0.0009995700000000 ] - [ -0.0123263600000000, 0.0000000000000000, 0.0209042700000000 ] - [ -0.0074201600000000, 0.0000000000000000, 0.0050559000000000 ] - [ -0.0095222500000000, -0.0035439600000000, -0.0143662300000000 ] - [ -0.0095222500000000, 0.0035439600000000, -0.0143662300000000 ] - [ 0.0081258600000000, 0.0000318000000000, -0.0009414000000000 ] - [ 0.0081258600000000, -0.0000318000000000, -0.0009414000000000 ] - [ 0.0014043400000000, -0.0002380100000000, 0.0038023100000000 ] - [ 0.0014043400000000, 0.0002380100000000, 0.0038023100000000 ] - [ -0.1768899400000000, 0.0000000000000000, 0.0140687600000000 ] - [ -0.0229304300000000, 0.0000000000000000, -0.0058938900000000 ] - [ 0.0021429500000000, 0.0003777000000000, 0.0082244300000000 ] - [ 0.0021429500000000, -0.0003777000000000, 0.0082244300000000 ] - [ 0.0103077800000000, 0.0000000000000000, 0.0073723100000000 ] - [ 0.0076369800000000, 0.0000000000000000, 0.0048092700000000 ] - [ -0.0072998300000000, 0.0055451800000000, 0.0105383600000000 ] - [ -0.0072998300000000, -0.0055451800000000, 0.0105383600000000 ] - [ -0.0256798200000000, 0.0000000000000000, -0.0187728800000000 ] - [ -0.0096739100000000, 0.0000000000000000, 0.0032405900000000 ] - [ -0.0137992900000000, 0.0000000000000000, -0.0382505900000000 ] - [ -0.0109867200000000, 0.0000000000000000, -0.0117869900000000 ] - [ 0.0057404100000000, -0.0005372300000000, -0.0007348000000000 ] - [ 0.0057404100000000, 0.0005372300000000, -0.0007348000000000 ] - [ -0.0012661300000000, 0.0000000000000000, -0.0158843700000000 ] - [ -0.0026729400000000, 0.0000000000000000, -0.0080498200000000 ] - [ 0.0039007500000000, 0.0016559700000000, -0.0130086500000000 ] - [ 0.0039007500000000, -0.0016559700000000, -0.0130086500000000 ] - [ 0.0033659600000000, 0.0000000000000000, 0.0036099400000000 ] - [ 0.0024025800000000, 0.0000000000000000, 0.0036607100000000 ] - [ -0.0009570400000000, -0.0000187600000000, -0.0004874300000000 ] - [ -0.0009570400000000, 0.0000187600000000, -0.0004874300000000 ] - [ 0.0056535200000000, -0.0032236100000000, 0.0051864800000000 ] - [ 0.0056535200000000, 0.0032236100000000, 0.0051864800000000 ] - [ -0.0005517100000000, -0.0013811800000000, 0.0096869000000000 ] - [ -0.0005517100000000, 0.0013811800000000, 0.0096869000000000 ] - [ -0.0010818200000000, 0.0000000000000000, -0.0001545300000000 ] - [ -0.0010254700000000, 0.0000000000000000, -0.0000307200000000 ] - [ 0.0177821400000000, 0.0000000000000000, 0.0015488300000000 ] - [ 0.0089900900000000, 0.0000000000000000, 0.0003529800000000 ] - [ -0.0037234000000000, 0.0000000000000000, -0.0003619900000000 ] - [ -0.0035414400000000, 0.0000000000000000, -0.0003061400000000 ] - [ -0.0089420800000000, -0.0009087900000000, -0.0025116600000000 ] - [ -0.0089420800000000, 0.0009087900000000, -0.0025116600000000 ] - [ -0.0046748000000000, 0.0000000000000000, 0.0573188000000000 ] - [ 0.0016814800000000, 0.0000000000000000, 0.0066345500000000 ] - [ 0.0045021900000000, 0.0020600700000000, -0.0027062300000000 ] - [ 0.0045021900000000, -0.0020600700000000, -0.0027062300000000 ] - [ -0.0027883000000000, 0.0000854200000000, -0.0009417500000000 ] - [ -0.0027883000000000, -0.0000854200000000, -0.0009417500000000 ] - [ -0.0413504200000000, 0.0000000000000000, -0.0022111500000000 ] - [ -0.0025373900000000, 0.0000000000000000, 0.0005278100000000 ] - [ 0.0017418500000000, 0.0000000000000000, -0.0023845200000000 ] - [ 0.0019711900000000, 0.0000000000000000, -0.0022359900000000 ] - [ -0.0041472900000000, -0.0275518900000000, -0.0029757300000000 ] - [ -0.0041472900000000, 0.0275518900000000, -0.0029757300000000 ] - [ -0.0007719500000000, 0.0000000000000000, -0.0042849000000000 ] - [ -0.0005371100000000, 0.0000000000000000, -0.0031473900000000 ] - [ -0.0023453700000000, -0.0010667300000000, -0.0031923200000000 ] - [ -0.0023453700000000, 0.0010667300000000, -0.0031923200000000 ] - [ 0.3260712300000000, 0.0000000000000000, -0.0227690500000000 ] - [ 0.0253884700000000, 0.0000000000000000, -0.0009074400000000 ] - [ -0.0047892300000000, 0.0000000000000000, -0.0022365400000000 ] - [ -0.0026147100000000, 0.0000000000000000, -0.0008479800000000 ] - [ -0.0037714000000000, 0.0000000000000000, -0.0162107300000000 ] - [ 0.0013042100000000, 0.0000000000000000, -0.0046838700000000 ] - [ -0.0009125700000000, 0.0000180600000000, -0.0058458800000000 ] - [ -0.0009125700000000, -0.0000180600000000, -0.0058458800000000 ] - [ -0.0070504100000000, 0.0007652400000000, -0.0017168300000000 ] - [ -0.0070504100000000, -0.0007652400000000, -0.0017168300000000 ] - [ -0.0002778300000000, -0.0002427600000000, -0.0025278800000000 ] - [ -0.0002778300000000, 0.0002427600000000, -0.0025278800000000 ] - [ -0.0096667300000000, 0.0000000000000000, -0.0363280800000000 ] - [ 0.0006149400000000, 0.0000000000000000, -0.0044808800000000 ] - [ 0.0029091500000000, 0.0000000000000000, 0.0005074500000000 ] - [ 0.0033170600000000, 0.0000000000000000, 0.0006290100000000 ] - [ -0.0006924800000000, 0.0000000000000000, -0.0058191900000000 ] - [ -0.0000648600000000, 0.0000000000000000, -0.0025979800000000 ] - [ -0.0096989900000000, 0.0350541000000000, 0.0106613900000000 ] - [ -0.0096989900000000, -0.0350541000000000, 0.0106613900000000 ] - [ -0.0010603800000000, 0.0000034400000000, -0.0002567600000000 ] - [ -0.0010603800000000, -0.0000034400000000, -0.0002567600000000 ] - [ 0.0114711700000000, -0.0000434300000000, 0.0005376800000000 ] - [ 0.0114711700000000, 0.0000434300000000, 0.0005376800000000 ] - [ -0.0387123000000000, 0.0000000000000000, 0.0130644600000000 ] - [ -0.0082979800000000, 0.0000000000000000, 0.0021473600000000 ] - [ -0.0010145000000000, 0.0000738600000000, -0.0025754400000000 ] - [ -0.0010145000000000, -0.0000738600000000, -0.0025754400000000 ] - [ 0.0027193300000000, 0.0000000000000000, -0.0006029200000000 ] - [ 0.0027257300000000, 0.0000000000000000, -0.0005876200000000 ] - [ -0.0041942800000000, 0.0000000000000000, 0.0117142000000000 ] - [ 0.0006659400000000, 0.0000000000000000, 0.0042606700000000 ] - [ -0.0066719000000000, 0.0017953100000000, 0.0005207400000000 ] - [ -0.0066719000000000, -0.0017953100000000, 0.0005207400000000 ] - [ 0.0037740600000000, 0.0014959900000000, 0.0015017900000000 ] - [ 0.0037740600000000, -0.0014959900000000, 0.0015017900000000 ] - [ -0.0012047500000000, 0.0000000000000000, 0.0021881900000000 ] - [ -0.0002576900000000, 0.0000000000000000, 0.0021313600000000 ] - [ 0.0007284900000000, 0.0001229300000000, 0.0101608400000000 ] - [ 0.0007284900000000, -0.0001229300000000, 0.0101608400000000 ] - [ -0.0018348600000000, 0.0000000000000000, 0.0025770300000000 ] - [ 0.0004462100000000, 0.0000000000000000, 0.0014169400000000 ] - [ -0.0056047200000000, 0.0000406100000000, -0.0000208000000000 ] - [ -0.0056047200000000, -0.0000406100000000, -0.0000208000000000 ] - [ -0.0015738400000000, -0.0000501900000000, 0.0006885300000000 ] - [ -0.0015738400000000, 0.0000501900000000, 0.0006885300000000 ] - [ -0.0007433200000000, 0.0002912500000000, -0.0026619300000000 ] - [ -0.0007433200000000, -0.0002912500000000, -0.0026619300000000 ] - [ -0.0002584200000000, 0.0000000000000000, 0.0143785900000000 ] - [ -0.0000909300000000, 0.0000000000000000, 0.0078570100000000 ] - [ -0.0059427600000000, 0.0000000000000000, 0.0028722300000000 ] - [ -0.0037945600000000, 0.0000000000000000, 0.0013278300000000 ] - [ 0.0003535200000000, 0.0000000000000000, -0.0024426300000000 ] - [ -0.0001098900000000, 0.0000000000000000, -0.0016280700000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006766100000000, 0.0001897100000000, -0.0009350600000000 ] - [ 0.0037077000000000, 0.0002694100000000, -0.0014265100000000 ] - [ -0.0036163600000000, -0.0000007400000000, -0.0003756800000000 ] - [ -0.0034133200000000, 0.0000027200000000, 0.0002690700000000 ] - [ -0.0013441000000000, 0.0001058400000000, -0.0000300000000000 ] - [ -0.0013454500000000, -0.0000972900000000, -0.0000356900000000 ] - [ 0.0022174900000000, 0.0001544800000000, -0.0011666100000000 ] - [ 0.0021712800000000, -0.0000282300000000, -0.0011926000000000 ] - [ -0.0035141200000000, 0.0003562700000000, -0.0000463400000000 ] - [ -0.0035164100000000, -0.0002767500000000, -0.0000741700000000 ] - [ 0.0003809500000000, -0.0001447300000000, -0.0026687100000000 ] - [ -0.0030749100000000, -0.0001269900000000, 0.0026445700000000 ] - [ -0.0007250800000000, -0.0000062500000000, -0.0018312600000000 ] - [ -0.0003317700000000, -0.0000062100000000, -0.0018319100000000 ] - [ -0.0033616900000000, -0.0000016800000000, -0.0008770300000000 ] - [ -0.0032093600000000, 0.0000014900000000, -0.0007193600000000 ] - [ -0.0005246000000000, 0.0146908000000000, -0.0022856000000000 ] - [ -0.0011541000000000, -0.0071509700000000, -0.0021974000000000 ] - [ -0.0043205500000000, -0.0000095100000000, 0.0016461400000000 ] - [ -0.0035002200000000, -0.0000076700000000, 0.0020749500000000 ] - [ 0.0036062500000000, 0.0000281000000000, -0.0002779300000000 ] - [ 0.0036028700000000, -0.0000252500000000, -0.0002893000000000 ] - [ -0.0031307100000000, -0.0002189000000000, 0.0011140200000000 ] - [ 0.0013780100000000, -0.0002001000000000, 0.0042826500000000 ] - [ -0.0009574900000000, 0.0079683000000000, -0.0018754300000000 ] - [ -0.0005400600000000, -0.0148701000000000, -0.0018507600000000 ] - [ -0.0032867100000000, 0.0005619700000000, -0.0007746800000000 ] - [ -0.0032794500000000, -0.0002654300000000, -0.0008001800000000 ] - [ -0.0011949000000000, -0.0000064300000000, -0.0022205500000000 ] - [ -0.0011765800000000, -0.0000005600000000, -0.0021852100000000 ] - [ -0.0039176000000000, 0.0006953300000000, 0.0018464900000000 ] - [ -0.0039154400000000, -0.0008024100000000, 0.0018813400000000 ] - [ 0.0036886600000000, -0.0000117000000000, -0.0005620000000000 ] - [ 0.0035216100000000, -0.0000052500000000, 0.0000238000000000 ] - [ -0.0008892400000000, 0.0000192900000000, 0.0026980700000000 ] - [ -0.0008946400000000, -0.0000028200000000, 0.0026959900000000 ] - [ -0.0000999000000000, 0.0000029600000000, 0.0003977200000000 ] - [ -0.0001403000000000, -0.0000009400000000, 0.0003548900000000 ] - [ 0.0050029800000000, -0.0001100500000000, 0.0014801900000000 ] - [ 0.0049501800000000, -0.0001197400000000, 0.0014246200000000 ] - [ 0.0006193800000000, -0.0000116600000000, 0.0005472100000000 ] - [ 0.0006343300000000, -0.0000180900000000, 0.0011201700000000 ] - [ 0.0006225300000000, -0.0000809500000000, 0.0009142100000000 ] - [ 0.0006222100000000, 0.0000876700000000, 0.0009137500000000 ] - [ 0.0020639200000000, -0.0002608600000000, 0.0001242000000000 ] - [ 0.0020639600000000, 0.0001212400000000, 0.0001311900000000 ] - [ 0.0001285500000000, -0.0000220200000000, -0.0000154000000000 ] - [ 0.0001355300000000, 0.0000043900000000, -0.0000151100000000 ] - [ -0.0002720600000000, 0.0000306400000000, 0.0002415100000000 ] - [ -0.0010667700000000, 0.0000239000000000, -0.0001352600000000 ] - [ -0.0000609900000000, -0.0031605300000000, -0.0001193900000000 ] - [ -0.0000703600000000, 0.0006102200000000, -0.0000651800000000 ] - [ 0.0031606100000000, 0.0000133500000000, -0.0002383600000000 ] - [ 0.0033344200000000, -0.0000102900000000, -0.0000577500000000 ] - [ -0.0002532500000000, -0.0000004700000000, 0.0001666400000000 ] - [ -0.0004842300000000, 0.0000011500000000, 0.0001022600000000 ] - [ -0.0029814300000000, 0.0010032000000000, 0.0005748500000000 ] - [ -0.0030725500000000, 0.0014197700000000, 0.0005705100000000 ] - [ 0.0039519700000000, -0.0001956100000000, -0.0013933600000000 ] - [ 0.0039516400000000, 0.0002038500000000, -0.0013934300000000 ] - [ 0.0089685700000000, 0.0029913300000000, 0.0022538900000000 ] - [ -0.0060150300000000, 0.0029754300000000, 0.0022647300000000 ] - [ 0.0002099000000000, -0.0000106500000000, 0.0005502200000000 ] - [ 0.0002093500000000, 0.0000101900000000, 0.0005622000000000 ] - [ 0.0021190600000000, 0.0000461000000000, 0.0006256400000000 ] - [ 0.0008456500000000, 0.0000413800000000, 0.0000291800000000 ] - [ -0.0001407600000000, -0.0395969500000000, 0.0002768100000000 ] - [ 0.0002137400000000, 0.0021021900000000, 0.0000758200000000 ] - [ -0.0004932500000000, 0.0000003200000000, -0.0001324600000000 ] - [ -0.0004885900000000, 0.0000146800000000, -0.0001287600000000 ] - [ 0.0000967700000000, -0.0018264200000000, -0.0023303000000000 ] - [ 0.0000857100000000, 0.0012273300000000, -0.0023498200000000 ] - [ -0.0002699900000000, 0.0000012700000000, -0.0010886400000000 ] - [ -0.0003300700000000, 0.0000008900000000, -0.0013340500000000 ] - [ -0.0050158600000000, 0.0000012500000000, -0.0007226300000000 ] - [ -0.0050465600000000, -0.0000031700000000, -0.0007294200000000 ] - [ -0.0000216500000000, -0.0000528200000000, 0.0008328300000000 ] - [ -0.0003878800000000, -0.0000573900000000, -0.0004689000000000 ] - [ -0.0001192600000000, -0.0020324900000000, 0.0003442100000000 ] - [ -0.0001159900000000, 0.0003408200000000, 0.0003979300000000 ] - [ 0.0049771100000000, -0.0000524600000000, 0.0014529700000000 ] - [ 0.0049786100000000, 0.0000531200000000, 0.0014535200000000 ] - [ 0.0006244200000000, 0.0000329500000000, 0.0008310300000000 ] - [ 0.0006270700000000, 0.0000178600000000, 0.0008533800000000 ] - [ -0.0109439000000000, 0.0137724600000000, 0.0024503600000000 ] - [ 0.0124279300000000, 0.0139701000000000, -0.0006857000000000 ] - [ 0.0021327400000000, 0.0000026500000000, 0.0001588100000000 ] - [ 0.0020004000000000, -0.0000017000000000, 0.0000979500000000 ] - [ 0.0008516100000000, 0.0012985500000000, 0.0022882900000000 ] - [ -0.0006077000000000, 0.0013101300000000, -0.0023511400000000 ] - [ -0.0007575600000000, 0.0018716900000000, 0.0000846200000000 ] - [ -0.0006365500000000, 0.0013116500000000, 0.0000450700000000 ] - [ -0.0000613300000000, 0.0000004400000000, -0.0000489800000000 ] - [ -0.0000759300000000, -0.0000002900000000, -0.0000919000000000 ] - [ 0.0032428200000000, -0.0001606700000000, -0.0001503500000000 ] - [ 0.0032430500000000, 0.0001586500000000, -0.0001504800000000 ] - [ -0.0003744600000000, -0.0014479400000000, 0.0001437800000000 ] - [ -0.0003694700000000, 0.0010738100000000, 0.0001255100000000 ] - [ -0.0030619700000000, 0.0000610000000000, 0.0005607900000000 ] - [ -0.0030536200000000, 0.0000384200000000, 0.0005784200000000 ] - [ 0.0035335400000000, 0.0001228600000000, -0.0011305500000000 ] - [ 0.0043747900000000, 0.0001081200000000, -0.0016641200000000 ] - [ 0.0015194800000000, -0.0000159200000000, 0.0022606300000000 ] - [ 0.0015240900000000, 0.0000240600000000, 0.0022604300000000 ] - [ -0.0000090900000000, -0.0000230100000000, 0.0014680500000000 ] - [ 0.0004297600000000, -0.0000251000000000, -0.0003776100000000 ] - [ 0.0014819800000000, -0.0001107800000000, 0.0003302000000000 ] - [ 0.0014914600000000, 0.0000039100000000, 0.0003243800000000 ] - [ 0.0002928800000000, 0.0000014900000000, 0.0000897000000000 ] - [ 0.0002103900000000, 0.0000010900000000, 0.0000686800000000 ] - [ -0.0003853600000000, 0.0000058100000000, -0.0000765600000000 ] - [ -0.0005980000000000, 0.0000011600000000, -0.0001866800000000 ] - [ 0.0000919200000000, -0.0000042500000000, -0.0023416900000000 ] - [ 0.0000860600000000, -0.0000075300000000, -0.0023541900000000 ] - [ -0.0002988700000000, -0.0000123500000000, -0.0012147500000000 ] - [ -0.0003001500000000, 0.0000907000000000, -0.0012193900000000 ] - [ -0.0050286400000000, -0.0002731200000000, -0.0007293900000000 ] - [ -0.0050328700000000, 0.0003146600000000, -0.0007274900000000 ] - [ -0.0002042500000000, -0.0000046800000000, 0.0001813200000000 ] - [ -0.0002032300000000, 0.0000103800000000, 0.0001868000000000 ]- atom: 67 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0080207600000000, 0.0086294700000000, -0.0015034800000000 ] - [ 0.0080207600000000, -0.0086294700000000, -0.0015034800000000 ] - [ -0.0021742300000000, 0.0000214700000000, -0.0001374700000000 ] - [ -0.0021742300000000, -0.0000214700000000, -0.0001374700000000 ] - [ 0.0005867000000000, 0.0000000000000000, 0.0017459500000000 ] - [ 0.0005056900000000, 0.0000000000000000, 0.0014460800000000 ] - [ 0.0084504100000000, 0.0000000000000000, 0.0014049500000000 ] - [ 0.0054166600000000, 0.0000000000000000, 0.0001587900000000 ] - [ -0.0086549400000000, 0.0000000000000000, 0.0096874500000000 ] - [ -0.0058525100000000, 0.0000000000000000, 0.0025453300000000 ] - [ -0.0028806200000000, -0.0038336500000000, -0.0088946600000000 ] - [ -0.0028806200000000, 0.0038336500000000, -0.0088946600000000 ] - [ 0.0040219200000000, 0.0000376200000000, -0.0015771900000000 ] - [ 0.0040219200000000, -0.0000376200000000, -0.0015771900000000 ] - [ -0.0013824000000000, -0.0000985200000000, 0.0012235800000000 ] - [ -0.0013824000000000, 0.0000985200000000, 0.0012235800000000 ] - [ -0.1076962200000000, 0.0000000000000000, 0.0244349700000000 ] - [ -0.0121225200000000, 0.0000000000000000, -0.0019100200000000 ] - [ -0.0016146400000000, 0.0002210200000000, 0.0052772400000000 ] - [ -0.0016146400000000, -0.0002210200000000, 0.0052772400000000 ] - [ 0.0064636400000000, 0.0000000000000000, 0.0030894400000000 ] - [ 0.0052853600000000, 0.0000000000000000, 0.0022037400000000 ] - [ -0.0070471800000000, 0.0003820800000000, 0.0061819500000000 ] - [ -0.0070471800000000, -0.0003820800000000, 0.0061819500000000 ] - [ -0.0063883500000000, 0.0000000000000000, 0.0063793900000000 ] - [ -0.0053238600000000, 0.0000000000000000, 0.0021472500000000 ] - [ -0.0079661300000000, 0.0000000000000000, -0.0253053000000000 ] - [ -0.0067343300000000, 0.0000000000000000, -0.0070723600000000 ] - [ 0.0021106300000000, -0.0001941400000000, -0.0015850400000000 ] - [ 0.0021106300000000, 0.0001941400000000, -0.0015850400000000 ] - [ -0.0000048500000000, 0.0000000000000000, -0.0062407200000000 ] - [ -0.0024317000000000, 0.0000000000000000, -0.0035662700000000 ] - [ 0.0046878600000000, 0.0012126300000000, -0.0086723600000000 ] - [ 0.0046878600000000, -0.0012126300000000, -0.0086723600000000 ] - [ 0.0012761500000000, 0.0000000000000000, 0.0028337800000000 ] - [ 0.0008168200000000, 0.0000000000000000, 0.0029435300000000 ] - [ -0.0005616400000000, -0.0000132800000000, 0.0003041200000000 ] - [ -0.0005616400000000, 0.0000132800000000, 0.0003041200000000 ] - [ 0.0048792600000000, -0.0023443400000000, 0.0037326500000000 ] - [ 0.0048792600000000, 0.0023443400000000, 0.0037326500000000 ] - [ -0.0001592100000000, -0.0009105200000000, 0.0060001200000000 ] - [ -0.0001592100000000, 0.0009105200000000, 0.0060001200000000 ] - [ -0.0002621800000000, 0.0000000000000000, 0.0003692800000000 ] - [ -0.0002314200000000, 0.0000000000000000, 0.0004300700000000 ] - [ 0.0101252300000000, 0.0000000000000000, 0.0012840900000000 ] - [ 0.0054679000000000, 0.0000000000000000, 0.0003708600000000 ] - [ -0.0016541400000000, 0.0000000000000000, -0.0001646500000000 ] - [ -0.0015765300000000, 0.0000000000000000, -0.0001591900000000 ] - [ -0.0052618200000000, -0.0006334500000000, -0.0015362000000000 ] - [ -0.0052618200000000, 0.0006334500000000, -0.0015362000000000 ] - [ -0.0144233500000000, 0.0000000000000000, 0.0347173100000000 ] - [ 0.0006846900000000, 0.0000000000000000, 0.0026783600000000 ] - [ 0.0040476300000000, 0.0007297000000000, -0.0013032000000000 ] - [ 0.0040476300000000, -0.0007297000000000, -0.0013032000000000 ] - [ -0.0014589000000000, 0.0000365700000000, -0.0004317100000000 ] - [ -0.0014589000000000, -0.0000365700000000, -0.0004317100000000 ] - [ -0.0276252900000000, 0.0000000000000000, -0.0001490900000000 ] - [ -0.0024799800000000, 0.0000000000000000, 0.0002998500000000 ] - [ 0.0030008200000000, 0.0000000000000000, -0.0019670200000000 ] - [ 0.0031033900000000, 0.0000000000000000, -0.0018843800000000 ] - [ -0.0003666400000000, -0.0151970800000000, -0.0021695200000000 ] - [ -0.0003666400000000, 0.0151970800000000, -0.0021695200000000 ] - [ -0.0002139000000000, 0.0000000000000000, -0.0016753900000000 ] - [ -0.0001201200000000, 0.0000000000000000, -0.0011576600000000 ] - [ 0.0007801800000000, -0.0003369900000000, -0.0019096900000000 ] - [ 0.0007801800000000, 0.0003369900000000, -0.0019096900000000 ] - [ 0.1824701500000000, 0.0000000000000000, -0.0475330900000000 ] - [ 0.0137605900000000, 0.0000000000000000, -0.0009526300000000 ] - [ -0.0022887000000000, 0.0000000000000000, -0.0010662100000000 ] - [ -0.0012212600000000, 0.0000000000000000, -0.0004867500000000 ] - [ 0.0025645600000000, 0.0000000000000000, -0.0069423600000000 ] - [ 0.0010496900000000, 0.0000000000000000, -0.0045681100000000 ] - [ -0.0005401500000000, 0.0000104100000000, -0.0034144700000000 ] - [ -0.0005401500000000, -0.0000104100000000, -0.0034144700000000 ] - [ -0.0058846900000000, 0.0003056100000000, -0.0011742400000000 ] - [ -0.0058846900000000, -0.0003056100000000, -0.0011742400000000 ] - [ -0.0000767000000000, -0.0001301500000000, -0.0001178900000000 ] - [ -0.0000767000000000, 0.0001301500000000, -0.0001178900000000 ] - [ 0.0025749900000000, 0.0000000000000000, -0.0191203000000000 ] - [ 0.0003047500000000, 0.0000000000000000, -0.0029379800000000 ] - [ 0.0041076200000000, 0.0000000000000000, 0.0010378600000000 ] - [ 0.0042729200000000, 0.0000000000000000, 0.0010859500000000 ] - [ 0.0000164900000000, 0.0000000000000000, -0.0020579500000000 ] - [ 0.0002909900000000, 0.0000000000000000, -0.0009747100000000 ] - [ -0.0068444600000000, 0.0195695600000000, 0.0034606300000000 ] - [ -0.0068444600000000, -0.0195695600000000, 0.0034606300000000 ] - [ 0.0008324700000000, 0.0000018600000000, 0.0000190800000000 ] - [ 0.0008324700000000, -0.0000018600000000, 0.0000190800000000 ] - [ 0.0061255200000000, 0.0019483800000000, 0.0022718500000000 ] - [ 0.0061255200000000, -0.0019483800000000, 0.0022718500000000 ] - [ -0.0151731000000000, 0.0000000000000000, 0.0060299900000000 ] - [ -0.0051968500000000, 0.0000000000000000, 0.0010089800000000 ] - [ -0.0004920900000000, 0.0000262200000000, -0.0011195600000000 ] - [ -0.0004920900000000, -0.0000262200000000, -0.0011195600000000 ] - [ 0.0029711100000000, 0.0000000000000000, -0.0001394800000000 ] - [ 0.0029759700000000, 0.0000000000000000, -0.0001438300000000 ] - [ -0.0074134600000000, 0.0000000000000000, 0.0087321600000000 ] - [ -0.0004557500000000, 0.0000000000000000, 0.0018793700000000 ] - [ -0.0047561600000000, 0.0005521600000000, 0.0005182600000000 ] - [ -0.0047561600000000, -0.0005521600000000, 0.0005182600000000 ] - [ 0.0032219100000000, 0.0008775500000000, 0.0000013900000000 ] - [ 0.0032219100000000, -0.0008775500000000, 0.0000013900000000 ] - [ 0.0002967100000000, 0.0000000000000000, 0.0021793200000000 ] - [ 0.0006277500000000, 0.0000000000000000, 0.0022028700000000 ] - [ 0.0002067200000000, 0.0001064500000000, 0.0072179500000000 ] - [ 0.0002067200000000, -0.0001064500000000, 0.0072179500000000 ] - [ -0.0006740600000000, 0.0000000000000000, 0.0009742600000000 ] - [ 0.0006263200000000, 0.0000000000000000, 0.0007923600000000 ] - [ -0.0026153000000000, 0.0000115500000000, 0.0000276900000000 ] - [ -0.0026153000000000, -0.0000115500000000, 0.0000276900000000 ] - [ -0.0015133000000000, -0.0000352200000000, 0.0005498100000000 ] - [ -0.0015133000000000, 0.0000352200000000, 0.0005498100000000 ] - [ -0.0003382900000000, 0.0001272800000000, -0.0024758300000000 ] - [ -0.0003382900000000, -0.0001272800000000, -0.0024758300000000 ] - [ -0.0004934000000000, 0.0000000000000000, 0.0083169800000000 ] - [ -0.0002925000000000, 0.0000000000000000, 0.0042179200000000 ] - [ -0.0063486300000000, 0.0000000000000000, 0.0016938500000000 ] - [ -0.0046947600000000, 0.0000000000000000, 0.0005848900000000 ] - [ 0.0001190000000000, 0.0000000000000000, -0.0007894100000000 ] - [ -0.0001311100000000, 0.0000000000000000, -0.0004700400000000 ]- atom: 67 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ -0.0036581500000000, -0.0086251900000000, -0.0008441200000000 ] - [ -0.0036581500000000, 0.0086251900000000, -0.0008441200000000 ] - [ -0.0048498800000000, -0.0000277200000000, 0.0000163000000000 ] - [ -0.0048498800000000, 0.0000277200000000, 0.0000163000000000 ] - [ -0.0032806100000000, 0.0000000000000000, -0.0018126200000000 ] - [ -0.0031979400000000, 0.0000000000000000, -0.0015231500000000 ] - [ -0.0040563000000000, 0.0000000000000000, -0.0037523000000000 ] - [ -0.0010389800000000, 0.0000000000000000, -0.0025260300000000 ] - [ 0.0015934700000000, 0.0000000000000000, -0.0098194700000000 ] - [ -0.0011785400000000, 0.0000000000000000, -0.0026620800000000 ] - [ 0.0002320300000000, 0.0038577900000000, 0.0088188300000000 ] - [ 0.0002320300000000, -0.0038577900000000, 0.0088188300000000 ] - [ -0.0050816300000000, -0.0000367900000000, -0.0020807000000000 ] - [ -0.0050816300000000, 0.0000367900000000, -0.0020807000000000 ] - [ -0.0051902800000000, 0.0000953300000000, -0.0028261700000000 ] - [ -0.0051902800000000, -0.0000953300000000, -0.0028261700000000 ] - [ 0.1012250600000000, 0.0000000000000000, -0.0293443000000000 ] - [ 0.0097497900000000, 0.0000000000000000, -0.0024674500000000 ] - [ -0.0062156500000000, -0.0002188600000000, -0.0015603600000000 ] - [ -0.0062156500000000, 0.0002188600000000, -0.0015603600000000 ] - [ 0.0007293400000000, 0.0000000000000000, -0.0036556500000000 ] - [ 0.0019191600000000, 0.0000000000000000, -0.0027802700000000 ] - [ 0.0052472300000000, -0.0004119200000000, -0.0008232500000000 ] - [ 0.0052472300000000, 0.0004119200000000, -0.0008232500000000 ] - [ 0.0059983400000000, 0.0000000000000000, -0.0099463600000000 ] - [ 0.0042958800000000, 0.0000000000000000, -0.0058031500000000 ] - [ 0.0013275000000000, 0.0000000000000000, 0.0235671800000000 ] - [ 0.0001657300000000, 0.0000000000000000, 0.0054993700000000 ] - [ -0.0044735400000000, 0.0001932200000000, -0.0028137700000000 ] - [ -0.0044735400000000, -0.0001932200000000, -0.0028137700000000 ] - [ -0.0078360100000000, 0.0000000000000000, 0.0099258500000000 ] - [ -0.0053793500000000, 0.0000000000000000, 0.0072924600000000 ] - [ 0.0025265000000000, -0.0011992200000000, 0.0081108000000000 ] - [ 0.0025265000000000, 0.0011992200000000, 0.0081108000000000 ] - [ -0.0030712400000000, 0.0000000000000000, 0.0025563500000000 ] - [ -0.0026133700000000, 0.0000000000000000, 0.0024473200000000 ] - [ 0.0003203100000000, 0.0000119700000000, 0.0004522000000000 ] - [ 0.0003203100000000, -0.0000119700000000, 0.0004522000000000 ] - [ 0.0050704100000000, 0.0023244500000000, -0.0008264500000000 ] - [ 0.0050704100000000, -0.0023244500000000, -0.0008264500000000 ] - [ 0.0014098100000000, 0.0009092700000000, -0.0043413300000000 ] - [ 0.0014098100000000, -0.0009092700000000, -0.0043413300000000 ] - [ 0.0015039400000000, 0.0000000000000000, 0.0014509200000000 ] - [ 0.0014722500000000, 0.0000000000000000, 0.0013912800000000 ] - [ -0.0059118400000000, 0.0000000000000000, -0.0010391600000000 ] - [ -0.0013318500000000, 0.0000000000000000, -0.0001147000000000 ] - [ 0.0019265100000000, 0.0000000000000000, 0.0001348500000000 ] - [ 0.0018557100000000, 0.0000000000000000, 0.0001290700000000 ] - [ 0.0039245100000000, 0.0006345800000000, 0.0016450200000000 ] - [ 0.0039245100000000, -0.0006345800000000, 0.0016450200000000 ] - [ 0.0139854200000000, 0.0000000000000000, -0.0344409200000000 ] - [ -0.0008167900000000, 0.0000000000000000, -0.0028466100000000 ] - [ 0.0024549400000000, -0.0007246700000000, 0.0010032100000000 ] - [ 0.0024549400000000, 0.0007246700000000, 0.0010032100000000 ] - [ 0.0007232000000000, -0.0000349500000000, 0.0006985500000000 ] - [ 0.0007232000000000, 0.0000349500000000, 0.0006985500000000 ] - [ 0.0213804700000000, 0.0000000000000000, 0.0013172800000000 ] - [ -0.0036318200000000, 0.0000000000000000, 0.0008395200000000 ] - [ 0.0048972300000000, 0.0000000000000000, -0.0008225500000000 ] - [ 0.0047954000000000, 0.0000000000000000, -0.0009060100000000 ] - [ 0.0034674400000000, 0.0151678000000000, 0.0066671300000000 ] - [ 0.0034674400000000, -0.0151678000000000, 0.0066671300000000 ] - [ 0.0006325300000000, 0.0000000000000000, 0.0027923700000000 ] - [ 0.0005370000000000, 0.0000000000000000, 0.0022925200000000 ] - [ 0.0022027800000000, 0.0003402800000000, 0.0025637300000000 ] - [ 0.0022027800000000, -0.0003402800000000, 0.0025637300000000 ] - [ -0.1782556300000000, 0.0000000000000000, 0.0477713800000000 ] - [ -0.0132802900000000, 0.0000000000000000, 0.0011135500000000 ] - [ 0.0013232700000000, 0.0000000000000000, 0.0007980700000000 ] - [ 0.0002455900000000, 0.0000000000000000, 0.0002230600000000 ] - [ -0.0023437400000000, 0.0000000000000000, 0.0022846600000000 ] - [ -0.0008702800000000, 0.0000000000000000, -0.0001253200000000 ] - [ -0.0000569000000000, -0.0000106100000000, 0.0009967800000000 ] - [ -0.0000569000000000, 0.0000106100000000, 0.0009967800000000 ] - [ -0.0041778700000000, -0.0003069100000000, -0.0002805600000000 ] - [ -0.0041778700000000, 0.0003069100000000, -0.0002805600000000 ] - [ -0.0003218900000000, 0.0001294500000000, 0.0004999800000000 ] - [ -0.0003218900000000, -0.0001294500000000, 0.0004999800000000 ] - [ -0.0029199000000000, 0.0000000000000000, 0.0199937000000000 ] - [ -0.0005500800000000, 0.0000000000000000, 0.0036972300000000 ] - [ 0.0058463700000000, 0.0000000000000000, 0.0018670500000000 ] - [ 0.0056820700000000, 0.0000000000000000, 0.0018209500000000 ] - [ 0.0012323100000000, 0.0000000000000000, 0.0037271600000000 ] - [ 0.0009614200000000, 0.0000000000000000, 0.0026739300000000 ] - [ 0.0081103100000000, -0.0196894400000000, -0.0016221900000000 ] - [ 0.0081103100000000, 0.0196894400000000, -0.0016221900000000 ] - [ 0.0033088000000000, -0.0000042000000000, 0.0002408400000000 ] - [ 0.0033088000000000, 0.0000042000000000, 0.0002408400000000 ] - [ -0.0058853200000000, -0.0019587600000000, -0.0023045300000000 ] - [ -0.0058853200000000, 0.0019587600000000, -0.0023045300000000 ] - [ 0.0137886100000000, 0.0000000000000000, -0.0059199900000000 ] - [ 0.0038534500000000, 0.0000000000000000, -0.0009048000000000 ] - [ 0.0003589000000000, -0.0000266100000000, 0.0009777500000000 ] - [ 0.0003589000000000, 0.0000266100000000, 0.0009777500000000 ] - [ 0.0035305800000000, 0.0000000000000000, -0.0001588800000000 ] - [ 0.0035246900000000, 0.0000000000000000, -0.0001547500000000 ] - [ 0.0067909400000000, 0.0000000000000000, -0.0085746700000000 ] - [ -0.0002938900000000, 0.0000000000000000, -0.0016178700000000 ] - [ -0.0013588100000000, -0.0005468100000000, 0.0006221000000000 ] - [ -0.0013588100000000, 0.0005468100000000, 0.0006221000000000 ] - [ 0.0046655400000000, -0.0008829800000000, -0.0027898900000000 ] - [ 0.0046655400000000, 0.0008829800000000, -0.0027898900000000 ] - [ 0.0027465600000000, 0.0000000000000000, 0.0023419300000000 ] - [ 0.0024134500000000, 0.0000000000000000, 0.0023171200000000 ] - [ 0.0002027500000000, -0.0001104000000000, -0.0060794000000000 ] - [ 0.0002027500000000, 0.0001104000000000, -0.0060794000000000 ] - [ 0.0036599100000000, 0.0000000000000000, -0.0003139300000000 ] - [ 0.0023467300000000, 0.0000000000000000, -0.0001423300000000 ] - [ 0.0031142000000000, -0.0000115600000000, 0.0001343000000000 ] - [ 0.0031142000000000, 0.0000115600000000, 0.0001343000000000 ] - [ 0.0005270200000000, 0.0000328300000000, -0.0008147200000000 ] - [ 0.0005270200000000, -0.0000328300000000, -0.0008147200000000 ] - [ 0.0005163200000000, -0.0001293700000000, -0.0022181000000000 ] - [ 0.0005163200000000, 0.0001293700000000, -0.0022181000000000 ] - [ -0.0000975400000000, 0.0000000000000000, -0.0107154700000000 ] - [ -0.0003047400000000, 0.0000000000000000, -0.0066455600000000 ] - [ -0.0037409200000000, 0.0000000000000000, -0.0031348200000000 ] - [ -0.0053702100000000, 0.0000000000000000, -0.0020394900000000 ] - [ -0.0005212100000000, 0.0000000000000000, 0.0011611800000000 ] - [ -0.0002697700000000, 0.0000000000000000, 0.0008393700000000 ]- atom: 69 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ -0.0022075700000000, -0.0002765400000000, -0.0049353900000000 ] - [ -0.0022075700000000, 0.0002765400000000, -0.0049353900000000 ] - [ -0.0114335600000000, 0.0001516800000000, -0.0026833300000000 ] - [ -0.0114335600000000, -0.0001516800000000, -0.0026833300000000 ] - [ 0.0106173000000000, 0.0000000000000000, -0.0227780300000000 ] - [ 0.0042786100000000, 0.0000000000000000, -0.0034785900000000 ] - [ 0.0100952600000000, 0.0000000000000000, 0.0261551700000000 ] - [ 0.0080214600000000, 0.0000000000000000, 0.0060402900000000 ] - [ 0.0168515900000000, 0.0000000000000000, 0.0060024400000000 ] - [ 0.0052477200000000, 0.0000000000000000, 0.0023365100000000 ] - [ -0.0035816400000000, -0.0004743500000000, -0.0015030100000000 ] - [ -0.0035816400000000, 0.0004743500000000, -0.0015030100000000 ] - [ -0.0028819900000000, 0.0007827500000000, -0.0034232200000000 ] - [ -0.0028819900000000, -0.0007827500000000, -0.0034232200000000 ] - [ -0.0146694800000000, 0.0108492100000000, -0.0003417800000000 ] - [ -0.0146694800000000, -0.0108492100000000, -0.0003417800000000 ] - [ -0.0069292000000000, 0.0000000000000000, -0.0077803200000000 ] - [ -0.0051291400000000, 0.0000000000000000, -0.0064241500000000 ] - [ -0.0084910200000000, 0.0013900200000000, -0.0051415200000000 ] - [ -0.0084910200000000, -0.0013900200000000, -0.0051415200000000 ] - [ 0.2921214500000000, 0.0000000000000000, -0.0189716700000000 ] - [ 0.0254156900000000, 0.0000000000000000, 0.0002214600000000 ] - [ -0.0062215400000000, -0.0001913700000000, -0.0004447400000000 ] - [ -0.0062215400000000, 0.0001913700000000, -0.0004447400000000 ] - [ 0.0028115700000000, 0.0000000000000000, -0.0190083800000000 ] - [ 0.0021486200000000, 0.0000000000000000, -0.0076421500000000 ] - [ -0.0227346800000000, 0.0000000000000000, 0.0007799300000000 ] - [ -0.0116179500000000, 0.0000000000000000, 0.0000269800000000 ] - [ -0.0023109700000000, 0.0008321500000000, 0.0059786300000000 ] - [ -0.0023109700000000, -0.0008321500000000, 0.0059786300000000 ] - [ -0.0017541700000000, 0.0000000000000000, 0.0101028600000000 ] - [ -0.0016451500000000, 0.0000000000000000, 0.0070271500000000 ] - [ -0.0033000300000000, -0.0010395500000000, -0.0021428900000000 ] - [ -0.0033000300000000, 0.0010395500000000, -0.0021428900000000 ] - [ 0.0122720200000000, 0.0000000000000000, 0.0247294600000000 ] - [ 0.0053724000000000, 0.0000000000000000, 0.0118010200000000 ] - [ 0.0005773100000000, -0.0000742700000000, 0.0015404000000000 ] - [ 0.0005773100000000, 0.0000742700000000, 0.0015404000000000 ] - [ 0.0080065900000000, 0.0017803400000000, 0.0017631600000000 ] - [ 0.0080065900000000, -0.0017803400000000, 0.0017631600000000 ] - [ 0.0014427400000000, 0.0000973200000000, 0.0034251000000000 ] - [ 0.0014427400000000, -0.0000973200000000, 0.0034251000000000 ] - [ 0.0010798500000000, 0.0000000000000000, 0.0033260300000000 ] - [ 0.0008081700000000, 0.0000000000000000, 0.0014906000000000 ] - [ 0.0427977300000000, 0.0000000000000000, 0.0000978600000000 ] - [ 0.0105621400000000, 0.0000000000000000, -0.0004685300000000 ] - [ -0.0196837900000000, 0.0000000000000000, -0.0005960700000000 ] - [ -0.0079798000000000, 0.0000000000000000, -0.0004664600000000 ] - [ 0.0029485400000000, -0.0001162300000000, 0.0021481100000000 ] - [ 0.0029485400000000, 0.0001162300000000, 0.0021481100000000 ] - [ 0.0011403300000000, 0.0000000000000000, 0.0060082000000000 ] - [ 0.0007292900000000, 0.0000000000000000, 0.0038127100000000 ] - [ 0.0137772700000000, 0.0298583900000000, 0.0005444100000000 ] - [ 0.0137772700000000, -0.0298583900000000, 0.0005444100000000 ] - [ 0.0001293300000000, -0.0021978200000000, 0.0016716200000000 ] - [ 0.0001293300000000, 0.0021978200000000, 0.0016716200000000 ] - [ -0.0003734400000000, 0.0000000000000000, 0.0013504200000000 ] - [ -0.0009960900000000, 0.0000000000000000, 0.0012760100000000 ] - [ 0.0056779900000000, 0.0000000000000000, 0.0003855700000000 ] - [ 0.0040018000000000, 0.0000000000000000, -0.0006435600000000 ] - [ 0.0031746300000000, 0.0004989600000000, 0.0035154600000000 ] - [ 0.0031746300000000, -0.0004989600000000, 0.0035154600000000 ] - [ 0.0061465800000000, 0.0000000000000000, 0.0453757500000000 ] - [ -0.0013009400000000, 0.0000000000000000, 0.0053583600000000 ] - [ 0.0061143200000000, -0.0000068800000000, 0.0020390800000000 ] - [ 0.0061143200000000, 0.0000068800000000, 0.0020390800000000 ] - [ 0.0045877800000000, 0.0000000000000000, 0.0005143300000000 ] - [ 0.0023828100000000, 0.0000000000000000, 0.0004686100000000 ] - [ -0.4224348800000000, 0.0000000000000000, 0.0115430300000000 ] - [ -0.0229111200000000, 0.0000000000000000, -0.0003287900000000 ] - [ 0.0012121300000000, 0.0000000000000000, -0.0005752700000000 ] - [ 0.0010910800000000, 0.0000000000000000, -0.0009651200000000 ] - [ 0.0006864000000000, -0.0008382900000000, 0.0046535900000000 ] - [ 0.0006864000000000, 0.0008382900000000, 0.0046535900000000 ] - [ -0.0006663600000000, -0.0311450000000000, -0.0003380000000000 ] - [ -0.0006663600000000, 0.0311450000000000, -0.0003380000000000 ] - [ 0.0008500900000000, -0.0000014300000000, 0.0029285900000000 ] - [ 0.0008500900000000, 0.0000014300000000, 0.0029285900000000 ] - [ 0.0059590600000000, 0.0000000000000000, 0.0259693900000000 ] - [ -0.0009013900000000, 0.0000000000000000, 0.0065887800000000 ] - [ 0.0347737200000000, 0.0000000000000000, 0.0021736500000000 ] - [ 0.0046848900000000, 0.0000000000000000, 0.0011843500000000 ] - [ 0.0036751900000000, 0.0000000000000000, -0.0474140000000000 ] - [ -0.0009922800000000, 0.0000000000000000, -0.0053026800000000 ] - [ 0.0004062700000000, 0.0015951500000000, 0.0025110500000000 ] - [ 0.0004062700000000, -0.0015951500000000, 0.0025110500000000 ] - [ 0.0098964900000000, -0.0007964600000000, -0.0002596900000000 ] - [ 0.0098964900000000, 0.0007964600000000, -0.0002596900000000 ] - [ 0.0037809300000000, 0.0000699900000000, 0.0005190500000000 ] - [ 0.0037809300000000, -0.0000699900000000, 0.0005190500000000 ] - [ -0.0140845300000000, 0.0000000000000000, -0.0025018200000000 ] - [ -0.0072908300000000, 0.0000000000000000, -0.0016073400000000 ] - [ 0.0008862500000000, -0.0008021900000000, -0.0062542900000000 ] - [ 0.0008862500000000, 0.0008021900000000, -0.0062542900000000 ] - [ 0.0049850700000000, 0.0000000000000000, 0.0004551000000000 ] - [ 0.0049174600000000, 0.0000000000000000, 0.0004185800000000 ] - [ -0.0004285200000000, 0.0000000000000000, 0.0018931600000000 ] - [ -0.0005607300000000, 0.0000000000000000, 0.0009906200000000 ] - [ -0.0030888500000000, -0.0032542800000000, -0.0017697600000000 ] - [ -0.0030888500000000, 0.0032542800000000, -0.0017697600000000 ] - [ 0.0039204700000000, 0.0004189900000000, -0.0019424000000000 ] - [ 0.0039204700000000, -0.0004189900000000, -0.0019424000000000 ] - [ 0.0020906500000000, 0.0000000000000000, -0.0011076000000000 ] - [ 0.0010114600000000, 0.0000000000000000, -0.0000965200000000 ] - [ 0.0008753100000000, 0.0001296000000000, 0.0013693400000000 ] - [ 0.0008753100000000, -0.0001296000000000, 0.0013693400000000 ] - [ -0.0004943400000000, 0.0000000000000000, -0.0039895300000000 ] - [ -0.0009935800000000, 0.0000000000000000, -0.0022312400000000 ] - [ 0.0013268700000000, -0.0001005500000000, -0.0004700400000000 ] - [ 0.0013268700000000, 0.0001005500000000, -0.0004700400000000 ] - [ 0.0053543300000000, 0.0000707300000000, 0.0002262300000000 ] - [ 0.0053543300000000, -0.0000707300000000, 0.0002262300000000 ] - [ -0.0009108300000000, 0.0010777100000000, -0.0060045800000000 ] - [ -0.0009108300000000, -0.0010777100000000, -0.0060045800000000 ] - [ 0.0007445000000000, 0.0000000000000000, -0.0099431000000000 ] - [ 0.0001077900000000, 0.0000000000000000, -0.0060562000000000 ] - [ 0.0001666600000000, 0.0000000000000000, -0.0002555600000000 ] - [ -0.0025696800000000, 0.0000000000000000, -0.0004355400000000 ] - [ 0.0058812900000000, 0.0000000000000000, -0.0303617600000000 ] - [ -0.0014434700000000, 0.0000000000000000, -0.0088326900000000 ]- atom: 69 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0066392600000000, 0.0002805800000000, 0.0026034200000000 ] - [ 0.0066392600000000, -0.0002805800000000, 0.0026034200000000 ] - [ 0.0044453600000000, -0.0001608000000000, 0.0025987100000000 ] - [ 0.0044453600000000, 0.0001608000000000, 0.0025987100000000 ] - [ -0.0133485700000000, 0.0000000000000000, 0.0230375800000000 ] - [ -0.0069867700000000, 0.0000000000000000, 0.0034591700000000 ] - [ -0.0057542800000000, 0.0000000000000000, -0.0288531800000000 ] - [ -0.0036761600000000, 0.0000000000000000, -0.0084835400000000 ] - [ -0.0286387700000000, 0.0000000000000000, -0.0066000000000000 ] - [ -0.0124006400000000, 0.0000000000000000, -0.0024744100000000 ] - [ 0.0009023000000000, 0.0004784200000000, 0.0014338900000000 ] - [ 0.0009023000000000, -0.0004784200000000, 0.0014338900000000 ] - [ 0.0018616400000000, -0.0007930300000000, -0.0002092500000000 ] - [ 0.0018616400000000, 0.0007930300000000, -0.0002092500000000 ] - [ 0.0081519800000000, -0.0108107000000000, -0.0012505700000000 ] - [ 0.0081519800000000, 0.0108107000000000, -0.0012505700000000 ] - [ 0.0045879600000000, 0.0000000000000000, 0.0034373800000000 ] - [ 0.0027852200000000, 0.0000000000000000, 0.0020587400000000 ] - [ 0.0007351800000000, -0.0014093400000000, 0.0089036100000000 ] - [ 0.0007351800000000, 0.0014093400000000, 0.0089036100000000 ] - [ -0.2643460600000000, 0.0000000000000000, 0.0168361800000000 ] - [ -0.0181575700000000, 0.0000000000000000, -0.0008026200000000 ] - [ 0.0044783000000000, 0.0001944300000000, 0.0058564000000000 ] - [ 0.0044783000000000, -0.0001944300000000, 0.0058564000000000 ] - [ -0.0039618800000000, 0.0000000000000000, 0.0154065300000000 ] - [ -0.0032505300000000, 0.0000000000000000, 0.0040176100000000 ] - [ 0.0164206300000000, 0.0000000000000000, -0.0024073500000000 ] - [ 0.0051155800000000, 0.0000000000000000, -0.0016344100000000 ] - [ -0.0000328900000000, -0.0008458200000000, -0.0104136600000000 ] - [ -0.0000328900000000, 0.0008458200000000, -0.0104136600000000 ] - [ -0.0061046700000000, 0.0000000000000000, -0.0065119800000000 ] - [ -0.0062061000000000, 0.0000000000000000, -0.0033723900000000 ] - [ 0.0105702700000000, 0.0010494000000000, 0.0015906100000000 ] - [ 0.0105702700000000, -0.0010494000000000, 0.0015906100000000 ] - [ -0.0142629400000000, 0.0000000000000000, -0.0193879300000000 ] - [ -0.0072356100000000, 0.0000000000000000, -0.0064674600000000 ] - [ -0.0008276000000000, 0.0000763000000000, -0.0008041000000000 ] - [ -0.0008276000000000, -0.0000763000000000, -0.0008041000000000 ] - [ 0.0019218900000000, -0.0018031100000000, 0.0011385200000000 ] - [ 0.0019218900000000, 0.0018031100000000, 0.0011385200000000 ] - [ -0.0001963700000000, -0.0000985500000000, -0.0017685400000000 ] - [ -0.0001963700000000, 0.0000985500000000, -0.0017685400000000 ] - [ 0.0001528500000000, 0.0000000000000000, -0.0015276200000000 ] - [ 0.0004273400000000, 0.0000000000000000, 0.0003216400000000 ] - [ -0.0393410300000000, 0.0000000000000000, 0.0001504800000000 ] - [ -0.0065067000000000, 0.0000000000000000, 0.0007319100000000 ] - [ 0.0201354200000000, 0.0000000000000000, 0.0005049400000000 ] - [ 0.0083083500000000, 0.0000000000000000, 0.0004330000000000 ] - [ -0.0043342700000000, 0.0001179000000000, -0.0020658300000000 ] - [ -0.0043342700000000, -0.0001179000000000, -0.0020658300000000 ] - [ -0.0012887100000000, 0.0000000000000000, -0.0062268100000000 ] - [ -0.0008745900000000, 0.0000000000000000, -0.0039908200000000 ] - [ -0.0073409500000000, -0.0304815300000000, -0.0008536300000000 ] - [ -0.0073409500000000, 0.0304815300000000, -0.0008536300000000 ] - [ -0.0008952500000000, 0.0022261600000000, -0.0014292400000000 ] - [ -0.0008952500000000, -0.0022261600000000, -0.0014292400000000 ] - [ -0.0057701700000000, 0.0000000000000000, -0.0002209600000000 ] - [ -0.0051408500000000, 0.0000000000000000, -0.0001456900000000 ] - [ 0.0021833000000000, 0.0000000000000000, -0.0031960700000000 ] - [ 0.0038843100000000, 0.0000000000000000, -0.0021494300000000 ] - [ -0.0001447400000000, -0.0005049300000000, 0.0009944800000000 ] - [ -0.0001447400000000, 0.0005049300000000, 0.0009944800000000 ] - [ -0.0059120600000000, 0.0000000000000000, -0.0443634300000000 ] - [ 0.0017130300000000, 0.0000000000000000, -0.0042637800000000 ] - [ -0.0031860200000000, 0.0000071200000000, -0.0014003100000000 ] - [ -0.0031860200000000, -0.0000071200000000, -0.0014003100000000 ] - [ -0.0040953500000000, 0.0000000000000000, -0.0003511400000000 ] - [ -0.0018871300000000, 0.0000000000000000, -0.0003157000000000 ] - [ 0.4066193600000000, 0.0000000000000000, -0.0098434600000000 ] - [ 0.0220075900000000, 0.0000000000000000, 0.0000804500000000 ] - [ -0.0010453800000000, 0.0000000000000000, -0.0041336000000000 ] - [ -0.0009231000000000, 0.0000000000000000, -0.0037388000000000 ] - [ -0.0013008900000000, 0.0008406200000000, -0.0070898800000000 ] - [ -0.0013008900000000, -0.0008406200000000, -0.0070898800000000 ] - [ -0.0094719700000000, 0.0310013500000000, -0.0011004300000000 ] - [ -0.0094719700000000, -0.0310013500000000, -0.0011004300000000 ] - [ -0.0012651800000000, 0.0000024000000000, -0.0025816100000000 ] - [ -0.0012651800000000, -0.0000024000000000, -0.0025816100000000 ] - [ -0.0061489800000000, 0.0000000000000000, -0.0254870200000000 ] - [ 0.0006755200000000, 0.0000000000000000, -0.0058991700000000 ] - [ -0.0244899700000000, 0.0000000000000000, 0.0007519300000000 ] - [ 0.0052562200000000, 0.0000000000000000, 0.0017210000000000 ] - [ -0.0026811400000000, 0.0000000000000000, 0.0492441600000000 ] - [ 0.0022405200000000, 0.0000000000000000, 0.0070264500000000 ] - [ 0.0008420700000000, -0.0015992400000000, -0.0006934700000000 ] - [ 0.0008420700000000, 0.0015992400000000, -0.0006934700000000 ] - [ -0.0057831700000000, 0.0007964000000000, 0.0005162400000000 ] - [ -0.0057831700000000, -0.0007964000000000, 0.0005162400000000 ] - [ -0.0035394300000000, -0.0000705400000000, -0.0005509100000000 ] - [ -0.0035394300000000, 0.0000705400000000, -0.0005509100000000 ] - [ 0.0128783600000000, 0.0000000000000000, 0.0026891200000000 ] - [ 0.0060076000000000, 0.0000000000000000, 0.0017311800000000 ] - [ -0.0010373100000000, 0.0008048900000000, 0.0061230900000000 ] - [ -0.0010373100000000, -0.0008048900000000, 0.0061230900000000 ] - [ 0.0014992200000000, 0.0000000000000000, -0.0007612100000000 ] - [ 0.0015667100000000, 0.0000000000000000, -0.0007248700000000 ] - [ -0.0003115900000000, 0.0000000000000000, -0.0016364600000000 ] - [ -0.0001786900000000, 0.0000000000000000, -0.0007266200000000 ] - [ -0.0030417900000000, 0.0032984800000000, 0.0029312100000000 ] - [ -0.0030417900000000, -0.0032984800000000, 0.0029312100000000 ] - [ 0.0039820700000000, -0.0004218500000000, -0.0008352700000000 ] - [ 0.0039820700000000, 0.0004218500000000, -0.0008352700000000 ] - [ 0.0009393500000000, 0.0000000000000000, 0.0056514400000000 ] - [ 0.0020307200000000, 0.0000000000000000, 0.0046313300000000 ] - [ -0.0004631000000000, -0.0001308800000000, -0.0002469100000000 ] - [ -0.0004631000000000, 0.0001308800000000, -0.0002469100000000 ] - [ 0.0035016300000000, 0.0000000000000000, 0.0046718200000000 ] - [ 0.0040003200000000, 0.0000000000000000, 0.0029109600000000 ] - [ -0.0008404200000000, 0.0001028900000000, 0.0006261200000000 ] - [ -0.0008404200000000, -0.0001028900000000, 0.0006261200000000 ] - [ -0.0063888300000000, -0.0000700000000000, -0.0004901100000000 ] - [ -0.0063888300000000, 0.0000700000000000, -0.0004901100000000 ] - [ 0.0010983000000000, -0.0010735100000000, 0.0013274300000000 ] - [ 0.0010983000000000, 0.0010735100000000, 0.0013274300000000 ] - [ -0.0013550800000000, 0.0000000000000000, 0.0076507000000000 ] - [ -0.0007122900000000, 0.0000000000000000, 0.0036941700000000 ] - [ -0.0102835300000000, 0.0000000000000000, -0.0011991000000000 ] - [ -0.0075131900000000, 0.0000000000000000, -0.0010176100000000 ] - [ -0.0062751800000000, 0.0000000000000000, 0.0310549400000000 ] - [ 0.0010513200000000, 0.0000000000000000, 0.0092898100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022014300000000, -0.0000012500000000, -0.0011711000000000 ] - [ 0.0021843800000000, -0.0000015000000000, -0.0011946800000000 ] - [ -0.0032765700000000, -0.0000024900000000, -0.0000390900000000 ] - [ -0.0037476500000000, 0.0000058100000000, -0.0000730200000000 ] - [ -0.0013472900000000, 0.0003449600000000, -0.0000161000000000 ] - [ -0.0013483400000000, -0.0001701000000000, -0.0000423000000000 ] - [ 0.0021913000000000, 0.0004435100000000, -0.0011920600000000 ] - [ 0.0021912600000000, 0.0000039100000000, -0.0011791200000000 ] - [ -0.0031478800000000, 0.0071407300000000, -0.0000198900000000 ] - [ -0.0035247000000000, -0.0129362200000000, -0.0000580900000000 ] - [ -0.0013337300000000, -0.0000018200000000, -0.0000410000000000 ] - [ -0.0013512900000000, 0.0000001200000000, -0.0000249000000000 ] - [ -0.0004949700000000, -0.0000032700000000, -0.0018558100000000 ] - [ -0.0005509300000000, -0.0000015600000000, -0.0018096500000000 ] - [ -0.0016991000000000, 0.0002614700000000, -0.0009646500000000 ] - [ -0.0048760300000000, 0.0003161100000000, -0.0006281600000000 ] - [ -0.0011829900000000, 0.0000169000000000, -0.0022045700000000 ] - [ -0.0011792800000000, -0.0000191000000000, -0.0021991000000000 ] - [ -0.0039148700000000, -0.0000050800000000, 0.0019871600000000 ] - [ -0.0039088500000000, -0.0000020300000000, 0.0017511900000000 ] - [ 0.0026629000000000, 0.0246275200000000, -0.0002310900000000 ] - [ 0.0035857700000000, -0.0058315100000000, -0.0002869500000000 ] - [ -0.0008685100000000, 0.0000000400000000, 0.0027210300000000 ] - [ -0.0009106100000000, 0.0000000700000000, 0.0026698400000000 ] - [ -0.0005223900000000, 0.0002407100000000, -0.0018303800000000 ] - [ -0.0005199900000000, -0.0002000300000000, -0.0018182600000000 ] - [ -0.0033122800000000, 0.0003160500000000, -0.0007960800000000 ] - [ -0.0032621100000000, 0.0000129100000000, -0.0007980800000000 ] - [ -0.0012199800000000, 0.0000000800000000, -0.0023539400000000 ] - [ -0.0011531900000000, 0.0000054000000000, -0.0020599200000000 ] - [ -0.0039117300000000, 0.0000103200000000, 0.0018685100000000 ] - [ -0.0039085800000000, -0.0000118300000000, 0.0018647600000000 ] - [ 0.0036182700000000, -0.0000160600000000, -0.0002767600000000 ] - [ 0.0035875100000000, -0.0000072500000000, -0.0002867300000000 ] - [ -0.0008898200000000, 0.0004042000000000, 0.0026992800000000 ] - [ -0.0008907600000000, -0.0002889600000000, 0.0026857700000000 ] - [ -0.0001299400000000, 0.0000008100000000, 0.0004087400000000 ] - [ -0.0001090600000000, -0.0000002400000000, 0.0003478900000000 ] - [ 0.0050356200000000, 0.0000033600000000, 0.0014434300000000 ] - [ 0.0049157500000000, -0.0000218900000000, 0.0014618400000000 ] - [ 0.0006245400000000, 0.0000011600000000, 0.0008330400000000 ] - [ 0.0006273800000000, 0.0000004000000000, 0.0008473100000000 ] - [ 0.0006212400000000, -0.0000190000000000, 0.0009110400000000 ] - [ 0.0006215600000000, 0.0000216400000000, 0.0009131700000000 ] - [ 0.0021545900000000, 0.0004945500000000, 0.0001295900000000 ] - [ 0.0020383300000000, 0.0011979000000000, 0.0001303900000000 ] - [ 0.0001347200000000, -0.0002420600000000, -0.0000181000000000 ] - [ 0.0001356800000000, 0.0001338300000000, -0.0000142600000000 ] - [ -0.0006741800000000, -0.0000024500000000, 0.0000426900000000 ] - [ -0.0006721700000000, -0.0000030600000000, 0.0000603000000000 ] - [ -0.0000693200000000, -0.0000104100000000, -0.0000673900000000 ] - [ -0.0000715100000000, 0.0000065600000000, -0.0000756100000000 ] - [ 0.0134549100000000, 0.0117990900000000, 0.0008995000000000 ] - [ -0.0071491700000000, 0.0119225600000000, -0.0012221500000000 ] - [ -0.0004311500000000, -0.0000921600000000, 0.0001283500000000 ] - [ -0.0003070700000000, -0.0000968700000000, 0.0001401300000000 ] - [ -0.0030604700000000, -0.0000204100000000, 0.0005717700000000 ] - [ -0.0030616500000000, 0.0000223500000000, 0.0005713900000000 ] - [ 0.0039478200000000, -0.0000029600000000, -0.0013961900000000 ] - [ 0.0039516700000000, 0.0000662000000000, -0.0013941900000000 ] - [ 0.0015169100000000, 0.0000009200000000, 0.0022558100000000 ] - [ 0.0015243600000000, -0.0000009900000000, 0.0022641000000000 ] - [ 0.0001932500000000, -0.0031658300000000, 0.0005178600000000 ] - [ 0.0002110400000000, 0.0003666600000000, 0.0005668400000000 ] - [ 0.0014583900000000, 0.0000045400000000, 0.0003124100000000 ] - [ 0.0015106200000000, 0.0000043700000000, 0.0003440600000000 ] - [ 0.0002462000000000, 0.0000007000000000, 0.0000769300000000 ] - [ 0.0002442700000000, 0.0000144200000000, 0.0000759200000000 ] - [ 0.0001749800000000, -0.0330887200000000, -0.0001934400000000 ] - [ -0.0004471300000000, 0.0023504800000000, -0.0001306400000000 ] - [ 0.0000890800000000, -0.0000189200000000, -0.0023472200000000 ] - [ 0.0000890800000000, 0.0000204600000000, -0.0023476600000000 ] - [ -0.0003119800000000, -0.0000340100000000, -0.0013957900000000 ] - [ -0.0002922300000000, -0.0000374300000000, -0.0010423700000000 ] - [ -0.0126442400000000, -0.0006085300000000, -0.0003574900000000 ] - [ 0.0026690400000000, -0.0006606900000000, -0.0010997200000000 ] - [ -0.0002156200000000, 0.0000008900000000, 0.0001562700000000 ] - [ -0.0001860500000000, 0.0000001500000000, 0.0002129700000000 ] - [ -0.0001155000000000, -0.0011072500000000, 0.0003864600000000 ] - [ -0.0001203500000000, 0.0003193000000000, 0.0003621000000000 ] - [ 0.0049301500000000, -0.0003662800000000, 0.0014539200000000 ] - [ 0.0049834200000000, 0.0005401700000000, 0.0014537700000000 ] - [ 0.0006171900000000, -0.0029833300000000, 0.0008759400000000 ] - [ 0.0006278800000000, 0.0004125600000000, 0.0008411600000000 ] - [ 0.0006501300000000, -0.0000043800000000, 0.0009463400000000 ] - [ 0.0005905300000000, -0.0000088800000000, 0.0008720900000000 ] - [ 0.0012679400000000, -0.0000540500000000, 0.0002704700000000 ] - [ 0.0028688300000000, -0.0000585000000000, -0.0000135600000000 ] - [ 0.0001155700000000, 0.0000007800000000, -0.0000148500000000 ] - [ 0.0001471500000000, 0.0000004300000000, -0.0000153500000000 ] - [ -0.0006710100000000, -0.0001532600000000, 0.0000544500000000 ] - [ -0.0006753200000000, 0.0000545300000000, 0.0000496700000000 ] - [ -0.0001410100000000, -0.0000294600000000, 0.0001660100000000 ] - [ 0.0000006100000000, -0.0000328200000000, -0.0003005000000000 ] - [ 0.0032467700000000, -0.0000668800000000, -0.0001503800000000 ] - [ 0.0032467200000000, 0.0000801200000000, -0.0001504300000000 ] - [ -0.0003715800000000, -0.0000060700000000, 0.0001333100000000 ] - [ -0.0003726700000000, 0.0000064700000000, 0.0001318900000000 ] - [ -0.0031206100000000, -0.0002383300000000, 0.0005347300000000 ] - [ -0.0029955900000000, -0.0002461500000000, 0.0006079000000000 ] - [ 0.0039470400000000, 0.0000025600000000, -0.0013959600000000 ] - [ 0.0039486400000000, -0.0000015300000000, -0.0013926700000000 ] - [ 0.0015212600000000, -0.0000650600000000, 0.0022607500000000 ] - [ 0.0015220700000000, 0.0000677200000000, 0.0022614900000000 ] - [ 0.0002083400000000, 0.0000008500000000, 0.0005435500000000 ] - [ 0.0002083700000000, 0.0000000700000000, 0.0005738000000000 ] - [ 0.0014860600000000, 0.0000061800000000, 0.0003270600000000 ] - [ 0.0014847900000000, -0.0000084300000000, 0.0003285100000000 ] - [ 0.0001999200000000, 0.0000039200000000, 0.0000883400000000 ] - [ 0.0002981100000000, 0.0000035000000000, 0.0000665400000000 ] - [ -0.0005546400000000, 0.0000165100000000, -0.0001338600000000 ] - [ -0.0004271700000000, 0.0000150000000000, -0.0001284500000000 ] - [ 0.0001241900000000, -0.0000148100000000, -0.0023926300000000 ] - [ 0.0000542500000000, -0.0000207200000000, -0.0022985300000000 ] - [ -0.0003010700000000, -0.0000128700000000, -0.0012222900000000 ] - [ -0.0003029500000000, 0.0000118300000000, -0.0012117900000000 ] - [ -0.0050243200000000, -0.0000329700000000, -0.0007254300000000 ] - [ -0.0050341000000000, 0.0000322900000000, -0.0007264400000000 ] - [ -0.0001928500000000, -0.0013371800000000, 0.0001695300000000 ] - [ -0.0002016500000000, 0.0003162800000000, 0.0001957800000000 ]- atom: 69 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0037671300000000, 0.0000809700000000, 0.0002543400000000 ] - [ 0.0037671300000000, -0.0000809700000000, 0.0002543400000000 ] - [ 0.0002873800000000, -0.0000875600000000, 0.0008951000000000 ] - [ 0.0002873800000000, 0.0000875600000000, 0.0008951000000000 ] - [ -0.0067823900000000, 0.0000000000000000, 0.0043076500000000 ] - [ -0.0043153500000000, 0.0000000000000000, 0.0017234200000000 ] - [ -0.0012052300000000, 0.0000000000000000, -0.0217424100000000 ] - [ -0.0003855100000000, 0.0000000000000000, -0.0047207200000000 ] - [ -0.0053152300000000, 0.0000000000000000, 0.0027771300000000 ] - [ -0.0076142400000000, 0.0000000000000000, 0.0001419300000000 ] - [ -0.0004574900000000, 0.0000912300000000, 0.0001696500000000 ] - [ -0.0004574900000000, -0.0000912300000000, 0.0001696500000000 ] - [ 0.0006562500000000, -0.0000906500000000, -0.0019596600000000 ] - [ 0.0006562500000000, 0.0000906500000000, -0.0019596600000000 ] - [ 0.0024238600000000, -0.0060665700000000, -0.0001371000000000 ] - [ 0.0024238600000000, 0.0060665700000000, -0.0001371000000000 ] - [ 0.0002567700000000, 0.0000000000000000, 0.0004712700000000 ] - [ 0.0001072900000000, 0.0000000000000000, -0.0001866800000000 ] - [ -0.0030281900000000, -0.0000692600000000, 0.0052264800000000 ] - [ -0.0030281900000000, 0.0000692600000000, 0.0052264800000000 ] - [ -0.1537466100000000, 0.0000000000000000, 0.0211436600000000 ] - [ -0.0071076600000000, 0.0000000000000000, 0.0023305000000000 ] - [ 0.0010139500000000, 0.0000422700000000, 0.0040604600000000 ] - [ 0.0010139500000000, -0.0000422700000000, 0.0040604600000000 ] - [ -0.0043248800000000, 0.0000000000000000, 0.0024844800000000 ] - [ -0.0021613700000000, 0.0000000000000000, 0.0010695800000000 ] - [ 0.0057723800000000, 0.0000000000000000, -0.0013945700000000 ] - [ 0.0009523800000000, 0.0000000000000000, -0.0011288500000000 ] - [ 0.0010595300000000, -0.0006498300000000, -0.0074390800000000 ] - [ 0.0010595300000000, 0.0006498300000000, -0.0074390800000000 ] - [ -0.0038285300000000, 0.0000000000000000, -0.0034759400000000 ] - [ -0.0043873100000000, 0.0000000000000000, -0.0010608300000000 ] - [ 0.0067050800000000, 0.0004621600000000, 0.0002904700000000 ] - [ 0.0067050800000000, -0.0004621600000000, 0.0002904700000000 ] - [ -0.0053085400000000, 0.0000000000000000, -0.0138018700000000 ] - [ -0.0027084000000000, 0.0000000000000000, -0.0021134800000000 ] - [ -0.0004350600000000, 0.0000191500000000, 0.0003005200000000 ] - [ -0.0004350600000000, -0.0000191500000000, 0.0003005200000000 ] - [ 0.0035562400000000, -0.0007046200000000, 0.0012826600000000 ] - [ 0.0035562400000000, 0.0007046200000000, 0.0012826600000000 ] - [ 0.0002879200000000, -0.0000377800000000, -0.0001556200000000 ] - [ 0.0002879200000000, 0.0000377800000000, -0.0001556200000000 ] - [ 0.0004903100000000, 0.0000000000000000, 0.0005531300000000 ] - [ 0.0005135700000000, 0.0000000000000000, 0.0008875300000000 ] - [ -0.0161772600000000, 0.0000000000000000, 0.0023638700000000 ] - [ -0.0023300500000000, 0.0000000000000000, 0.0003948600000000 ] - [ 0.0085703500000000, 0.0000000000000000, 0.0006745500000000 ] - [ 0.0038793600000000, 0.0000000000000000, 0.0003250100000000 ] - [ -0.0019512100000000, 0.0000056300000000, -0.0006627600000000 ] - [ -0.0019512100000000, -0.0000056300000000, -0.0006627600000000 ] - [ -0.0005980700000000, 0.0000000000000000, -0.0031039300000000 ] - [ -0.0004150600000000, 0.0000000000000000, -0.0020403600000000 ] - [ -0.0016951200000000, -0.0144103000000000, -0.0034448400000000 ] - [ -0.0016951200000000, 0.0144103000000000, -0.0034448400000000 ] - [ -0.0000430100000000, 0.0000292900000000, -0.0000660400000000 ] - [ -0.0000430100000000, -0.0000292900000000, -0.0000660400000000 ] - [ -0.0039563500000000, 0.0000000000000000, 0.0002544800000000 ] - [ -0.0038110300000000, 0.0000000000000000, 0.0002829300000000 ] - [ 0.0042787100000000, 0.0000000000000000, -0.0018167100000000 ] - [ 0.0041986600000000, 0.0000000000000000, -0.0017501300000000 ] - [ 0.0009502600000000, -0.0001221800000000, 0.0017499300000000 ] - [ 0.0009502600000000, 0.0001221800000000, 0.0017499300000000 ] - [ 0.0071421800000000, 0.0000000000000000, -0.0124885400000000 ] - [ 0.0010629500000000, 0.0000000000000000, -0.0028195500000000 ] - [ -0.0000661200000000, -0.0000126600000000, -0.0003266800000000 ] - [ -0.0000661200000000, 0.0000126600000000, -0.0003266800000000 ] - [ -0.0001084200000000, 0.0000000000000000, -0.0000070600000000 ] - [ -0.0002066100000000, 0.0000000000000000, -0.0001134900000000 ] - [ 0.2144933300000000, 0.0000000000000000, -0.0360163200000000 ] - [ 0.0106084100000000, 0.0000000000000000, -0.0007493700000000 ] - [ -0.0002915000000000, 0.0000000000000000, -0.0030447700000000 ] - [ -0.0002659400000000, 0.0000000000000000, -0.0029407700000000 ] - [ -0.0006399700000000, 0.0003473300000000, -0.0048207900000000 ] - [ -0.0006399700000000, -0.0003473300000000, -0.0048207900000000 ] - [ -0.0071209800000000, 0.0160504700000000, -0.0020282200000000 ] - [ -0.0071209800000000, -0.0160504700000000, -0.0020282200000000 ] - [ -0.0006489500000000, 0.0000024200000000, -0.0010152700000000 ] - [ -0.0006489500000000, -0.0000024200000000, -0.0010152700000000 ] - [ 0.0023413300000000, 0.0000000000000000, -0.0066628100000000 ] - [ 0.0003949300000000, 0.0000000000000000, -0.0032133300000000 ] - [ -0.0114639400000000, 0.0000000000000000, 0.0022001000000000 ] - [ 0.0051773400000000, 0.0000000000000000, 0.0014788000000000 ] - [ -0.0111749500000000, 0.0000000000000000, 0.0356723900000000 ] - [ 0.0012923700000000, 0.0000000000000000, 0.0028367500000000 ] - [ 0.0008910200000000, 0.0000535100000000, 0.0004864500000000 ] - [ 0.0008910200000000, -0.0000535100000000, 0.0004864500000000 ] - [ -0.0018710700000000, 0.0004626800000000, 0.0002178800000000 ] - [ -0.0018710700000000, -0.0004626800000000, 0.0002178800000000 ] - [ -0.0012409500000000, -0.0000123500000000, -0.0001837900000000 ] - [ -0.0012409500000000, 0.0000123500000000, -0.0001837900000000 ] - [ 0.0067790100000000, 0.0000000000000000, 0.0033435500000000 ] - [ 0.0024392800000000, 0.0000000000000000, 0.0010967300000000 ] - [ -0.0007289900000000, 0.0005216000000000, 0.0030701100000000 ] - [ -0.0007289900000000, -0.0005216000000000, 0.0030701100000000 ] - [ 0.0023950600000000, 0.0000000000000000, -0.0003662400000000 ] - [ 0.0024345800000000, 0.0000000000000000, -0.0003503100000000 ] - [ -0.0003363200000000, 0.0000000000000000, -0.0001604800000000 ] - [ -0.0003401100000000, 0.0000000000000000, -0.0001122600000000 ] - [ -0.0038960200000000, 0.0029284300000000, 0.0021619000000000 ] - [ -0.0038960200000000, -0.0029284300000000, 0.0021619000000000 ] - [ 0.0038715200000000, -0.0000748100000000, -0.0009318100000000 ] - [ 0.0038715200000000, 0.0000748100000000, -0.0009318100000000 ] - [ 0.0002278700000000, 0.0000000000000000, 0.0047302700000000 ] - [ 0.0013545200000000, 0.0000000000000000, 0.0037710400000000 ] - [ -0.0000941500000000, -0.0000455400000000, 0.0004985200000000 ] - [ -0.0000941500000000, 0.0000455400000000, 0.0004985200000000 ] - [ 0.0003683900000000, 0.0000000000000000, 0.0033904000000000 ] - [ 0.0018094800000000, 0.0000000000000000, 0.0018782900000000 ] - [ -0.0009999500000000, 0.0000034600000000, 0.0006250000000000 ] - [ -0.0009999500000000, -0.0000034600000000, 0.0006250000000000 ] - [ -0.0031371000000000, -0.0000323100000000, -0.0002592400000000 ] - [ -0.0031371000000000, 0.0000323100000000, -0.0002592400000000 ] - [ 0.0002210500000000, -0.0016027900000000, 0.0002701600000000 ] - [ 0.0002210500000000, 0.0016027900000000, 0.0002701600000000 ] - [ -0.0009140600000000, 0.0000000000000000, 0.0032048500000000 ] - [ -0.0005591500000000, 0.0000000000000000, 0.0012888200000000 ] - [ -0.0074292000000000, 0.0000000000000000, -0.0008469100000000 ] - [ -0.0061956400000000, 0.0000000000000000, -0.0008234900000000 ] - [ -0.0090389600000000, 0.0000000000000000, 0.0215962900000000 ] - [ 0.0001893200000000, 0.0000000000000000, 0.0041204700000000 ]- atom: 69 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0006220100000000, -0.0000788800000000, -0.0026172900000000 ] - [ 0.0006220100000000, 0.0000788800000000, -0.0026172900000000 ] - [ -0.0073018700000000, 0.0000799600000000, -0.0010053800000000 ] - [ -0.0073018700000000, -0.0000799600000000, -0.0010053800000000 ] - [ 0.0040601800000000, 0.0000000000000000, -0.0042750600000000 ] - [ 0.0016119800000000, 0.0000000000000000, -0.0017733800000000 ] - [ 0.0056251100000000, 0.0000000000000000, 0.0194023400000000 ] - [ 0.0047736400000000, 0.0000000000000000, 0.0023271300000000 ] - [ -0.0019355300000000, 0.0000000000000000, -0.0031332700000000 ] - [ 0.0005590000000000, 0.0000000000000000, -0.0002497100000000 ] - [ -0.0022223100000000, -0.0000887900000000, -0.0002332400000000 ] - [ -0.0022223100000000, 0.0000887900000000, -0.0002332400000000 ] - [ -0.0017077400000000, 0.0000895200000000, -0.0017020000000000 ] - [ -0.0017077400000000, -0.0000895200000000, -0.0017020000000000 ] - [ -0.0089731100000000, 0.0060287700000000, -0.0014677400000000 ] - [ -0.0089731100000000, -0.0060287700000000, -0.0014677400000000 ] - [ -0.0026142400000000, 0.0000000000000000, -0.0048669300000000 ] - [ -0.0024642100000000, 0.0000000000000000, -0.0042084300000000 ] - [ -0.0047880100000000, 0.0000664700000000, -0.0014792300000000 ] - [ -0.0047880100000000, -0.0000664700000000, -0.0014792300000000 ] - [ 0.1659415200000000, 0.0000000000000000, -0.0204591400000000 ] - [ 0.0143307200000000, 0.0000000000000000, -0.0029070300000000 ] - [ -0.0027881900000000, -0.0000415200000000, 0.0013303500000000 ] - [ -0.0027881900000000, 0.0000415200000000, 0.0013303500000000 ] - [ 0.0032778700000000, 0.0000000000000000, -0.0061502500000000 ] - [ 0.0011164100000000, 0.0000000000000000, -0.0047255800000000 ] - [ -0.0123288800000000, 0.0000000000000000, -0.0001936800000000 ] - [ -0.0075066200000000, 0.0000000000000000, -0.0004602000000000 ] - [ -0.0034430300000000, 0.0006587800000000, 0.0030131600000000 ] - [ -0.0034430300000000, -0.0006587800000000, 0.0030131600000000 ] - [ -0.0039765400000000, 0.0000000000000000, 0.0072143000000000 ] - [ -0.0034284000000000, 0.0000000000000000, 0.0047923700000000 ] - [ 0.0005064300000000, -0.0004666100000000, -0.0008515600000000 ] - [ 0.0005064300000000, 0.0004666100000000, -0.0008515600000000 ] - [ 0.0034374300000000, 0.0000000000000000, 0.0191384900000000 ] - [ 0.0009111200000000, 0.0000000000000000, 0.0075026200000000 ] - [ 0.0001949800000000, -0.0000186500000000, 0.0004597500000000 ] - [ 0.0001949800000000, 0.0000186500000000, 0.0004597500000000 ] - [ 0.0063918900000000, 0.0007093600000000, 0.0016213500000000 ] - [ 0.0063918900000000, -0.0007093600000000, 0.0016213500000000 ] - [ 0.0009631900000000, 0.0000375800000000, 0.0018260700000000 ] - [ 0.0009631900000000, -0.0000375800000000, 0.0018260700000000 ] - [ 0.0007517100000000, 0.0000000000000000, 0.0012650200000000 ] - [ 0.0007282000000000, 0.0000000000000000, 0.0009305000000000 ] - [ 0.0203244300000000, 0.0000000000000000, -0.0020956100000000 ] - [ 0.0064569500000000, 0.0000000000000000, -0.0001350000000000 ] - [ -0.0082144600000000, 0.0000000000000000, -0.0007521000000000 ] - [ -0.0035863100000000, 0.0000000000000000, -0.0003561900000000 ] - [ 0.0006058200000000, -0.0000053000000000, 0.0007649600000000 ] - [ 0.0006058200000000, 0.0000053000000000, 0.0007649600000000 ] - [ 0.0004602900000000, 0.0000000000000000, 0.0029516800000000 ] - [ 0.0002760400000000, 0.0000000000000000, 0.0018903700000000 ] - [ 0.0082112200000000, 0.0143283800000000, 0.0031158700000000 ] - [ 0.0082112200000000, -0.0143283800000000, 0.0031158700000000 ] - [ -0.0006980600000000, -0.0000273200000000, 0.0003292400000000 ] - [ -0.0006980600000000, 0.0000273200000000, 0.0003292400000000 ] - [ -0.0021692500000000, 0.0000000000000000, 0.0008832800000000 ] - [ -0.0023128100000000, 0.0000000000000000, 0.0008545000000000 ] - [ 0.0036121700000000, 0.0000000000000000, -0.0009792000000000 ] - [ 0.0036960600000000, 0.0000000000000000, -0.0010405800000000 ] - [ 0.0020859900000000, 0.0001209700000000, 0.0027687800000000 ] - [ 0.0020859900000000, -0.0001209700000000, 0.0027687800000000 ] - [ -0.0068094400000000, 0.0000000000000000, 0.0135112500000000 ] - [ -0.0006453700000000, 0.0000000000000000, 0.0039254800000000 ] - [ 0.0030287600000000, 0.0000126900000000, 0.0009796500000000 ] - [ 0.0030287600000000, -0.0000126900000000, 0.0009796500000000 ] - [ 0.0005915300000000, 0.0000000000000000, 0.0001660300000000 ] - [ 0.0006964800000000, 0.0000000000000000, 0.0002684600000000 ] - [ -0.2201494900000000, 0.0000000000000000, 0.0349861900000000 ] - [ -0.0115881900000000, 0.0000000000000000, 0.0004858100000000 ] - [ 0.0004695500000000, 0.0000000000000000, -0.0016529100000000 ] - [ 0.0004444000000000, 0.0000000000000000, -0.0017555000000000 ] - [ 0.0000361300000000, -0.0003446300000000, 0.0023803300000000 ] - [ 0.0000361300000000, 0.0003446300000000, 0.0023803300000000 ] - [ -0.0029693200000000, -0.0160573400000000, 0.0005733000000000 ] - [ -0.0029693200000000, 0.0160573400000000, 0.0005733000000000 ] - [ 0.0002483400000000, -0.0000025700000000, 0.0013795700000000 ] - [ 0.0002483400000000, 0.0000025700000000, 0.0013795700000000 ] - [ -0.0025620700000000, 0.0000000000000000, 0.0073749400000000 ] - [ -0.0006316200000000, 0.0000000000000000, 0.0039586500000000 ] - [ 0.0214013600000000, 0.0000000000000000, 0.0006712600000000 ] - [ 0.0047748200000000, 0.0000000000000000, 0.0014286600000000 ] - [ 0.0126467500000000, 0.0000000000000000, -0.0343151300000000 ] - [ -0.0000437300000000, 0.0000000000000000, -0.0011207600000000 ] - [ 0.0003474600000000, -0.0000557400000000, 0.0013298000000000 ] - [ 0.0003474600000000, 0.0000557400000000, 0.0013298000000000 ] - [ 0.0059999400000000, -0.0004584500000000, 0.0000440400000000 ] - [ 0.0059999400000000, 0.0004584500000000, 0.0000440400000000 ] - [ 0.0015037900000000, 0.0000119700000000, 0.0001536100000000 ] - [ 0.0015037900000000, -0.0000119700000000, 0.0001536100000000 ] - [ -0.0081538400000000, 0.0000000000000000, -0.0032127900000000 ] - [ -0.0037878100000000, 0.0000000000000000, -0.0009894300000000 ] - [ 0.0005894200000000, -0.0005213900000000, -0.0031880000000000 ] - [ 0.0005894200000000, 0.0005213900000000, -0.0031880000000000 ] - [ 0.0040933800000000, 0.0000000000000000, 0.0000669800000000 ] - [ 0.0040540300000000, 0.0000000000000000, 0.0000509200000000 ] - [ -0.0004162100000000, 0.0000000000000000, 0.0004252400000000 ] - [ -0.0004081900000000, 0.0000000000000000, 0.0003780800000000 ] - [ -0.0022196800000000, -0.0029436900000000, -0.0010211900000000 ] - [ -0.0022196800000000, 0.0029436900000000, -0.0010211900000000 ] - [ 0.0040163400000000, 0.0000703900000000, -0.0018568300000000 ] - [ 0.0040163400000000, -0.0000703900000000, -0.0018568300000000 ] - [ 0.0028240600000000, 0.0000000000000000, -0.0002032200000000 ] - [ 0.0016869000000000, 0.0000000000000000, 0.0007525100000000 ] - [ 0.0005094600000000, 0.0000453400000000, 0.0006234000000000 ] - [ 0.0005094600000000, -0.0000453400000000, 0.0006234000000000 ] - [ 0.0025793400000000, 0.0000000000000000, -0.0027377800000000 ] - [ 0.0011589500000000, 0.0000000000000000, -0.0012215500000000 ] - [ 0.0015055700000000, -0.0000041400000000, -0.0004679100000000 ] - [ 0.0015055700000000, 0.0000041400000000, -0.0004679100000000 ] - [ 0.0021400800000000, 0.0000332500000000, -0.0000043200000000 ] - [ 0.0021400800000000, -0.0000332500000000, -0.0000043200000000 ] - [ -0.0000379700000000, 0.0015857500000000, -0.0049571900000000 ] - [ -0.0000379700000000, -0.0015857500000000, -0.0049571900000000 ] - [ 0.0003092700000000, 0.0000000000000000, -0.0056374200000000 ] - [ -0.0000444200000000, 0.0000000000000000, -0.0037198500000000 ] - [ -0.0026289800000000, 0.0000000000000000, -0.0006047200000000 ] - [ -0.0038699400000000, 0.0000000000000000, -0.0006293300000000 ] - [ 0.0084684100000000, 0.0000000000000000, -0.0209755800000000 ] - [ -0.0005885900000000, 0.0000000000000000, -0.0037484800000000 ]- atom: 71 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0031121300000000, -0.0022370200000000, 0.0028458600000000 ] - [ 0.0031121300000000, 0.0022370200000000, 0.0028458600000000 ] - [ -0.0021903400000000, -0.0000044000000000, 0.0007659300000000 ] - [ -0.0021903400000000, 0.0000044000000000, 0.0007659300000000 ] - [ -0.0033876400000000, 0.0000000000000000, -0.0004241600000000 ] - [ -0.0033285800000000, 0.0000000000000000, -0.0004251700000000 ] - [ 0.0009155400000000, 0.0000000000000000, -0.0022109100000000 ] - [ 0.0010827200000000, 0.0000000000000000, -0.0021142600000000 ] - [ -0.0045927200000000, 0.0000000000000000, -0.0014001100000000 ] - [ -0.0043671800000000, 0.0000000000000000, -0.0009572000000000 ] - [ -0.0067374500000000, 0.0000491900000000, 0.0016063100000000 ] - [ -0.0067374500000000, -0.0000491900000000, 0.0016063100000000 ] - [ -0.0016877100000000, -0.0000122200000000, -0.0010868100000000 ] - [ -0.0016877100000000, 0.0000122200000000, -0.0010868100000000 ] - [ -0.0035452700000000, -0.0000452700000000, -0.0030770600000000 ] - [ -0.0035452700000000, 0.0000452700000000, -0.0030770600000000 ] - [ 0.0106525100000000, 0.0000000000000000, -0.0038752000000000 ] - [ 0.0016754300000000, 0.0000000000000000, -0.0021049800000000 ] - [ -0.0096705000000000, -0.0003097100000000, 0.0002620400000000 ] - [ -0.0096705000000000, 0.0003097100000000, 0.0002620400000000 ] - [ 0.0022972000000000, 0.0000000000000000, -0.0015979600000000 ] - [ 0.0024066400000000, 0.0000000000000000, -0.0015441700000000 ] - [ 0.0107572000000000, -0.0027941500000000, 0.0051498400000000 ] - [ 0.0107572000000000, 0.0027941500000000, 0.0051498400000000 ] - [ -0.0043523900000000, 0.0000000000000000, -0.0030243300000000 ] - [ -0.0010318300000000, 0.0000000000000000, -0.0031241100000000 ] - [ -0.0029759800000000, 0.0000000000000000, -0.0020530600000000 ] - [ -0.0033019400000000, 0.0000000000000000, -0.0001544000000000 ] - [ -0.0022492200000000, 0.0000194300000000, -0.0027470600000000 ] - [ -0.0022492200000000, -0.0000194300000000, -0.0027470600000000 ] - [ -0.0059745000000000, 0.0000000000000000, 0.0013972400000000 ] - [ -0.0058753200000000, 0.0000000000000000, 0.0016045700000000 ] - [ 0.0046873000000000, 0.0001372100000000, 0.0037766300000000 ] - [ 0.0046873000000000, -0.0001372100000000, 0.0037766300000000 ] - [ -0.0026789300000000, 0.0000000000000000, 0.0022255700000000 ] - [ -0.0025866100000000, 0.0000000000000000, 0.0022673600000000 ] - [ -0.0001357700000000, 0.0000080500000000, -0.0002220000000000 ] - [ -0.0001357700000000, -0.0000080500000000, -0.0002220000000000 ] - [ 0.0047415200000000, -0.0003751900000000, 0.0013565300000000 ] - [ 0.0047415200000000, 0.0003751900000000, 0.0013565300000000 ] - [ 0.0004610100000000, 0.0002508900000000, -0.0025026300000000 ] - [ 0.0004610100000000, -0.0002508900000000, -0.0025026300000000 ] - [ 0.0009079900000000, 0.0000000000000000, 0.0007776300000000 ] - [ 0.0008974400000000, 0.0000000000000000, 0.0007669300000000 ] - [ 0.0026272400000000, 0.0000000000000000, 0.0002782500000000 ] - [ 0.0023687500000000, 0.0000000000000000, 0.0001417700000000 ] - [ 0.0017655300000000, 0.0000000000000000, 0.0000200800000000 ] - [ 0.0017237000000000, 0.0000000000000000, 0.0000171800000000 ] - [ -0.0002108600000000, 0.0000354000000000, -0.0009521200000000 ] - [ -0.0002108600000000, -0.0000354000000000, -0.0009521200000000 ] - [ 0.0000127700000000, 0.0000000000000000, 0.0054531700000000 ] - [ -0.0003224600000000, 0.0000000000000000, -0.0005291800000000 ] - [ 0.0034469400000000, -0.0001103700000000, 0.0000955900000000 ] - [ 0.0034469400000000, 0.0001103700000000, 0.0000955900000000 ] - [ 0.0006687900000000, 0.0000444600000000, -0.0000476900000000 ] - [ 0.0006687900000000, -0.0000444600000000, -0.0000476900000000 ] - [ 0.0007311300000000, 0.0000000000000000, -0.0065763900000000 ] - [ -0.0043123600000000, 0.0000000000000000, -0.0004133300000000 ] - [ 0.0053417800000000, 0.0000000000000000, -0.0015034000000000 ] - [ 0.0053150700000000, 0.0000000000000000, -0.0014476100000000 ] - [ -0.0019918000000000, -0.0003697500000000, 0.0016053200000000 ] - [ -0.0019918000000000, 0.0003697500000000, 0.0016053200000000 ] - [ 0.0005291800000000, 0.0000000000000000, 0.0015123600000000 ] - [ 0.0005137500000000, 0.0000000000000000, 0.0014916800000000 ] - [ 0.0110042400000000, 0.0084564200000000, -0.0001835400000000 ] - [ 0.0110042400000000, -0.0084564200000000, -0.0001835400000000 ] - [ 0.0041830600000000, 0.0000000000000000, 0.0052333900000000 ] - [ -0.0009758000000000, 0.0000000000000000, 0.0004881500000000 ] - [ 0.0006357900000000, 0.0000000000000000, 0.0000810300000000 ] - [ 0.0005146300000000, 0.0000000000000000, 0.0000406100000000 ] - [ -0.0557597900000000, 0.0000000000000000, 0.0005779700000000 ] - [ 0.0020605800000000, 0.0000000000000000, -0.0026729300000000 ] - [ -0.0001064900000000, 0.0001052200000000, 0.0012330100000000 ] - [ -0.0001064900000000, -0.0001052200000000, 0.0012330100000000 ] - [ -0.0046608300000000, -0.0000196300000000, -0.0004839900000000 ] - [ -0.0046608300000000, 0.0000196300000000, -0.0004839900000000 ] - [ -0.0014584300000000, 0.0009162300000000, -0.0006886900000000 ] - [ -0.0014584300000000, -0.0009162300000000, -0.0006886900000000 ] - [ 0.0004015200000000, 0.0000000000000000, 0.0018162000000000 ] - [ -0.0000023400000000, 0.0000000000000000, 0.0011983000000000 ] - [ 0.0053646100000000, 0.0000000000000000, 0.0017944300000000 ] - [ 0.0053366700000000, 0.0000000000000000, 0.0017835600000000 ] - [ 0.0007998800000000, 0.0000000000000000, 0.0017698700000000 ] - [ 0.0007836600000000, 0.0000000000000000, 0.0017198400000000 ] - [ 0.0010373400000000, -0.0005793800000000, 0.0013073500000000 ] - [ 0.0010373400000000, 0.0005793800000000, 0.0013073500000000 ] - [ 0.0014460200000000, 0.0000397000000000, 0.0003259800000000 ] - [ 0.0014460200000000, -0.0000397000000000, 0.0003259800000000 ] - [ 0.0087558300000000, -0.0116537200000000, -0.0031240700000000 ] - [ 0.0087558300000000, 0.0116537200000000, -0.0031240700000000 ] - [ 0.0008945000000000, 0.0000000000000000, 0.0003913500000000 ] - [ 0.0004741800000000, 0.0000000000000000, 0.0004578200000000 ] - [ 0.0000801400000000, -0.0000014100000000, 0.0006925900000000 ] - [ 0.0000801400000000, 0.0000014100000000, 0.0006925900000000 ] - [ 0.0029124600000000, 0.0000000000000000, -0.0003570600000000 ] - [ 0.0030797600000000, 0.0000000000000000, -0.0003524300000000 ] - [ 0.0011982400000000, 0.0000000000000000, 0.0003388500000000 ] - [ 0.0008792900000000, 0.0000000000000000, 0.0006403400000000 ] - [ -0.0025303600000000, -0.0000413900000000, 0.0007104900000000 ] - [ -0.0025303600000000, 0.0000413900000000, 0.0007104900000000 ] - [ 0.0046311800000000, -0.0001263200000000, -0.0013844100000000 ] - [ 0.0046311800000000, 0.0001263200000000, -0.0013844100000000 ] - [ 0.0019357500000000, 0.0000000000000000, 0.0024247000000000 ] - [ 0.0019055200000000, 0.0000000000000000, 0.0024129200000000 ] - [ 0.0004204500000000, 0.0000411000000000, -0.0025814100000000 ] - [ 0.0004204500000000, -0.0000411000000000, -0.0025814100000000 ] - [ 0.0029574700000000, 0.0000000000000000, 0.0006979100000000 ] - [ 0.0027931600000000, 0.0000000000000000, 0.0006444800000000 ] - [ 0.0010823700000000, -0.0000028800000000, 0.0000719500000000 ] - [ 0.0010823700000000, 0.0000028800000000, 0.0000719500000000 ] - [ -0.0015010200000000, -0.0000360600000000, -0.0005659900000000 ] - [ -0.0015010200000000, 0.0000360600000000, -0.0005659900000000 ] - [ 0.0003990700000000, -0.0000210200000000, -0.0021837800000000 ] - [ 0.0003990700000000, 0.0000210200000000, -0.0021837800000000 ] - [ -0.0002498200000000, 0.0000000000000000, -0.0009162100000000 ] - [ -0.0001610600000000, 0.0000000000000000, -0.0016099200000000 ] - [ -0.0054702000000000, 0.0000000000000000, -0.0012566500000000 ] - [ -0.0052903400000000, 0.0000000000000000, -0.0013051400000000 ] - [ 0.0000184700000000, 0.0000000000000000, 0.0008054600000000 ] - [ -0.0000067600000000, 0.0000000000000000, 0.0007309500000000 ]- atom: 71 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0012464900000000, 0.0022589800000000, -0.0052213500000000 ] - [ 0.0012464900000000, -0.0022589800000000, -0.0052213500000000 ] - [ -0.0048349100000000, 0.0000039100000000, -0.0009243500000000 ] - [ -0.0048349100000000, -0.0000039100000000, -0.0009243500000000 ] - [ 0.0007088100000000, 0.0000000000000000, 0.0003602900000000 ] - [ 0.0006518800000000, 0.0000000000000000, 0.0003512700000000 ] - [ 0.0034662400000000, 0.0000000000000000, -0.0001437600000000 ] - [ 0.0033024900000000, 0.0000000000000000, -0.0002490600000000 ] - [ -0.0024304800000000, 0.0000000000000000, 0.0012797900000000 ] - [ -0.0026581200000000, 0.0000000000000000, 0.0008442400000000 ] - [ 0.0040382900000000, -0.0000562900000000, -0.0016708100000000 ] - [ 0.0040382900000000, 0.0000562900000000, -0.0016708100000000 ] - [ 0.0006396000000000, 0.0000127000000000, -0.0025837800000000 ] - [ 0.0006396000000000, -0.0000127000000000, -0.0025837800000000 ] - [ -0.0030327600000000, 0.0000425100000000, 0.0014934000000000 ] - [ -0.0030327600000000, -0.0000425100000000, 0.0014934000000000 ] - [ -0.0130519700000000, 0.0000000000000000, -0.0006382900000000 ] - [ -0.0040193200000000, 0.0000000000000000, -0.0022476700000000 ] - [ 0.0018678000000000, 0.0003086600000000, 0.0034696400000000 ] - [ 0.0018678000000000, -0.0003086600000000, 0.0034696400000000 ] - [ 0.0049062200000000, 0.0000000000000000, 0.0010337000000000 ] - [ 0.0048021100000000, 0.0000000000000000, 0.0009785300000000 ] - [ -0.0125694700000000, 0.0035412300000000, 0.0004839800000000 ] - [ -0.0125694700000000, -0.0035412300000000, 0.0004839800000000 ] - [ 0.0032659500000000, 0.0000000000000000, -0.0006329800000000 ] - [ -0.0000030000000000, 0.0000000000000000, -0.0005342600000000 ] - [ -0.0035788700000000, 0.0000000000000000, 0.0004912700000000 ] - [ -0.0032591700000000, 0.0000000000000000, -0.0014194700000000 ] - [ -0.0001143600000000, -0.0000203100000000, -0.0016492700000000 ] - [ -0.0001143600000000, 0.0000203100000000, -0.0016492700000000 ] - [ -0.0018437700000000, 0.0000000000000000, 0.0023350800000000 ] - [ -0.0019469700000000, 0.0000000000000000, 0.0021259700000000 ] - [ 0.0025160900000000, -0.0001395400000000, -0.0043363100000000 ] - [ 0.0025160900000000, 0.0001395400000000, -0.0043363100000000 ] - [ 0.0008974300000000, 0.0000000000000000, 0.0031717700000000 ] - [ 0.0007991900000000, 0.0000000000000000, 0.0031259300000000 ] - [ -0.0001056400000000, -0.0000085700000000, 0.0009961500000000 ] - [ -0.0001056400000000, 0.0000085700000000, 0.0009961500000000 ] - [ 0.0052091300000000, 0.0003765300000000, 0.0015467000000000 ] - [ 0.0052091300000000, -0.0003765300000000, 0.0015467000000000 ] - [ 0.0007921000000000, -0.0002539200000000, 0.0041812800000000 ] - [ 0.0007921000000000, 0.0002539200000000, 0.0041812800000000 ] - [ 0.0003307000000000, 0.0000000000000000, 0.0010457200000000 ] - [ 0.0003403800000000, 0.0000000000000000, 0.0010561400000000 ] - [ 0.0015031100000000, 0.0000000000000000, -0.0000183600000000 ] - [ 0.0017614700000000, 0.0000000000000000, 0.0001168000000000 ] - [ -0.0015121900000000, 0.0000000000000000, -0.0000506100000000 ] - [ -0.0014585100000000, 0.0000000000000000, -0.0000473700000000 ] - [ -0.0011320400000000, -0.0000346900000000, 0.0010677500000000 ] - [ -0.0011320400000000, 0.0000346900000000, 0.0010677500000000 ] - [ -0.0001365100000000, 0.0000000000000000, -0.0056693100000000 ] - [ 0.0001891200000000, 0.0000000000000000, 0.0003572600000000 ] - [ 0.0030535000000000, 0.0001237700000000, -0.0003946000000000 ] - [ 0.0030535000000000, -0.0001237700000000, -0.0003946000000000 ] - [ -0.0014142100000000, -0.0000447300000000, 0.0003191300000000 ] - [ -0.0014142100000000, 0.0000447300000000, 0.0003191300000000 ] - [ -0.0069239400000000, 0.0000000000000000, 0.0078225100000000 ] - [ -0.0017916600000000, 0.0000000000000000, 0.0015544600000000 ] - [ 0.0025587700000000, 0.0000000000000000, -0.0012814000000000 ] - [ 0.0025714900000000, 0.0000000000000000, -0.0013418000000000 ] - [ 0.0050387100000000, 0.0004175300000000, 0.0028581900000000 ] - [ 0.0050387100000000, -0.0004175300000000, 0.0028581900000000 ] - [ -0.0001139500000000, 0.0000000000000000, -0.0004056600000000 ] - [ -0.0001009800000000, 0.0000000000000000, -0.0003645500000000 ] - [ -0.0081400000000000, -0.0085952100000000, 0.0008474800000000 ] - [ -0.0081400000000000, 0.0085952100000000, 0.0008474800000000 ] - [ -0.0036049300000000, 0.0000000000000000, -0.0049671400000000 ] - [ 0.0014426800000000, 0.0000000000000000, -0.0003286300000000 ] - [ -0.0016224200000000, 0.0000000000000000, -0.0003484700000000 ] - [ -0.0014989000000000, 0.0000000000000000, -0.0003064600000000 ] - [ 0.0560612700000000, 0.0000000000000000, -0.0056896300000000 ] - [ -0.0018844400000000, 0.0000000000000000, -0.0021276600000000 ] - [ -0.0004921100000000, -0.0001065100000000, -0.0036750200000000 ] - [ -0.0004921100000000, 0.0001065100000000, -0.0036750200000000 ] - [ -0.0054049600000000, 0.0000187600000000, -0.0009710300000000 ] - [ -0.0054049600000000, -0.0000187600000000, -0.0009710300000000 ] - [ 0.0010711300000000, -0.0009273300000000, 0.0011178400000000 ] - [ 0.0010711300000000, 0.0009273300000000, 0.0011178400000000 ] - [ -0.0006376300000000, 0.0000000000000000, -0.0010447200000000 ] - [ -0.0002420100000000, 0.0000000000000000, -0.0004466600000000 ] - [ 0.0045851900000000, 0.0000000000000000, 0.0011102700000000 ] - [ 0.0046145400000000, 0.0000000000000000, 0.0011226100000000 ] - [ 0.0004486300000000, 0.0000000000000000, -0.0000956300000000 ] - [ 0.0004659800000000, 0.0000000000000000, -0.0000313500000000 ] - [ 0.0002002500000000, 0.0005713700000000, 0.0005099900000000 ] - [ 0.0002002500000000, -0.0005713700000000, 0.0005099900000000 ] - [ 0.0027117100000000, -0.0000414600000000, -0.0000659700000000 ] - [ 0.0027117100000000, 0.0000414600000000, -0.0000659700000000 ] - [ -0.0083819300000000, 0.0114714100000000, 0.0030566900000000 ] - [ -0.0083819300000000, -0.0114714100000000, 0.0030566900000000 ] - [ -0.0022357400000000, 0.0000000000000000, -0.0002854900000000 ] - [ -0.0018278100000000, 0.0000000000000000, -0.0003516300000000 ] - [ -0.0002152600000000, 0.0000012100000000, -0.0008383100000000 ] - [ -0.0002152600000000, -0.0000012100000000, -0.0008383100000000 ] - [ 0.0035899700000000, 0.0000000000000000, 0.0000703100000000 ] - [ 0.0034201000000000, 0.0000000000000000, 0.0000695800000000 ] - [ -0.0019651600000000, 0.0000000000000000, -0.0000722600000000 ] - [ -0.0016218300000000, 0.0000000000000000, -0.0003698900000000 ] - [ -0.0035867100000000, 0.0000431700000000, 0.0004286500000000 ] - [ -0.0035867100000000, -0.0000431700000000, 0.0004286500000000 ] - [ 0.0032615000000000, 0.0001263900000000, -0.0014077900000000 ] - [ 0.0032615000000000, -0.0001263900000000, -0.0014077900000000 ] - [ 0.0011045700000000, 0.0000000000000000, 0.0020948400000000 ] - [ 0.0011337800000000, 0.0000000000000000, 0.0021071600000000 ] - [ -0.0000080300000000, -0.0000400700000000, 0.0037018900000000 ] - [ -0.0000080300000000, 0.0000400700000000, 0.0037018900000000 ] - [ 0.0000139800000000, 0.0000000000000000, -0.0000482900000000 ] - [ 0.0001776400000000, 0.0000000000000000, 0.0000078100000000 ] - [ -0.0005879800000000, 0.0000028600000000, 0.0000888500000000 ] - [ -0.0005879800000000, -0.0000028600000000, 0.0000888500000000 ] - [ 0.0005055000000000, 0.0000347600000000, 0.0003021700000000 ] - [ 0.0005055000000000, -0.0000347600000000, 0.0003021700000000 ] - [ -0.0002211700000000, 0.0000205200000000, -0.0025119000000000 ] - [ -0.0002211700000000, -0.0000205200000000, -0.0025119000000000 ] - [ -0.0003494700000000, 0.0000000000000000, -0.0015226600000000 ] - [ -0.0004378700000000, 0.0000000000000000, -0.0008274500000000 ] - [ -0.0045905900000000, 0.0000000000000000, -0.0001991700000000 ] - [ -0.0047721900000000, 0.0000000000000000, -0.0001498700000000 ] - [ -0.0004205400000000, 0.0000000000000000, -0.0004474700000000 ] - [ -0.0003932500000000, 0.0000000000000000, -0.0003668100000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002977500000000, -0.0002076600000000, 0.0022331900000000 ] - [ 0.0045990800000000, -0.0000737000000000, -0.0045723000000000 ] - [ -0.0028495500000000, -0.0000718800000000, -0.0131987800000000 ] - [ -0.0042169900000000, -0.0000562400000000, 0.0133237200000000 ] - [ -0.0013410300000000, 0.0011759000000000, -0.0000286200000000 ] - [ -0.0013399900000000, -0.0011898900000000, -0.0000345800000000 ] - [ 0.0022040500000000, 0.0001546100000000, -0.0011723200000000 ] - [ 0.0021993500000000, -0.0001521100000000, -0.0011792200000000 ] - [ -0.0034912900000000, 0.0000404000000000, -0.0000391500000000 ] - [ -0.0035056300000000, -0.0000438700000000, -0.0000511900000000 ] - [ 0.0194165700000000, 0.0004435900000000, -0.0016922100000000 ] - [ -0.0222599900000000, 0.0004757600000000, 0.0016268200000000 ] - [ -0.0015320600000000, 0.0000085500000000, -0.0019194100000000 ] - [ 0.0004614000000000, 0.0000091600000000, -0.0017040800000000 ] - [ -0.0053303900000000, 0.0000029000000000, -0.0027016600000000 ] - [ -0.0011764000000000, 0.0000077200000000, 0.0011071800000000 ] - [ -0.0012045900000000, 0.0149850600000000, -0.0017097500000000 ] - [ -0.0011646100000000, -0.0137530000000000, -0.0022342300000000 ] - [ -0.0158486700000000, -0.0000563100000000, -0.0008327200000000 ] - [ 0.0080110500000000, -0.0000361200000000, 0.0045189600000000 ] - [ 0.0036196300000000, 0.0004200200000000, -0.0002801000000000 ] - [ 0.0036199300000000, -0.0004220900000000, -0.0002818800000000 ] - [ 0.0002239300000000, 0.0471366500000000, 0.0334238500000000 ] - [ -0.0020796200000000, 0.0535440900000000, -0.0299854500000000 ] - [ -0.0004213500000000, 0.0017234700000000, -0.0018483700000000 ] - [ -0.0005130800000000, -0.0018809100000000, -0.0018437200000000 ] - [ -0.0032895000000000, 0.0008631200000000, -0.0006851000000000 ] - [ -0.0032867400000000, -0.0008800400000000, -0.0007786400000000 ] - [ -0.0014045300000000, 0.0000029600000000, -0.0025949100000000 ] - [ -0.0009511300000000, 0.0000055000000000, -0.0017857100000000 ] - [ -0.0039199400000000, 0.0017651100000000, 0.0018765600000000 ] - [ -0.0039240900000000, -0.0017854700000000, 0.0018705600000000 ] - [ 0.0053988600000000, 0.0000136000000000, -0.0036424400000000 ] - [ 0.0017194700000000, 0.0000295400000000, 0.0031896800000000 ] - [ -0.0008841300000000, 0.0000889200000000, 0.0027061300000000 ] - [ -0.0008878100000000, -0.0000984700000000, 0.0027031700000000 ] - [ -0.0000678500000000, -0.0000058000000000, 0.0014888700000000 ] - [ -0.0001686300000000, -0.0000087700000000, -0.0007964400000000 ] - [ 0.0044152300000000, 0.0001230900000000, 0.0015584400000000 ] - [ 0.0055610900000000, 0.0000875100000000, 0.0013274700000000 ] - [ 0.0006017600000000, 0.0000315300000000, 0.0006148300000000 ] - [ 0.0006641600000000, 0.0000150000000000, 0.0009733200000000 ] - [ 0.0006223000000000, -0.0006854200000000, 0.0009100900000000 ] - [ 0.0006218300000000, 0.0006900000000000, 0.0009099400000000 ] - [ 0.0020477300000000, -0.0000221200000000, 0.0001195300000000 ] - [ 0.0020652300000000, 0.0000257700000000, 0.0001271900000000 ] - [ 0.0001235600000000, -0.0000927600000000, -0.0000162500000000 ] - [ 0.0001295900000000, 0.0000994200000000, -0.0000158500000000 ] - [ 0.0009361400000000, -0.0000681400000000, -0.0005867300000000 ] - [ -0.0022312700000000, -0.0000736100000000, 0.0007118600000000 ] - [ -0.0000402800000000, 0.0006015900000000, -0.0003268200000000 ] - [ -0.0000703400000000, 0.0011969600000000, -0.0000642300000000 ] - [ 0.0032402500000000, 0.0000124100000000, -0.0001586800000000 ] - [ 0.0032445900000000, -0.0000077200000000, -0.0001455200000000 ] - [ 0.0010265200000000, 0.0000492100000000, 0.0000324600000000 ] - [ -0.0017698000000000, 0.0000479700000000, 0.0002345000000000 ] - [ -0.0029456400000000, -0.0035137000000000, 0.0004854900000000 ] - [ -0.0030610900000000, 0.0038001100000000, 0.0005671200000000 ] - [ 0.0039590400000000, -0.0055064200000000, -0.0013889000000000 ] - [ 0.0039517300000000, 0.0057613100000000, -0.0013908800000000 ] - [ 0.0025155200000000, 0.0162680400000000, -0.0138180000000000 ] - [ 0.0005152800000000, 0.0162878900000000, 0.0185565900000000 ] - [ 0.0002080700000000, -0.0001583000000000, 0.0005524000000000 ] - [ 0.0002071200000000, 0.0001605100000000, 0.0005616100000000 ] - [ 0.0245223500000000, 0.0088932800000000, -0.0017994100000000 ] - [ -0.0217359000000000, 0.0088733700000000, 0.0025148100000000 ] - [ 0.0001084600000000, -0.0018245700000000, 0.0000260300000000 ] - [ 0.0002409000000000, 0.0012260900000000, 0.0000858600000000 ] - [ -0.0005074800000000, -0.0000170600000000, -0.0001337400000000 ] - [ -0.0005041400000000, 0.0000191000000000, -0.0001318600000000 ] - [ -0.0000169800000000, -0.2447636900000000, -0.0004442800000000 ] - [ 0.0000971400000000, 0.0671705100000000, -0.0022255000000000 ] - [ 0.0002792100000000, 0.0000564600000000, 0.0010077600000000 ] - [ -0.0008842200000000, 0.0000528200000000, -0.0034140300000000 ] - [ -0.0046694300000000, 0.0000019600000000, -0.0006403500000000 ] - [ -0.0054073200000000, 0.0000004800000000, -0.0008124500000000 ] - [ 0.0025946100000000, -0.0014820200000000, 0.0281263500000000 ] - [ -0.0030694600000000, -0.0016101100000000, -0.0284177300000000 ] - [ -0.0001310500000000, -0.0000558400000000, 0.0003641500000000 ] - [ -0.0001212300000000, 0.0000809900000000, 0.0003782200000000 ] - [ 0.0049700300000000, -0.0012095700000000, 0.0014521800000000 ] - [ 0.0049704700000000, 0.0012037000000000, 0.0014524500000000 ] - [ 0.0006232700000000, -0.0000510700000000, 0.0008344600000000 ] - [ 0.0006241400000000, 0.0000527900000000, 0.0008435600000000 ] - [ -0.0000981400000000, 0.0001841300000000, -0.0002757400000000 ] - [ 0.0013298000000000, 0.0001509600000000, 0.0021257500000000 ] - [ 0.0037135000000000, 0.0000072300000000, 0.0010906700000000 ] - [ 0.0003602500000000, 0.0000034900000000, -0.0008414300000000 ] - [ -0.0392721200000000, 0.0131300700000000, 0.0013844500000000 ] - [ 0.0401145000000000, 0.0130987500000000, -0.0013834900000000 ] - [ -0.0006949200000000, -0.0002061800000000, 0.0000569700000000 ] - [ -0.0006837100000000, 0.0002120300000000, 0.0000539600000000 ] - [ 0.0000958100000000, -0.0000001700000000, 0.0006225600000000 ] - [ -0.0002382400000000, -0.0000005100000000, -0.0007884300000000 ] - [ 0.0032477800000000, -0.0059783300000000, -0.0001723100000000 ] - [ 0.0032462400000000, 0.0059820800000000, -0.0001751400000000 ] - [ -0.0003772500000000, -0.0064573800000000, 0.0001505600000000 ] - [ -0.0003592800000000, 0.0063333700000000, 0.0001460100000000 ] - [ -0.0029616100000000, 0.0000034700000000, 0.0005830400000000 ] - [ -0.0031629100000000, -0.0000036300000000, 0.0005530200000000 ] - [ 0.0020836600000000, 0.0000436500000000, -0.0016696700000000 ] - [ 0.0058397200000000, 0.0000362700000000, -0.0011158900000000 ] - [ 0.0015186700000000, -0.0002071200000000, 0.0022573400000000 ] - [ 0.0015196400000000, 0.0002042900000000, 0.0022578300000000 ] - [ -0.0011982500000000, -0.0002330900000000, 0.0058801100000000 ] - [ 0.0016301900000000, -0.0002404900000000, -0.0048293300000000 ] - [ 0.0014840300000000, -0.0001016200000000, 0.0003251800000000 ] - [ 0.0014881900000000, 0.0001185700000000, 0.0003269700000000 ] - [ 0.0005413000000000, -0.0000055000000000, 0.0000999900000000 ] - [ -0.0000487200000000, -0.0000056800000000, 0.0000544600000000 ] - [ -0.0015190800000000, -0.0000150000000000, 0.0010790200000000 ] - [ 0.0006224100000000, -0.0000201300000000, -0.0013600400000000 ] - [ 0.0001095300000000, 0.0000063700000000, -0.0022654700000000 ] - [ 0.0000675400000000, 0.0000044100000000, -0.0024360000000000 ] - [ -0.0002955600000000, -0.0001945800000000, -0.0012567900000000 ] - [ -0.0002996900000000, 0.0002483700000000, -0.0012312200000000 ] - [ -0.0050136600000000, -0.0021078800000000, -0.0007376900000000 ] - [ -0.0050221100000000, 0.0020838200000000, -0.0007331900000000 ] - [ -0.0002034300000000, -0.0000039200000000, 0.0001729800000000 ] - [ -0.0002017900000000, 0.0000078300000000, 0.0001778300000000 ]- atom: 71 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0064074300000000, 0.0055527000000000, -0.0021554600000000 ] - [ 0.0064074300000000, -0.0055527000000000, -0.0021554600000000 ] - [ -0.0027847700000000, -0.0004972900000000, -0.0054564400000000 ] - [ -0.0027847700000000, 0.0004972900000000, -0.0054564400000000 ] - [ -0.0013147700000000, 0.0000000000000000, -0.0000532800000000 ] - [ -0.0012843600000000, 0.0000000000000000, -0.0000244400000000 ] - [ 0.0017437400000000, 0.0000000000000000, -0.0012899200000000 ] - [ 0.0020277500000000, 0.0000000000000000, -0.0011303500000000 ] - [ -0.0054318400000000, 0.0000000000000000, -0.0009073800000000 ] - [ -0.0043574000000000, 0.0000000000000000, -0.0003282800000000 ] - [ 0.0079252400000000, 0.0002122800000000, -0.0007742600000000 ] - [ 0.0079252400000000, -0.0002122800000000, -0.0007742600000000 ] - [ 0.0008518500000000, 0.0000331300000000, -0.0031598800000000 ] - [ 0.0008518500000000, -0.0000331300000000, -0.0031598800000000 ] - [ -0.0051285200000000, -0.0000075100000000, -0.0007282400000000 ] - [ -0.0051285200000000, 0.0000075100000000, -0.0007282400000000 ] - [ -0.0004036300000000, 0.0000000000000000, -0.0089410800000000 ] - [ -0.0045621300000000, 0.0000000000000000, 0.0051057400000000 ] - [ -0.0038288600000000, 0.0001437500000000, 0.0038298900000000 ] - [ -0.0038288600000000, -0.0001437500000000, 0.0038298900000000 ] - [ 0.0025907300000000, 0.0000000000000000, -0.0003000600000000 ] - [ 0.0027851200000000, 0.0000000000000000, -0.0002262200000000 ] - [ -0.0039346000000000, 0.0199893000000000, 0.0338020200000000 ] - [ -0.0039346000000000, -0.0199893000000000, 0.0338020200000000 ] - [ -0.0059899300000000, 0.0000000000000000, 0.0004582200000000 ] - [ -0.0019803400000000, 0.0000000000000000, 0.0000274600000000 ] - [ -0.0031702900000000, 0.0000000000000000, -0.0108245000000000 ] - [ -0.0031753800000000, 0.0000000000000000, -0.0036394700000000 ] - [ -0.0012991900000000, 0.0000345700000000, -0.0027483300000000 ] - [ -0.0012991900000000, -0.0000345700000000, -0.0027483300000000 ] - [ -0.0019632700000000, 0.0000000000000000, 0.0006775000000000 ] - [ -0.0020119500000000, 0.0000000000000000, 0.0012758600000000 ] - [ 0.0067645000000000, 0.0004691900000000, -0.0064958100000000 ] - [ 0.0067645000000000, -0.0004691900000000, -0.0064958100000000 ] - [ -0.0009167400000000, 0.0000000000000000, 0.0020674000000000 ] - [ -0.0007430800000000, 0.0000000000000000, 0.0022380900000000 ] - [ -0.0002477200000000, 0.0000464000000000, 0.0023586600000000 ] - [ -0.0002477200000000, -0.0000464000000000, 0.0023586600000000 ] - [ 0.0041063100000000, -0.0013058700000000, 0.0024919100000000 ] - [ 0.0041063100000000, 0.0013058700000000, 0.0024919100000000 ] - [ -0.0000511800000000, -0.0007678100000000, 0.0053255700000000 ] - [ -0.0000511800000000, 0.0007678100000000, 0.0053255700000000 ] - [ 0.0004221100000000, 0.0000000000000000, 0.0010372600000000 ] - [ 0.0004260900000000, 0.0000000000000000, 0.0010326400000000 ] - [ 0.0038655100000000, 0.0000000000000000, 0.0009635400000000 ] - [ 0.0024316200000000, 0.0000000000000000, 0.0004157900000000 ] - [ 0.0002454900000000, 0.0000000000000000, 0.0000189100000000 ] - [ 0.0001766600000000, 0.0000000000000000, 0.0000053300000000 ] - [ -0.0028900200000000, -0.0002149000000000, -0.0007795700000000 ] - [ -0.0028900200000000, 0.0002149000000000, -0.0007795700000000 ] - [ -0.0029614500000000, 0.0000000000000000, 0.0232811300000000 ] - [ 0.0004285700000000, 0.0000000000000000, 0.0003072300000000 ] - [ 0.0035204900000000, -0.0002640400000000, -0.0000370500000000 ] - [ 0.0035204900000000, 0.0002640400000000, -0.0000370500000000 ] - [ -0.0005219500000000, -0.0000501400000000, 0.0001717000000000 ] - [ -0.0005219500000000, 0.0000501400000000, 0.0001717000000000 ] - [ -0.0160366300000000, 0.0000000000000000, 0.0106317800000000 ] - [ -0.0031708300000000, 0.0000000000000000, 0.0000247500000000 ] - [ 0.0039758800000000, 0.0000000000000000, -0.0016168300000000 ] - [ 0.0038180500000000, 0.0000000000000000, -0.0016219500000000 ] - [ 0.0012082000000000, -0.0152927600000000, 0.0074041600000000 ] - [ 0.0012082000000000, 0.0152927600000000, 0.0074041600000000 ] - [ 0.0002739400000000, 0.0000000000000000, 0.0005405900000000 ] - [ 0.0002594300000000, 0.0000000000000000, 0.0005021000000000 ] - [ 0.0008270100000000, -0.0039955800000000, -0.0027328400000000 ] - [ 0.0008270100000000, 0.0039955800000000, -0.0027328400000000 ] - [ 0.0103543900000000, 0.0000000000000000, -0.0001382800000000 ] - [ 0.0028783900000000, 0.0000000000000000, -0.0011803700000000 ] - [ 0.0004851300000000, 0.0000000000000000, -0.0000427100000000 ] - [ 0.0002106100000000, 0.0000000000000000, -0.0001151600000000 ] - [ 0.0309644900000000, 0.0000000000000000, -0.0863656300000000 ] - [ -0.0011173600000000, 0.0000000000000000, -0.0148144900000000 ] - [ -0.0000422700000000, 0.0000005300000000, -0.0023937200000000 ] - [ -0.0000422700000000, -0.0000005300000000, -0.0023937200000000 ] - [ -0.0046314400000000, -0.0000428200000000, -0.0007156600000000 ] - [ -0.0046314400000000, 0.0000428200000000, -0.0007156600000000 ] - [ 0.0003202200000000, 0.0062417400000000, 0.0049507200000000 ] - [ 0.0003202200000000, -0.0062417400000000, 0.0049507200000000 ] - [ 0.0004638800000000, 0.0000000000000000, 0.0005391500000000 ] - [ 0.0000075200000000, 0.0000000000000000, -0.0000579200000000 ] - [ 0.0053928500000000, 0.0000000000000000, 0.0014905600000000 ] - [ 0.0053529900000000, 0.0000000000000000, 0.0014850900000000 ] - [ 0.0007252900000000, 0.0000000000000000, 0.0008975200000000 ] - [ 0.0006963500000000, 0.0000000000000000, 0.0008247900000000 ] - [ 0.0008953700000000, -0.0007608400000000, -0.0003745000000000 ] - [ 0.0008953700000000, 0.0007608400000000, -0.0003745000000000 ] - [ 0.0038181100000000, 0.0000089000000000, 0.0004108800000000 ] - [ 0.0038181100000000, -0.0000089000000000, 0.0004108800000000 ] - [ -0.0154036900000000, 0.0075362300000000, -0.0014451700000000 ] - [ -0.0154036900000000, -0.0075362300000000, -0.0014451700000000 ] - [ 0.0002102700000000, 0.0000000000000000, -0.0003643700000000 ] - [ -0.0004191500000000, 0.0000000000000000, -0.0003185900000000 ] - [ 0.0000412800000000, -0.0000042800000000, 0.0005441300000000 ] - [ 0.0000412800000000, 0.0000042800000000, 0.0005441300000000 ] - [ 0.0030795000000000, 0.0000000000000000, 0.0014490200000000 ] - [ 0.0030686600000000, 0.0000000000000000, 0.0011848600000000 ] - [ -0.0022052400000000, 0.0000000000000000, -0.0012887300000000 ] - [ -0.0022301200000000, 0.0000000000000000, -0.0009558900000000 ] - [ -0.0029289500000000, -0.0000757300000000, 0.0005729800000000 ] - [ -0.0029289500000000, 0.0000757300000000, 0.0005729800000000 ] - [ 0.0027101000000000, -0.0002252700000000, -0.0014746300000000 ] - [ 0.0027101000000000, 0.0002252700000000, -0.0014746300000000 ] - [ 0.0015918400000000, 0.0000000000000000, 0.0023593900000000 ] - [ 0.0015463600000000, 0.0000000000000000, 0.0023331600000000 ] - [ -0.0005786300000000, -0.0000090300000000, 0.0044115000000000 ] - [ -0.0005786300000000, 0.0000090300000000, 0.0044115000000000 ] - [ 0.0012022300000000, 0.0000000000000000, 0.0002414700000000 ] - [ 0.0009618700000000, 0.0000000000000000, 0.0001677600000000 ] - [ 0.0001031100000000, -0.0000039400000000, 0.0001115100000000 ] - [ 0.0001031100000000, 0.0000039400000000, 0.0001115100000000 ] - [ -0.0031686500000000, 0.0000592500000000, 0.0008598900000000 ] - [ -0.0031686500000000, -0.0000592500000000, 0.0008598900000000 ] - [ 0.0000781200000000, -0.0000640100000000, -0.0021932400000000 ] - [ 0.0000781200000000, 0.0000640100000000, -0.0021932400000000 ] - [ -0.0008479200000000, 0.0000000000000000, 0.0028726100000000 ] - [ -0.0004850700000000, 0.0000000000000000, 0.0007101600000000 ] - [ -0.0063758700000000, 0.0000000000000000, 0.0005776900000000 ] - [ -0.0056273700000000, 0.0000000000000000, 0.0001604300000000 ] - [ -0.0000207400000000, 0.0000000000000000, 0.0008581700000000 ] - [ -0.0001342200000000, 0.0000000000000000, 0.0006213300000000 ]- atom: 71 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ -0.0020092600000000, -0.0054870000000000, -0.0001773800000000 ] - [ -0.0020092600000000, 0.0054870000000000, -0.0001773800000000 ] - [ -0.0042259800000000, 0.0005030800000000, 0.0053082000000000 ] - [ -0.0042259800000000, -0.0005030800000000, 0.0053082000000000 ] - [ -0.0013862200000000, 0.0000000000000000, -0.0000130100000000 ] - [ -0.0014149900000000, 0.0000000000000000, -0.0000508600000000 ] - [ 0.0026298300000000, 0.0000000000000000, -0.0010670700000000 ] - [ 0.0023514500000000, 0.0000000000000000, -0.0012363800000000 ] - [ -0.0016254900000000, 0.0000000000000000, 0.0007792800000000 ] - [ -0.0026855900000000, 0.0000000000000000, 0.0002087500000000 ] - [ -0.0105568800000000, -0.0002122600000000, 0.0006965700000000 ] - [ -0.0105568800000000, 0.0002122600000000, 0.0006965700000000 ] - [ -0.0018958000000000, -0.0000320500000000, -0.0004987600000000 ] - [ -0.0018958000000000, 0.0000320500000000, -0.0004987600000000 ] - [ -0.0014445800000000, 0.0000048300000000, -0.0008828000000000 ] - [ -0.0014445800000000, -0.0000048300000000, -0.0008828000000000 ] - [ -0.0015312900000000, 0.0000000000000000, 0.0054496700000000 ] - [ 0.0022052600000000, 0.0000000000000000, -0.0094548700000000 ] - [ -0.0040468300000000, -0.0001441500000000, -0.0001046600000000 ] - [ -0.0040468300000000, 0.0001441500000000, -0.0001046600000000 ] - [ 0.0045992500000000, 0.0000000000000000, -0.0002759500000000 ] - [ 0.0044120800000000, 0.0000000000000000, -0.0003512800000000 ] - [ 0.0019762100000000, -0.0201920700000000, -0.0281419600000000 ] - [ 0.0019762100000000, 0.0201920700000000, -0.0281419600000000 ] - [ 0.0048822900000000, 0.0000000000000000, -0.0040990700000000 ] - [ 0.0009235300000000, 0.0000000000000000, -0.0036752800000000 ] - [ -0.0033981400000000, 0.0000000000000000, 0.0091369700000000 ] - [ -0.0033917900000000, 0.0000000000000000, 0.0020347400000000 ] - [ -0.0010696400000000, -0.0000351900000000, -0.0016532400000000 ] - [ -0.0010696400000000, 0.0000351900000000, -0.0016532400000000 ] - [ -0.0058487700000000, 0.0000000000000000, 0.0030357600000000 ] - [ -0.0058022200000000, 0.0000000000000000, 0.0024434000000000 ] - [ 0.0004577100000000, -0.0004628500000000, 0.0058952600000000 ] - [ 0.0004577100000000, 0.0004628500000000, 0.0058952600000000 ] - [ -0.0008758000000000, 0.0000000000000000, 0.0033202400000000 ] - [ -0.0010511000000000, 0.0000000000000000, 0.0031484200000000 ] - [ 0.0000076300000000, -0.0000459300000000, -0.0015914700000000 ] - [ 0.0000076300000000, 0.0000459300000000, -0.0015914700000000 ] - [ 0.0058370000000000, 0.0012908400000000, 0.0004220100000000 ] - [ 0.0058370000000000, -0.0012908400000000, 0.0004220100000000 ] - [ 0.0012973300000000, 0.0007580200000000, -0.0036306300000000 ] - [ 0.0012973300000000, -0.0007580200000000, -0.0036306300000000 ] - [ 0.0008189500000000, 0.0000000000000000, 0.0007822700000000 ] - [ 0.0008140900000000, 0.0000000000000000, 0.0007854600000000 ] - [ 0.0003028100000000, 0.0000000000000000, -0.0006920400000000 ] - [ 0.0017102000000000, 0.0000000000000000, -0.0001539100000000 ] - [ 0.0000223300000000, 0.0000000000000000, -0.0000497100000000 ] - [ 0.0001015100000000, 0.0000000000000000, -0.0000362900000000 ] - [ 0.0015351800000000, 0.0002121100000000, 0.0008709700000000 ] - [ 0.0015351800000000, -0.0002121100000000, 0.0008709700000000 ] - [ 0.0027339400000000, 0.0000000000000000, -0.0231170500000000 ] - [ -0.0005643400000000, 0.0000000000000000, -0.0004603900000000 ] - [ 0.0029818400000000, 0.0002747500000000, -0.0002596500000000 ] - [ 0.0029818400000000, -0.0002747500000000, -0.0002596500000000 ] - [ -0.0002104200000000, 0.0000492400000000, 0.0000942100000000 ] - [ -0.0002104200000000, -0.0000492400000000, 0.0000942100000000 ] - [ 0.0096060600000000, 0.0000000000000000, -0.0092638100000000 ] - [ -0.0029479000000000, 0.0000000000000000, 0.0011059800000000 ] - [ 0.0039343300000000, 0.0000000000000000, -0.0011736000000000 ] - [ 0.0040859300000000, 0.0000000000000000, -0.0011686300000000 ] - [ 0.0018338800000000, 0.0151268800000000, -0.0028644800000000 ] - [ 0.0018338800000000, -0.0151268800000000, -0.0028644800000000 ] - [ 0.0001446700000000, 0.0000000000000000, 0.0005736500000000 ] - [ 0.0001564800000000, 0.0000000000000000, 0.0006319800000000 ] - [ 0.0022239800000000, 0.0040190400000000, 0.0033573400000000 ] - [ 0.0022239800000000, -0.0040190400000000, 0.0033573400000000 ] - [ -0.0097347700000000, 0.0000000000000000, 0.0002766200000000 ] - [ -0.0023751800000000, 0.0000000000000000, 0.0013306700000000 ] - [ -0.0014588700000000, 0.0000000000000000, -0.0002220100000000 ] - [ -0.0011823100000000, 0.0000000000000000, -0.0001483900000000 ] - [ -0.0306130400000000, 0.0000000000000000, 0.0796331800000000 ] - [ 0.0013322400000000, 0.0000000000000000, 0.0100503300000000 ] - [ -0.0005586400000000, 0.0000006500000000, -0.0000194200000000 ] - [ -0.0005586400000000, -0.0000006500000000, -0.0000194200000000 ] - [ -0.0054319100000000, 0.0000413600000000, -0.0007356100000000 ] - [ -0.0054319100000000, -0.0000413600000000, -0.0007356100000000 ] - [ -0.0007369700000000, -0.0063039200000000, -0.0045571900000000 ] - [ -0.0007369700000000, 0.0063039200000000, -0.0045571900000000 ] - [ -0.0006951400000000, 0.0000000000000000, 0.0002327900000000 ] - [ -0.0002462400000000, 0.0000000000000000, 0.0008120200000000 ] - [ 0.0045597100000000, 0.0000000000000000, 0.0014183300000000 ] - [ 0.0045996200000000, 0.0000000000000000, 0.0014244900000000 ] - [ 0.0005241400000000, 0.0000000000000000, 0.0007802900000000 ] - [ 0.0005541000000000, 0.0000000000000000, 0.0008777600000000 ] - [ 0.0003464700000000, 0.0007509000000000, 0.0021818900000000 ] - [ 0.0003464700000000, -0.0007509000000000, 0.0021818900000000 ] - [ 0.0003242900000000, -0.0000084300000000, -0.0001477700000000 ] - [ 0.0003242900000000, 0.0000084300000000, -0.0001477700000000 ] - [ 0.0156413000000000, -0.0075755900000000, 0.0014475700000000 ] - [ 0.0156413000000000, 0.0075755900000000, 0.0014475700000000 ] - [ -0.0015409600000000, 0.0000000000000000, 0.0004702700000000 ] - [ -0.0009300500000000, 0.0000000000000000, 0.0004225400000000 ] - [ -0.0001785400000000, 0.0000040500000000, -0.0006806900000000 ] - [ -0.0001785400000000, -0.0000040500000000, -0.0006806900000000 ] - [ 0.0034140400000000, 0.0000000000000000, -0.0017426000000000 ] - [ 0.0034246900000000, 0.0000000000000000, -0.0014719800000000 ] - [ 0.0014397700000000, 0.0000000000000000, 0.0015491100000000 ] - [ 0.0014749400000000, 0.0000000000000000, 0.0012173100000000 ] - [ -0.0031840800000000, 0.0000794300000000, 0.0005671800000000 ] - [ -0.0031840800000000, -0.0000794300000000, 0.0005671800000000 ] - [ 0.0051718600000000, 0.0002233400000000, -0.0013141100000000 ] - [ 0.0051718600000000, -0.0002233400000000, -0.0013141100000000 ] - [ 0.0014501600000000, 0.0000000000000000, 0.0021610100000000 ] - [ 0.0014957100000000, 0.0000000000000000, 0.0021869300000000 ] - [ 0.0009862700000000, 0.0000066200000000, -0.0032545200000000 ] - [ 0.0009862700000000, -0.0000066200000000, -0.0032545200000000 ] - [ 0.0017760800000000, 0.0000000000000000, 0.0004126200000000 ] - [ 0.0020131600000000, 0.0000000000000000, 0.0004867400000000 ] - [ 0.0003935000000000, 0.0000037100000000, 0.0000455100000000 ] - [ 0.0003935000000000, -0.0000037100000000, 0.0000455100000000 ] - [ 0.0021627600000000, -0.0000591700000000, -0.0011203400000000 ] - [ 0.0021627600000000, 0.0000591700000000, -0.0011203400000000 ] - [ 0.0001035800000000, 0.0000626400000000, -0.0024996100000000 ] - [ 0.0001035800000000, -0.0000626400000000, -0.0024996100000000 ] - [ 0.0002393600000000, 0.0000000000000000, -0.0052676600000000 ] - [ -0.0001183000000000, 0.0000000000000000, -0.0031260500000000 ] - [ -0.0037000800000000, 0.0000000000000000, -0.0020195600000000 ] - [ -0.0044391700000000, 0.0000000000000000, -0.0016079800000000 ] - [ -0.0003753100000000, 0.0000000000000000, -0.0004898900000000 ] - [ -0.0002621700000000, 0.0000000000000000, -0.0002490600000000 ]- atom: 73 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0022925900000000, 0.0000000000000000, -0.0030046800000000 ] - [ 0.0030545200000000, 0.0000000000000000, -0.0008991000000000 ] - [ -0.0073615000000000, 0.0000000000000000, 0.0014228100000000 ] - [ -0.0033953600000000, 0.0000000000000000, 0.0007812700000000 ] - [ -0.0027118700000000, 0.0016848700000000, 0.0021445300000000 ] - [ -0.0027118700000000, -0.0016848700000000, 0.0021445300000000 ] - [ 0.0020222500000000, -0.0000803400000000, -0.0022297300000000 ] - [ 0.0020222500000000, 0.0000803400000000, -0.0022297300000000 ] - [ -0.0046953900000000, 0.0000131400000000, -0.0005383000000000 ] - [ -0.0046953900000000, -0.0000131400000000, -0.0005383000000000 ] - [ -0.0023571100000000, 0.0000000000000000, -0.0003825400000000 ] - [ -0.0020054100000000, 0.0000000000000000, -0.0002747100000000 ] - [ 0.0006510000000000, 0.0000000000000000, 0.0009882400000000 ] - [ -0.0002829300000000, 0.0000000000000000, -0.0005943600000000 ] - [ 0.0125737300000000, 0.0000000000000000, 0.0077840300000000 ] - [ -0.0007475600000000, 0.0000000000000000, -0.0003700900000000 ] - [ -0.0017084300000000, -0.0002911500000000, -0.0028902100000000 ] - [ -0.0017084300000000, 0.0002911500000000, -0.0028902100000000 ] - [ 0.0147981300000000, 0.0000000000000000, -0.0155017900000000 ] - [ -0.0007507300000000, 0.0000000000000000, 0.0008922500000000 ] - [ 0.0028457600000000, 0.0024936900000000, -0.0026914500000000 ] - [ 0.0028457600000000, -0.0024936900000000, -0.0026914500000000 ] - [ -0.0039004400000000, 0.0000000000000000, 0.0007088900000000 ] - [ -0.0009856800000000, 0.0000000000000000, 0.0020846800000000 ] - [ -0.0013323800000000, -0.0000227000000000, -0.0023390500000000 ] - [ -0.0013323800000000, 0.0000227000000000, -0.0023390500000000 ] - [ -0.0040495900000000, -0.0000476800000000, -0.0012383100000000 ] - [ -0.0040495900000000, 0.0000476800000000, -0.0012383100000000 ] - [ -0.0006501700000000, 0.0000000000000000, -0.0006964400000000 ] - [ -0.0009397600000000, 0.0000000000000000, -0.0020698300000000 ] - [ -0.0045942900000000, -0.0000370800000000, 0.0014311400000000 ] - [ -0.0045942900000000, 0.0000370800000000, 0.0014311400000000 ] - [ 0.0026709800000000, 0.0000000000000000, -0.0004620100000000 ] - [ 0.0031201000000000, 0.0000000000000000, -0.0002775400000000 ] - [ -0.0020224600000000, -0.0001704200000000, 0.0028598900000000 ] - [ -0.0020224600000000, 0.0001704200000000, 0.0028598900000000 ] - [ 0.0000432700000000, 0.0000000000000000, -0.0016347500000000 ] - [ -0.0001880000000000, 0.0000000000000000, -0.0006477000000000 ] - [ 0.0052649100000000, 0.0000000000000000, 0.0015323200000000 ] - [ 0.0051778700000000, 0.0000000000000000, 0.0015248700000000 ] - [ 0.0008215500000000, 0.0000000000000000, 0.0013048900000000 ] - [ 0.0005984900000000, 0.0000000000000000, 0.0007283100000000 ] - [ 0.0005142400000000, -0.0000225000000000, 0.0001717200000000 ] - [ 0.0005142400000000, 0.0000225000000000, 0.0001717200000000 ] - [ 0.0027867500000000, 0.0000009200000000, 0.0001766400000000 ] - [ 0.0027867500000000, -0.0000009200000000, 0.0001766400000000 ] - [ 0.0014560400000000, -0.0000193500000000, -0.0001832700000000 ] - [ 0.0014560400000000, 0.0000193500000000, -0.0001832700000000 ] - [ -0.0006278800000000, 0.0000000000000000, 0.0004622000000000 ] - [ -0.0013626600000000, 0.0000000000000000, -0.0006778300000000 ] - [ 0.0000063800000000, 0.0000240800000000, 0.0004036100000000 ] - [ 0.0000063800000000, -0.0000240800000000, 0.0004036100000000 ] - [ 0.0035017200000000, 0.0000000000000000, -0.0000485100000000 ] - [ 0.0034925100000000, 0.0000000000000000, -0.0000486600000000 ] - [ 0.0015299600000000, 0.0000000000000000, -0.0037352300000000 ] - [ -0.0008342200000000, 0.0000000000000000, -0.0003745000000000 ] - [ -0.0030565300000000, 0.0004719300000000, 0.0007626600000000 ] - [ -0.0030565300000000, -0.0004719300000000, 0.0007626600000000 ] - [ 0.0016645900000000, -0.0032458600000000, -0.0043724400000000 ] - [ 0.0016645900000000, 0.0032458600000000, -0.0043724400000000 ] - [ 0.0018858300000000, 0.0000000000000000, 0.0027175800000000 ] - [ 0.0014683600000000, 0.0000000000000000, 0.0023977000000000 ] - [ 0.0014075000000000, -0.0013078300000000, 0.0003206100000000 ] - [ 0.0014075000000000, 0.0013078300000000, 0.0003206100000000 ] - [ 0.0001285000000000, 0.0000000000000000, 0.0112170600000000 ] - [ 0.0000614700000000, 0.0000000000000000, 0.0003183600000000 ] - [ 0.0008641800000000, 0.0000300000000000, 0.0001583200000000 ] - [ 0.0008641800000000, -0.0000300000000000, 0.0001583200000000 ] - [ 0.0004913200000000, -0.0000098600000000, 0.0000551500000000 ] - [ 0.0004913200000000, 0.0000098600000000, 0.0000551500000000 ] - [ 0.0002809200000000, 0.0005832800000000, -0.0019358800000000 ] - [ 0.0002809200000000, -0.0005832800000000, -0.0019358800000000 ] - [ -0.0324949200000000, 0.0000000000000000, 0.0141761000000000 ] - [ -0.0008858800000000, 0.0000000000000000, -0.0004223900000000 ] - [ -0.0017842200000000, 0.0000000000000000, 0.0034032000000000 ] - [ -0.0058223000000000, 0.0000000000000000, -0.0003699500000000 ] - [ 0.0006771000000000, 0.0000000000000000, 0.0010110500000000 ] - [ -0.0000615700000000, 0.0000000000000000, 0.0003218100000000 ] - [ 0.0000395100000000, -0.0000006300000000, 0.0008894200000000 ] - [ 0.0000395100000000, 0.0000006300000000, 0.0008894200000000 ] - [ 0.0027367500000000, -0.0011117700000000, 0.0032919800000000 ] - [ 0.0027367500000000, 0.0011117700000000, 0.0032919800000000 ] - [ 0.0006112400000000, -0.0002218400000000, 0.0024168900000000 ] - [ 0.0006112400000000, 0.0002218400000000, 0.0024168900000000 ] - [ 0.0008021200000000, 0.0000000000000000, 0.0011094500000000 ] - [ 0.0007846700000000, 0.0000000000000000, 0.0010679100000000 ] - [ 0.0044087500000000, 0.0000000000000000, -0.0120722900000000 ] - [ 0.0007204300000000, 0.0000000000000000, 0.0000080200000000 ] - [ 0.0015425600000000, 0.0000000000000000, 0.0000819200000000 ] - [ 0.0007845500000000, 0.0000000000000000, 0.0000154700000000 ] - [ -0.0001367500000000, 0.0000086200000000, 0.0002531600000000 ] - [ -0.0001367500000000, -0.0000086200000000, 0.0002531600000000 ] - [ 0.0006164500000000, 0.0000000000000000, -0.0036812800000000 ] - [ -0.0002421300000000, 0.0000000000000000, 0.0000502900000000 ] - [ 0.0034968200000000, 0.0007461500000000, -0.0004543900000000 ] - [ 0.0034968200000000, -0.0007461500000000, -0.0004543900000000 ] - [ -0.0000698900000000, 0.0000673000000000, 0.0002921400000000 ] - [ -0.0000698900000000, -0.0000673000000000, 0.0002921400000000 ] - [ -0.0033776900000000, 0.0000000000000000, 0.0006343000000000 ] - [ -0.0032111500000000, 0.0000000000000000, 0.0006770300000000 ] - [ 0.0042482800000000, 0.0000000000000000, -0.0013205600000000 ] - [ 0.0041744400000000, 0.0000000000000000, -0.0013338900000000 ] - [ 0.0014242000000000, 0.0003436500000000, 0.0021159500000000 ] - [ 0.0014242000000000, -0.0003436500000000, 0.0021159500000000 ] - [ 0.0004114300000000, 0.0000000000000000, 0.0007809100000000 ] - [ 0.0003043900000000, 0.0000000000000000, 0.0007135500000000 ] - [ 0.0020474600000000, 0.0000106600000000, 0.0004492600000000 ] - [ 0.0020474600000000, -0.0000106600000000, 0.0004492600000000 ] - [ 0.0001965400000000, 0.0000000000000000, -0.0001712100000000 ] - [ 0.0000385700000000, 0.0000000000000000, -0.0000359600000000 ] - [ 0.0005668900000000, 0.0000000000000000, -0.0002286300000000 ] - [ -0.0000893400000000, 0.0000000000000000, -0.0001911800000000 ] - [ 0.0001399300000000, 0.0000000000000000, -0.0029382000000000 ] - [ 0.0002261000000000, 0.0000000000000000, -0.0024801700000000 ] - [ -0.0002164200000000, 0.0000072300000000, -0.0009149500000000 ] - [ -0.0002164200000000, -0.0000072300000000, -0.0009149500000000 ] - [ -0.0047769200000000, 0.0001241900000000, -0.0006868700000000 ] - [ -0.0047769200000000, -0.0001241900000000, -0.0006868700000000 ] - [ -0.0000350300000000, 0.0000140800000000, 0.0002965100000000 ] - [ -0.0000350300000000, -0.0000140800000000, 0.0002965100000000 ]- atom: 73 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0021717500000000, 0.0000000000000000, 0.0006411800000000 ] - [ 0.0013371000000000, 0.0000000000000000, -0.0014714600000000 ] - [ 0.0002494700000000, 0.0000000000000000, -0.0015177600000000 ] - [ -0.0036261100000000, 0.0000000000000000, -0.0008857800000000 ] - [ 0.0000192300000000, -0.0016950000000000, -0.0022276300000000 ] - [ 0.0000192300000000, 0.0016950000000000, -0.0022276300000000 ] - [ 0.0023554600000000, 0.0000862700000000, -0.0001284900000000 ] - [ 0.0023554600000000, -0.0000862700000000, -0.0001284900000000 ] - [ -0.0023166600000000, -0.0000129500000000, 0.0004228200000000 ] - [ -0.0023166600000000, 0.0000129500000000, 0.0004228200000000 ] - [ -0.0003393700000000, 0.0000000000000000, 0.0003191800000000 ] - [ -0.0006905300000000, 0.0000000000000000, 0.0002064100000000 ] - [ -0.0017506000000000, 0.0000000000000000, -0.0046507500000000 ] - [ -0.0007601300000000, 0.0000000000000000, -0.0030704700000000 ] - [ -0.0191235100000000, 0.0000000000000000, -0.0084142000000000 ] - [ -0.0058257300000000, 0.0000000000000000, -0.0012184600000000 ] - [ -0.0006559400000000, 0.0002921000000000, -0.0015263800000000 ] - [ -0.0006559400000000, -0.0002921000000000, -0.0015263800000000 ] - [ -0.0224061000000000, 0.0000000000000000, 0.0178897400000000 ] - [ -0.0070493200000000, 0.0000000000000000, 0.0028362400000000 ] - [ 0.0043652700000000, -0.0025271000000000, 0.0021422200000000 ] - [ 0.0043652700000000, 0.0025271000000000, 0.0021422200000000 ] - [ 0.0021046900000000, 0.0000000000000000, 0.0046854000000000 ] - [ -0.0007922300000000, 0.0000000000000000, 0.0033051700000000 ] - [ 0.0002875000000000, 0.0000218900000000, -0.0013296100000000 ] - [ 0.0002875000000000, -0.0000218900000000, -0.0013296100000000 ] - [ -0.0025364000000000, 0.0000479200000000, -0.0003552800000000 ] - [ -0.0025364000000000, -0.0000479200000000, -0.0003552800000000 ] - [ -0.0017270400000000, 0.0000000000000000, -0.0037864800000000 ] - [ -0.0014334600000000, 0.0000000000000000, -0.0023381400000000 ] - [ -0.0032290000000000, 0.0000356000000000, 0.0023010900000000 ] - [ -0.0032290000000000, -0.0000356000000000, 0.0023010900000000 ] - [ 0.0045225700000000, 0.0000000000000000, -0.0000750500000000 ] - [ 0.0040826000000000, 0.0000000000000000, -0.0002843700000000 ] - [ 0.0002496600000000, 0.0001776300000000, 0.0025339000000000 ] - [ 0.0002496600000000, -0.0001776300000000, 0.0025339000000000 ] - [ -0.0002621200000000, 0.0000000000000000, 0.0023495100000000 ] - [ -0.0000448800000000, 0.0000000000000000, 0.0014065200000000 ] - [ 0.0046876800000000, 0.0000000000000000, 0.0013730900000000 ] - [ 0.0047769300000000, 0.0000000000000000, 0.0013802700000000 ] - [ 0.0004223600000000, 0.0000000000000000, 0.0003430600000000 ] - [ 0.0006511600000000, 0.0000000000000000, 0.0009739200000000 ] - [ 0.0007356500000000, 0.0000151900000000, 0.0016602400000000 ] - [ 0.0007356500000000, -0.0000151900000000, 0.0016602400000000 ] - [ 0.0013504200000000, -0.0000011400000000, 0.0000802000000000 ] - [ 0.0013504200000000, 0.0000011400000000, 0.0000802000000000 ] - [ -0.0012037800000000, 0.0000184200000000, 0.0001526000000000 ] - [ -0.0012037800000000, -0.0000184200000000, 0.0001526000000000 ] - [ -0.0007062400000000, 0.0000000000000000, -0.0005171900000000 ] - [ -0.0000012400000000, 0.0000000000000000, 0.0007750400000000 ] - [ -0.0001504900000000, -0.0000239900000000, -0.0005423800000000 ] - [ -0.0001504900000000, 0.0000239900000000, -0.0005423800000000 ] - [ 0.0030053600000000, 0.0000000000000000, -0.0002528700000000 ] - [ 0.0030151500000000, 0.0000000000000000, -0.0002534400000000 ] - [ -0.0022932500000000, 0.0000000000000000, 0.0040650600000000 ] - [ 0.0000993700000000, 0.0000000000000000, 0.0006412000000000 ] - [ -0.0030730800000000, -0.0004962700000000, 0.0003797600000000 ] - [ -0.0030730800000000, 0.0004962700000000, 0.0003797600000000 ] - [ 0.0062679100000000, 0.0032028600000000, 0.0015819600000000 ] - [ 0.0062679100000000, -0.0032028600000000, 0.0015819600000000 ] - [ 0.0011485900000000, 0.0000000000000000, 0.0018090500000000 ] - [ 0.0015791400000000, 0.0000000000000000, 0.0021259200000000 ] - [ -0.0010079100000000, 0.0013259800000000, 0.0007958400000000 ] - [ -0.0010079100000000, -0.0013259800000000, 0.0007958400000000 ] - [ 0.0028642000000000, 0.0000000000000000, -0.0104580200000000 ] - [ 0.0028941800000000, 0.0000000000000000, 0.0003329500000000 ] - [ -0.0003686100000000, -0.0000299800000000, -0.0000046200000000 ] - [ -0.0003686100000000, 0.0000299800000000, -0.0000046200000000 ] - [ -0.0014864800000000, 0.0000100900000000, -0.0003178000000000 ] - [ -0.0014864800000000, -0.0000100900000000, -0.0003178000000000 ] - [ -0.0001019500000000, -0.0005814100000000, -0.0027551400000000 ] - [ -0.0001019500000000, 0.0005814100000000, -0.0027551400000000 ] - [ 0.0315172300000000, 0.0000000000000000, -0.0161136800000000 ] - [ 0.0002743000000000, 0.0000000000000000, -0.0019986300000000 ] - [ -0.0083577200000000, 0.0000000000000000, -0.0049367200000000 ] - [ -0.0042354000000000, 0.0000000000000000, -0.0010852500000000 ] - [ -0.0010753400000000, 0.0000000000000000, -0.0006217500000000 ] - [ -0.0003375900000000, 0.0000000000000000, 0.0000347100000000 ] - [ -0.0002723800000000, 0.0000002300000000, -0.0001302400000000 ] - [ -0.0002723800000000, -0.0000002300000000, -0.0001302400000000 ] - [ 0.0072370400000000, 0.0010870600000000, -0.0003815200000000 ] - [ 0.0072370400000000, -0.0010870600000000, -0.0003815200000000 ] - [ 0.0006396700000000, 0.0002248400000000, -0.0007417700000000 ] - [ 0.0006396700000000, -0.0002248400000000, -0.0007417700000000 ] - [ 0.0004434500000000, 0.0000000000000000, 0.0007199900000000 ] - [ 0.0004604100000000, 0.0000000000000000, 0.0007525200000000 ] - [ -0.0001670200000000, 0.0000000000000000, 0.0121273100000000 ] - [ 0.0034220100000000, 0.0000000000000000, 0.0002468000000000 ] - [ -0.0012746800000000, 0.0000000000000000, -0.0001172700000000 ] - [ -0.0005015200000000, 0.0000000000000000, -0.0000466500000000 ] - [ -0.0012143500000000, -0.0000086700000000, -0.0001518100000000 ] - [ -0.0012143500000000, 0.0000086700000000, -0.0001518100000000 ] - [ -0.0007327400000000, 0.0000000000000000, 0.0037706300000000 ] - [ 0.0000983700000000, 0.0000000000000000, -0.0001958000000000 ] - [ 0.0030170900000000, -0.0007026600000000, 0.0001488100000000 ] - [ 0.0030170900000000, 0.0007026600000000, 0.0001488100000000 ] - [ -0.0006722700000000, -0.0000532700000000, -0.0000263500000000 ] - [ -0.0006722700000000, 0.0000532700000000, -0.0000263500000000 ] - [ -0.0027258200000000, 0.0000000000000000, 0.0005077600000000 ] - [ -0.0029050000000000, 0.0000000000000000, 0.0004622000000000 ] - [ 0.0036589900000000, 0.0000000000000000, -0.0014661700000000 ] - [ 0.0037204700000000, 0.0000000000000000, -0.0014530000000000 ] - [ 0.0016263100000000, -0.0003585300000000, 0.0024082900000000 ] - [ 0.0016263100000000, 0.0003585300000000, 0.0024082900000000 ] - [ 0.0000105700000000, 0.0000000000000000, 0.0003062500000000 ] - [ 0.0001116000000000, 0.0000000000000000, 0.0004171800000000 ] - [ 0.0009260100000000, -0.0000114500000000, 0.0002026800000000 ] - [ 0.0009260100000000, 0.0000114500000000, 0.0002026800000000 ] - [ 0.0002831500000000, 0.0000000000000000, 0.0003301400000000 ] - [ 0.0004603300000000, 0.0000000000000000, 0.0001889400000000 ] - [ -0.0015184300000000, 0.0000000000000000, -0.0000335400000000 ] - [ -0.0009040800000000, 0.0000000000000000, -0.0000726500000000 ] - [ 0.0000431800000000, 0.0000000000000000, -0.0017379300000000 ] - [ -0.0000478000000000, 0.0000000000000000, -0.0022157500000000 ] - [ -0.0003889500000000, -0.0000074900000000, -0.0015141400000000 ] - [ -0.0003889500000000, 0.0000074900000000, -0.0015141400000000 ] - [ -0.0052848000000000, -0.0001280000000000, -0.0007659900000000 ] - [ -0.0052848000000000, 0.0001280000000000, -0.0007659900000000 ] - [ -0.0003648600000000, -0.0000147800000000, 0.0000716800000000 ] - [ -0.0003648600000000, 0.0000147800000000, 0.0000716800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022352700000000, 0.0001744100000000, -0.0011642400000000 ] - [ 0.0021831000000000, -0.0000558100000000, -0.0011958000000000 ] - [ -0.0035130100000000, 0.0003792000000000, -0.0000473900000000 ] - [ -0.0035315000000000, -0.0003070100000000, -0.0000554600000000 ] - [ 0.0014739700000000, 0.0000311700000000, -0.0012494300000000 ] - [ -0.0041360000000000, 0.0000033900000000, 0.0011673300000000 ] - [ 0.0022295300000000, -0.0000079200000000, -0.0007529400000000 ] - [ 0.0021575400000000, -0.0000178000000000, -0.0015990700000000 ] - [ -0.0031200000000000, 0.0000008500000000, 0.0000326000000000 ] - [ -0.0038969500000000, -0.0000043900000000, -0.0001453800000000 ] - [ -0.0013405800000000, 0.0000208000000000, -0.0000294400000000 ] - [ -0.0013475200000000, -0.0000220400000000, -0.0000363600000000 ] - [ -0.0005608200000000, 0.0007358100000000, -0.0018329900000000 ] - [ -0.0005179400000000, -0.0007985300000000, -0.0018351800000000 ] - [ -0.0032883800000000, 0.0048689000000000, -0.0002820600000000 ] - [ -0.0033037500000000, -0.0118245100000000, -0.0007878400000000 ] - [ -0.0011489000000000, 0.0000042600000000, -0.0022542900000000 ] - [ -0.0012079000000000, -0.0000052800000000, -0.0021530200000000 ] - [ -0.0038639400000000, 0.0095572900000000, 0.0011224200000000 ] - [ -0.0039223800000000, -0.0139637200000000, 0.0018680300000000 ] - [ 0.0062983100000000, -0.0000288600000000, 0.0009195100000000 ] - [ 0.0009551500000000, -0.0000516900000000, -0.0014776600000000 ] - [ -0.0008792000000000, 0.0006581500000000, 0.0026896200000000 ] - [ -0.0009035200000000, -0.0004728800000000, 0.0026895100000000 ] - [ -0.0004502600000000, -0.0000007900000000, -0.0017784800000000 ] - [ -0.0005896400000000, -0.0000000800000000, -0.0018814000000000 ] - [ -0.0032356800000000, 0.0000008200000000, -0.0007844100000000 ] - [ -0.0033281700000000, -0.0000011300000000, -0.0008063600000000 ] - [ -0.0011913900000000, -0.0001428500000000, -0.0022408800000000 ] - [ -0.0011827400000000, -0.0001593900000000, -0.0021787200000000 ] - [ -0.0038465500000000, -0.0000023300000000, 0.0019211900000000 ] - [ -0.0039702100000000, -0.0000004800000000, 0.0018109200000000 ] - [ 0.0036045200000000, 0.0000192200000000, -0.0002654500000000 ] - [ 0.0036010600000000, -0.0000135900000000, -0.0002849100000000 ] - [ -0.0003892300000000, 0.0000168900000000, 0.0026590800000000 ] - [ -0.0013857300000000, 0.0000055100000000, 0.0027320200000000 ] - [ -0.0001151800000000, -0.0000721700000000, 0.0003641400000000 ] - [ -0.0001185700000000, 0.0000223900000000, 0.0003805200000000 ] - [ 0.0049747900000000, -0.0000232400000000, 0.0014522200000000 ] - [ 0.0049772200000000, 0.0000234300000000, 0.0014527400000000 ] - [ 0.0006214300000000, -0.0000837000000000, 0.0008154100000000 ] - [ 0.0006266100000000, -0.0000070600000000, 0.0008547800000000 ] - [ 0.0004141800000000, 0.0000660800000000, 0.0014263500000000 ] - [ 0.0008301600000000, 0.0000924800000000, 0.0004101400000000 ] - [ 0.0019785200000000, 0.0000002800000000, 0.0001220900000000 ] - [ 0.0021473100000000, 0.0000006100000000, 0.0001350900000000 ] - [ -0.0009032900000000, -0.0000132600000000, 0.0001301600000000 ] - [ 0.0011526800000000, -0.0000102000000000, -0.0001600500000000 ] - [ -0.0006601400000000, 0.0018618200000000, -0.0000403700000000 ] - [ -0.0006778200000000, 0.0010085000000000, 0.0000673500000000 ] - [ -0.0000773400000000, 0.0000005700000000, -0.0000674600000000 ] - [ -0.0000625800000000, 0.0000011600000000, -0.0000775400000000 ] - [ 0.0032464800000000, -0.0001676100000000, -0.0001503300000000 ] - [ 0.0032461600000000, 0.0001668600000000, -0.0001503600000000 ] - [ -0.0003532700000000, -0.0013669800000000, 0.0001350700000000 ] - [ -0.0003760300000000, 0.0014160300000000, 0.0001347500000000 ] - [ -0.0030538500000000, -0.0001148700000000, 0.0005219600000000 ] - [ -0.0030719500000000, -0.0000767800000000, 0.0006213300000000 ] - [ 0.0009415600000000, 0.0112359600000000, 0.0091030600000000 ] - [ 0.0069067100000000, 0.0111401300000000, -0.0117324600000000 ] - [ 0.0015144700000000, -0.0000226900000000, 0.0022598500000000 ] - [ 0.0015245400000000, 0.0000348400000000, 0.0022630400000000 ] - [ -0.0010660500000000, 0.0006363400000000, 0.0005896700000000 ] - [ 0.0014681900000000, 0.0006333500000000, 0.0005317800000000 ] - [ 0.0014474900000000, -0.0022389300000000, 0.0003206100000000 ] - [ 0.0014974300000000, 0.0005127900000000, 0.0003303500000000 ] - [ 0.0002279400000000, 0.0000007700000000, 0.0000790500000000 ] - [ 0.0002639500000000, 0.0000015400000000, 0.0000763700000000 ] - [ -0.0013385400000000, -0.0000363700000000, -0.0002195800000000 ] - [ 0.0003398000000000, -0.0000351400000000, -0.0000446700000000 ] - [ 0.0001953900000000, 0.0000481600000000, -0.0022850400000000 ] - [ -0.0000160800000000, 0.0000605100000000, -0.0024071800000000 ] - [ -0.0002379600000000, -0.0345651200000000, -0.0010100700000000 ] - [ -0.0003067400000000, 0.0013613300000000, -0.0012162000000000 ] - [ -0.0050213300000000, -0.0014890300000000, -0.0007215900000000 ] - [ -0.0050414100000000, 0.0013080200000000, -0.0007264700000000 ] - [ -0.0002009000000000, -0.0002863000000000, 0.0001925400000000 ] - [ -0.0001991100000000, 0.0001762800000000, 0.0001839300000000 ] - [ -0.0001530400000000, -0.0000002900000000, 0.0003082700000000 ] - [ -0.0000873700000000, 0.0000001600000000, 0.0004395500000000 ] - [ 0.0026504700000000, 0.0091686100000000, -0.0069290400000000 ] - [ 0.0072505200000000, 0.0090597900000000, 0.0096891700000000 ] - [ 0.0003768600000000, 0.0000406700000000, 0.0001779700000000 ] - [ 0.0008691400000000, 0.0000434500000000, 0.0014914100000000 ] - [ 0.0006208800000000, -0.0000486900000000, 0.0009124400000000 ] - [ 0.0006211700000000, 0.0000506200000000, 0.0009107000000000 ] - [ 0.0020358700000000, -0.0029049700000000, 0.0001340500000000 ] - [ 0.0020891700000000, 0.0004381200000000, 0.0001265500000000 ] - [ 0.0001205000000000, 0.0000237300000000, -0.0000159200000000 ] - [ 0.0001430600000000, 0.0000244300000000, -0.0000150400000000 ] - [ -0.0007873700000000, -0.0000004100000000, 0.0000003000000000 ] - [ -0.0005671300000000, 0.0000000600000000, 0.0001014300000000 ] - [ -0.0000524000000000, 0.0028908200000000, 0.0000444200000000 ] - [ -0.0000693900000000, 0.0011173400000000, -0.0001078700000000 ] - [ 0.0033358700000000, 0.0000159700000000, -0.0002845600000000 ] - [ 0.0031587000000000, -0.0000064200000000, -0.0000181900000000 ] - [ -0.0003868800000000, 0.0000065700000000, 0.0001220600000000 ] - [ -0.0003562200000000, -0.0000042300000000, 0.0001441000000000 ] - [ -0.0030509300000000, -0.0002007600000000, 0.0005714600000000 ] - [ -0.0030610600000000, 0.0002232100000000, 0.0005689200000000 ] - [ 0.0039506400000000, -0.0000424900000000, -0.0013944700000000 ] - [ 0.0039478100000000, 0.0000444600000000, -0.0013943000000000 ] - [ 0.0015302800000000, 0.0000571100000000, 0.0023017400000000 ] - [ 0.0015150500000000, 0.0000839800000000, 0.0022221200000000 ] - [ 0.0002087800000000, -0.0000044400000000, 0.0005422700000000 ] - [ 0.0002079000000000, 0.0000024500000000, 0.0005689700000000 ] - [ 0.0014006900000000, 0.0000005400000000, 0.0003162000000000 ] - [ 0.0015709000000000, 0.0000018000000000, 0.0003356200000000 ] - [ 0.0002462500000000, -0.0000125600000000, 0.0000812300000000 ] - [ 0.0002548300000000, 0.0000908200000000, 0.0000768400000000 ] - [ -0.0004821300000000, -0.0000120000000000, -0.0001322900000000 ] - [ -0.0004901600000000, 0.0000107300000000, -0.0001311300000000 ] - [ 0.0000915000000000, -0.0001948100000000, -0.0023373400000000 ] - [ 0.0000881500000000, 0.0002481300000000, -0.0023509300000000 ] - [ -0.0003084400000000, 0.0000002000000000, -0.0012354600000000 ] - [ -0.0002932000000000, 0.0000005000000000, -0.0011953500000000 ] - [ -0.0050417800000000, -0.0000061500000000, -0.0007265100000000 ] - [ -0.0050225500000000, 0.0000025200000000, -0.0007265900000000 ] - [ -0.0002645200000000, -0.0000029500000000, 0.0001203200000000 ] - [ -0.0001418000000000, -0.0000019900000000, 0.0002488300000000 ]- atom: 73 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ -0.0080082600000000, 0.0000000000000000, -0.0149235600000000 ] - [ 0.0003705600000000, 0.0000000000000000, -0.0055748400000000 ] - [ 0.0254366900000000, 0.0000000000000000, 0.0013296800000000 ] - [ 0.0039126700000000, 0.0000000000000000, 0.0007033700000000 ] - [ 0.0117756600000000, -0.0048324000000000, 0.0056412600000000 ] - [ 0.0117756600000000, 0.0048324000000000, 0.0056412600000000 ] - [ -0.0012958300000000, 0.0009248400000000, -0.0049499100000000 ] - [ -0.0012958300000000, -0.0009248400000000, -0.0049499100000000 ] - [ -0.0069629300000000, 0.0000413400000000, -0.0008440500000000 ] - [ -0.0069629300000000, -0.0000413400000000, -0.0008440500000000 ] - [ -0.0045253700000000, 0.0000000000000000, -0.0000199300000000 ] - [ -0.0036033400000000, 0.0000000000000000, -0.0002116900000000 ] - [ 0.0207223700000000, 0.0000000000000000, -0.0136777700000000 ] - [ 0.0092852900000000, 0.0000000000000000, -0.0077777400000000 ] - [ -0.0162515700000000, 0.0000000000000000, 0.0304147700000000 ] - [ 0.0048998300000000, 0.0000000000000000, 0.0142627200000000 ] - [ -0.0061584300000000, -0.0010772400000000, -0.0041723600000000 ] - [ -0.0061584300000000, 0.0010772400000000, -0.0041723600000000 ] - [ -0.0208964400000000, 0.0000000000000000, 0.1572321000000000 ] - [ -0.0126957500000000, 0.0000000000000000, 0.0185344800000000 ] - [ -0.0082655500000000, 0.0035850300000000, 0.0072442100000000 ] - [ -0.0082655500000000, -0.0035850300000000, 0.0072442100000000 ] - [ -0.0167962800000000, 0.0000000000000000, 0.0110679000000000 ] - [ -0.0054191100000000, 0.0000000000000000, 0.0074383400000000 ] - [ -0.0048746300000000, -0.0000662000000000, -0.0029692700000000 ] - [ -0.0048746300000000, 0.0000662000000000, -0.0029692700000000 ] - [ -0.0050770400000000, -0.0000703700000000, -0.0035048800000000 ] - [ -0.0050770400000000, 0.0000703700000000, -0.0035048800000000 ] - [ 0.0027602600000000, 0.0000000000000000, -0.0238758100000000 ] - [ 0.0030872600000000, 0.0000000000000000, -0.0103666400000000 ] - [ -0.0060636600000000, -0.0000372900000000, -0.0002350200000000 ] - [ -0.0060636600000000, 0.0000372900000000, -0.0002350200000000 ] - [ 0.0066782000000000, 0.0000000000000000, -0.0060631700000000 ] - [ 0.0057819800000000, 0.0000000000000000, -0.0036913200000000 ] - [ 0.0023919600000000, 0.0009722300000000, 0.0008216700000000 ] - [ 0.0023919600000000, -0.0009722300000000, 0.0008216700000000 ] - [ -0.0036348300000000, 0.0000000000000000, 0.0097273300000000 ] - [ -0.0011060500000000, 0.0000000000000000, 0.0044159100000000 ] - [ 0.0051520400000000, 0.0000000000000000, 0.0020261000000000 ] - [ 0.0051547500000000, 0.0000000000000000, 0.0019530000000000 ] - [ 0.0013456900000000, 0.0000000000000000, 0.0110154300000000 ] - [ 0.0005960600000000, 0.0000000000000000, 0.0057835400000000 ] - [ -0.0026185600000000, 0.0013688300000000, 0.0029879600000000 ] - [ -0.0026185600000000, -0.0013688300000000, 0.0029879600000000 ] - [ 0.0041022200000000, -0.0000038500000000, 0.0003800100000000 ] - [ 0.0041022200000000, 0.0000038500000000, 0.0003800100000000 ] - [ -0.0064356500000000, 0.0002458700000000, 0.0003188300000000 ] - [ -0.0064356500000000, -0.0002458700000000, 0.0003188300000000 ] - [ -0.0065457600000000, 0.0000000000000000, 0.0306350500000000 ] - [ -0.0027687200000000, 0.0000000000000000, 0.0042107400000000 ] - [ 0.0004709300000000, 0.0000835800000000, 0.0024376500000000 ] - [ 0.0004709300000000, -0.0000835800000000, 0.0024376500000000 ] - [ 0.0039956900000000, 0.0000000000000000, 0.0000493800000000 ] - [ 0.0039896400000000, 0.0000000000000000, 0.0000426100000000 ] - [ -0.0162267000000000, 0.0000000000000000, 0.0035288000000000 ] - [ -0.0043175700000000, 0.0000000000000000, 0.0008423600000000 ] - [ -0.0005091600000000, 0.0024879800000000, 0.0019839000000000 ] - [ -0.0005091600000000, -0.0024879800000000, 0.0019839000000000 ] - [ -0.0046911800000000, 0.0376670800000000, 0.0057339700000000 ] - [ -0.0046911800000000, -0.0376670800000000, 0.0057339700000000 ] - [ 0.0045719900000000, 0.0000000000000000, 0.0031109300000000 ] - [ 0.0027295100000000, 0.0000000000000000, 0.0022576600000000 ] - [ -0.0005761000000000, 0.0003777300000000, -0.0102686900000000 ] - [ -0.0005761000000000, -0.0003777300000000, -0.0102686900000000 ] - [ 0.0384602000000000, 0.0000000000000000, 0.0069755300000000 ] - [ 0.0064105600000000, 0.0000000000000000, 0.0000063600000000 ] - [ 0.0039594400000000, 0.0000910500000000, 0.0001667000000000 ] - [ 0.0039594400000000, -0.0000910500000000, 0.0001667000000000 ] - [ 0.0040871400000000, -0.0001474700000000, -0.0008736300000000 ] - [ 0.0040871400000000, 0.0001474700000000, -0.0008736300000000 ] - [ 0.0021116800000000, 0.0016207100000000, -0.0025097200000000 ] - [ 0.0021116800000000, -0.0016207100000000, -0.0025097200000000 ] - [ 0.0289381900000000, 0.0000000000000000, -0.3131031500000000 ] - [ 0.0006716400000000, 0.0000000000000000, -0.0304862400000000 ] - [ 0.0057235300000000, 0.0000000000000000, -0.0003430600000000 ] - [ -0.0019504900000000, 0.0000000000000000, -0.0021731700000000 ] - [ -0.0019769500000000, 0.0000000000000000, -0.0088712300000000 ] - [ -0.0006470400000000, 0.0000000000000000, -0.0042370100000000 ] - [ 0.0004651100000000, -0.0000014500000000, 0.0016687000000000 ] - [ 0.0004651100000000, 0.0000014500000000, 0.0016687000000000 ] - [ 0.0148644200000000, -0.0307477100000000, 0.0077300400000000 ] - [ 0.0148644200000000, 0.0307477100000000, 0.0077300400000000 ] - [ 0.0021115400000000, -0.0004859600000000, 0.0027244000000000 ] - [ 0.0021115400000000, 0.0004859600000000, 0.0027244000000000 ] - [ 0.0014730100000000, 0.0000000000000000, 0.0013442500000000 ] - [ 0.0014111500000000, 0.0000000000000000, 0.0012439800000000 ] - [ -0.0399813800000000, 0.0000000000000000, 0.0192796600000000 ] - [ -0.0032349800000000, 0.0000000000000000, -0.0006477800000000 ] - [ 0.0054139500000000, 0.0000000000000000, 0.0004996200000000 ] - [ 0.0027880400000000, 0.0000000000000000, -0.0000841700000000 ] - [ 0.0025720100000000, -0.0000298800000000, 0.0011378600000000 ] - [ 0.0025720100000000, 0.0000298800000000, 0.0011378600000000 ] - [ 0.0045269400000000, 0.0000000000000000, 0.0471973700000000 ] - [ -0.0006237700000000, 0.0000000000000000, 0.0081248400000000 ] - [ 0.0000536400000000, -0.0028712000000000, -0.0003495600000000 ] - [ 0.0000536400000000, 0.0028712000000000, -0.0003495600000000 ] - [ 0.0006577000000000, 0.0001472100000000, 0.0005115000000000 ] - [ 0.0006577000000000, -0.0001472100000000, 0.0005115000000000 ] - [ -0.0008553800000000, 0.0000000000000000, 0.0018190300000000 ] - [ -0.0024865500000000, 0.0000000000000000, 0.0013776200000000 ] - [ 0.0048352800000000, 0.0000000000000000, -0.0010925100000000 ] - [ 0.0046768300000000, 0.0000000000000000, -0.0011261600000000 ] - [ 0.0022869100000000, -0.0022103800000000, 0.0041807200000000 ] - [ 0.0022869100000000, 0.0022103800000000, 0.0041807200000000 ] - [ 0.0004820300000000, 0.0000000000000000, 0.0005452700000000 ] - [ 0.0003744900000000, 0.0000000000000000, 0.0007733500000000 ] - [ 0.0026116700000000, -0.0001011300000000, 0.0017359200000000 ] - [ 0.0026116700000000, 0.0001011300000000, 0.0017359200000000 ] - [ -0.0132080200000000, 0.0000000000000000, 0.0018665600000000 ] - [ -0.0075010300000000, 0.0000000000000000, 0.0009894100000000 ] - [ -0.0085709400000000, 0.0000000000000000, -0.0000748000000000 ] - [ -0.0048990300000000, 0.0000000000000000, -0.0000465000000000 ] - [ 0.0003263700000000, 0.0000000000000000, 0.0021572500000000 ] - [ -0.0003155200000000, 0.0000000000000000, -0.0005678400000000 ] - [ -0.0000863900000000, 0.0000137900000000, 0.0003022600000000 ] - [ -0.0000863900000000, -0.0000137900000000, 0.0003022600000000 ] - [ -0.0047683300000000, 0.0003069400000000, -0.0001144200000000 ] - [ -0.0047683300000000, -0.0003069400000000, -0.0001144200000000 ] - [ -0.0001065400000000, -0.0000795600000000, 0.0002108400000000 ] - [ -0.0001065400000000, 0.0000795600000000, 0.0002108400000000 ]- atom: 73 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0123856500000000, 0.0000000000000000, 0.0126215800000000 ] - [ 0.0040223200000000, 0.0000000000000000, 0.0032371100000000 ] - [ -0.0328116200000000, 0.0000000000000000, -0.0015126200000000 ] - [ -0.0109581600000000, 0.0000000000000000, -0.0008351500000000 ] - [ -0.0145522400000000, 0.0048631400000000, -0.0056249000000000 ] - [ -0.0145522400000000, -0.0048631400000000, -0.0056249000000000 ] - [ 0.0057033100000000, -0.0009334200000000, 0.0025812600000000 ] - [ 0.0057033100000000, 0.0009334200000000, 0.0025812600000000 ] - [ -0.0000721900000000, -0.0000393300000000, 0.0007267900000000 ] - [ -0.0000721900000000, 0.0000393300000000, 0.0007267900000000 ] - [ 0.0018527400000000, 0.0000000000000000, -0.0000572900000000 ] - [ 0.0009233900000000, 0.0000000000000000, 0.0001285000000000 ] - [ -0.0217909700000000, 0.0000000000000000, 0.0101123300000000 ] - [ -0.0103661700000000, 0.0000000000000000, 0.0041639700000000 ] - [ 0.0090625700000000, 0.0000000000000000, -0.0369708900000000 ] - [ -0.0115111600000000, 0.0000000000000000, -0.0159942900000000 ] - [ 0.0038003800000000, 0.0010790500000000, -0.0002232600000000 ] - [ 0.0038003800000000, -0.0010790500000000, -0.0002232600000000 ] - [ 0.0128724900000000, 0.0000000000000000, -0.1422411500000000 ] - [ 0.0048716500000000, 0.0000000000000000, -0.0147081200000000 ] - [ 0.0155045100000000, -0.0035525200000000, -0.0079213400000000 ] - [ 0.0155045100000000, 0.0035525200000000, -0.0079213400000000 ] - [ 0.0150724700000000, 0.0000000000000000, -0.0056627200000000 ] - [ 0.0036810900000000, 0.0000000000000000, -0.0020523000000000 ] - [ 0.0038413300000000, 0.0000640100000000, -0.0006952400000000 ] - [ 0.0038413300000000, -0.0000640100000000, -0.0006952400000000 ] - [ -0.0015014900000000, 0.0000681300000000, 0.0019182300000000 ] - [ -0.0015014900000000, -0.0000681300000000, 0.0019182300000000 ] - [ -0.0051146800000000, 0.0000000000000000, 0.0196200000000000 ] - [ -0.0054652500000000, 0.0000000000000000, 0.0059969300000000 ] - [ -0.0017540500000000, 0.0000329800000000, 0.0039689900000000 ] - [ -0.0017540500000000, -0.0000329800000000, 0.0039689900000000 ] - [ 0.0004724100000000, 0.0000000000000000, 0.0055142600000000 ] - [ 0.0013986200000000, 0.0000000000000000, 0.0031309900000000 ] - [ -0.0042079400000000, -0.0009786500000000, 0.0045920900000000 ] - [ -0.0042079400000000, 0.0009786500000000, 0.0045920900000000 ] - [ 0.0034170000000000, 0.0000000000000000, -0.0090502600000000 ] - [ 0.0008707000000000, 0.0000000000000000, -0.0036836200000000 ] - [ 0.0048083500000000, 0.0000000000000000, 0.0008789600000000 ] - [ 0.0048022700000000, 0.0000000000000000, 0.0009518100000000 ] - [ -0.0000931300000000, 0.0000000000000000, -0.0093795900000000 ] - [ 0.0006561500000000, 0.0000000000000000, -0.0041060600000000 ] - [ 0.0038769400000000, -0.0013557500000000, -0.0012018700000000 ] - [ 0.0038769400000000, 0.0013557500000000, -0.0012018700000000 ] - [ 0.0000376700000000, 0.0000039000000000, -0.0001226200000000 ] - [ 0.0000376700000000, -0.0000039000000000, -0.0001226200000000 ] - [ 0.0067544600000000, -0.0002448300000000, -0.0003611300000000 ] - [ 0.0067544600000000, 0.0002448300000000, -0.0003611300000000 ] - [ 0.0051729800000000, 0.0000000000000000, -0.0302713500000000 ] - [ 0.0014197200000000, 0.0000000000000000, -0.0041352900000000 ] - [ -0.0006100500000000, -0.0000832000000000, -0.0025905100000000 ] - [ -0.0006100500000000, 0.0000832000000000, -0.0025905100000000 ] - [ 0.0025100800000000, 0.0000000000000000, -0.0003492100000000 ] - [ 0.0025164300000000, 0.0000000000000000, -0.0003429700000000 ] - [ 0.0154547700000000, 0.0000000000000000, -0.0032930200000000 ] - [ 0.0035857700000000, 0.0000000000000000, -0.0005949200000000 ] - [ -0.0056153100000000, -0.0025062800000000, -0.0008566300000000 ] - [ -0.0056153100000000, 0.0025062800000000, -0.0008566300000000 ] - [ 0.0126026800000000, -0.0374921700000000, -0.0086108500000000 ] - [ 0.0126026800000000, 0.0374921700000000, -0.0086108500000000 ] - [ -0.0015400700000000, 0.0000000000000000, 0.0014040900000000 ] - [ 0.0003126600000000, 0.0000000000000000, 0.0022613200000000 ] - [ 0.0010394500000000, -0.0004139200000000, 0.0114035400000000 ] - [ 0.0010394500000000, 0.0004139200000000, 0.0114035400000000 ] - [ -0.0352071100000000, 0.0000000000000000, -0.0065529600000000 ] - [ -0.0034625800000000, 0.0000000000000000, 0.0006265600000000 ] - [ -0.0034693400000000, -0.0000910100000000, -0.0000117000000000 ] - [ -0.0034693400000000, 0.0000910100000000, -0.0000117000000000 ] - [ -0.0050723900000000, 0.0001482700000000, 0.0006190600000000 ] - [ -0.0050723900000000, -0.0001482700000000, 0.0006190600000000 ] - [ -0.0019427800000000, -0.0016187400000000, -0.0021887100000000 ] - [ -0.0019427800000000, 0.0016187400000000, -0.0021887100000000 ] - [ -0.0294058100000000, 0.0000000000000000, 0.3050459100000000 ] - [ -0.0012738800000000, 0.0000000000000000, 0.0281095500000000 ] - [ -0.0158138600000000, 0.0000000000000000, -0.0010344100000000 ] - [ -0.0081459300000000, 0.0000000000000000, 0.0007385500000000 ] - [ 0.0015490500000000, 0.0000000000000000, 0.0092944400000000 ] - [ 0.0002359700000000, 0.0000000000000000, 0.0046261000000000 ] - [ -0.0007027700000000, 0.0000011900000000, -0.0009108800000000 ] - [ -0.0007027700000000, -0.0000011900000000, -0.0009108800000000 ] - [ -0.0050204900000000, 0.0310413200000000, -0.0047234800000000 ] - [ -0.0050204900000000, -0.0310413200000000, -0.0047234800000000 ] - [ -0.0008685400000000, 0.0004849000000000, -0.0010088400000000 ] - [ -0.0008685400000000, -0.0004849000000000, -0.0010088400000000 ] - [ -0.0002314500000000, 0.0000000000000000, 0.0004794000000000 ] - [ -0.0001699900000000, 0.0000000000000000, 0.0005740600000000 ] - [ 0.0450284700000000, 0.0000000000000000, -0.0193711800000000 ] - [ 0.0073955100000000, 0.0000000000000000, 0.0009216700000000 ] - [ -0.0051694200000000, 0.0000000000000000, -0.0005270000000000 ] - [ -0.0025242600000000, 0.0000000000000000, 0.0000517700000000 ] - [ -0.0039324500000000, 0.0000303700000000, -0.0010359500000000 ] - [ -0.0039324500000000, -0.0000303700000000, -0.0010359500000000 ] - [ -0.0046950300000000, 0.0000000000000000, -0.0478538700000000 ] - [ 0.0004833100000000, 0.0000000000000000, -0.0082992700000000 ] - [ 0.0064652900000000, 0.0029574100000000, 0.0000599800000000 ] - [ 0.0064652900000000, -0.0029574100000000, 0.0000599800000000 ] - [ -0.0014033700000000, -0.0001344100000000, -0.0002449000000000 ] - [ -0.0014033700000000, 0.0001344100000000, -0.0002449000000000 ] - [ -0.0052893000000000, 0.0000000000000000, -0.0006847200000000 ] - [ -0.0036436200000000, 0.0000000000000000, -0.0002415100000000 ] - [ 0.0030627800000000, 0.0000000000000000, -0.0016951400000000 ] - [ 0.0032130100000000, 0.0000000000000000, -0.0016616400000000 ] - [ 0.0007454600000000, 0.0022343700000000, 0.0003268000000000 ] - [ 0.0007454600000000, -0.0022343700000000, 0.0003268000000000 ] - [ -0.0000656800000000, 0.0000000000000000, 0.0005683000000000 ] - [ 0.0000389200000000, 0.0000000000000000, 0.0003781500000000 ] - [ 0.0003624000000000, 0.0001017000000000, -0.0010882200000000 ] - [ 0.0003624000000000, -0.0001017000000000, -0.0010882200000000 ] - [ 0.0137595500000000, 0.0000000000000000, -0.0017254600000000 ] - [ 0.0080296500000000, 0.0000000000000000, -0.0008403900000000 ] - [ 0.0076954500000000, 0.0000000000000000, -0.0001780800000000 ] - [ 0.0039407900000000, 0.0000000000000000, -0.0002146200000000 ] - [ -0.0001505700000000, 0.0000000000000000, -0.0068896000000000 ] - [ 0.0004976300000000, 0.0000000000000000, -0.0041428500000000 ] - [ -0.0005148400000000, -0.0000137200000000, -0.0027339800000000 ] - [ -0.0005148400000000, 0.0000137200000000, -0.0027339800000000 ] - [ -0.0052872300000000, -0.0003048000000000, -0.0013367100000000 ] - [ -0.0052872300000000, 0.0003048000000000, -0.0013367100000000 ] - [ -0.0002927200000000, 0.0000801300000000, 0.0001535900000000 ] - [ -0.0002927200000000, -0.0000801300000000, 0.0001535900000000 ]- atom: 75 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0010688900000000, 0.0000000000000000, -0.0022119800000000 ] - [ 0.0015161100000000, 0.0000000000000000, -0.0016636100000000 ] - [ -0.0155996100000000, 0.0000000000000000, -0.0009765700000000 ] - [ -0.0058509000000000, 0.0000000000000000, -0.0000558600000000 ] - [ 0.0005191900000000, -0.0004992800000000, 0.0064155800000000 ] - [ 0.0005191900000000, 0.0004992800000000, 0.0064155800000000 ] - [ 0.0036119500000000, -0.0007617300000000, -0.0076777500000000 ] - [ 0.0036119500000000, 0.0007617300000000, -0.0076777500000000 ] - [ -0.0099052800000000, 0.0006591900000000, -0.0005133900000000 ] - [ -0.0099052800000000, -0.0006591900000000, -0.0005133900000000 ] - [ -0.0032757500000000, 0.0000000000000000, -0.0014028900000000 ] - [ -0.0030014400000000, 0.0000000000000000, -0.0012598600000000 ] - [ -0.0008955300000000, 0.0000000000000000, 0.0013420700000000 ] - [ 0.0003220800000000, 0.0000000000000000, 0.0004772800000000 ] - [ -0.0101742700000000, 0.0000000000000000, 0.0057024800000000 ] - [ 0.0057648100000000, 0.0000000000000000, -0.0003617300000000 ] - [ -0.0032446100000000, -0.0001512600000000, -0.0035693700000000 ] - [ -0.0032446100000000, 0.0001512600000000, -0.0035693700000000 ] - [ -0.0016900500000000, 0.0000000000000000, -0.0075154600000000 ] - [ -0.0020518900000000, 0.0000000000000000, -0.0002257100000000 ] - [ 0.0400130400000000, -0.0209451000000000, 0.0006452000000000 ] - [ 0.0400130400000000, 0.0209451000000000, 0.0006452000000000 ] - [ -0.0036855000000000, 0.0000000000000000, -0.0000468300000000 ] - [ -0.0025005700000000, 0.0000000000000000, 0.0010594500000000 ] - [ -0.0028489200000000, 0.0000143500000000, -0.0041568700000000 ] - [ -0.0028489200000000, -0.0000143500000000, -0.0041568700000000 ] - [ -0.0063040600000000, -0.0000925600000000, -0.0016431000000000 ] - [ -0.0063040600000000, 0.0000925600000000, -0.0016431000000000 ] - [ 0.0028671700000000, 0.0000000000000000, 0.0093259000000000 ] - [ 0.0023456600000000, 0.0000000000000000, 0.0010679200000000 ] - [ -0.0049994300000000, -0.0000561800000000, 0.0007301400000000 ] - [ -0.0049994300000000, 0.0000561800000000, 0.0007301400000000 ] - [ -0.0000983100000000, 0.0000000000000000, -0.0011344200000000 ] - [ 0.0009759800000000, 0.0000000000000000, -0.0010449400000000 ] - [ -0.0008873800000000, -0.0003204600000000, 0.0052604600000000 ] - [ -0.0008873800000000, 0.0003204600000000, 0.0052604600000000 ] - [ 0.0004074000000000, 0.0000000000000000, -0.0023831900000000 ] - [ -0.0000740600000000, 0.0000000000000000, -0.0013586400000000 ] - [ 0.0061614000000000, 0.0000000000000000, 0.0016722300000000 ] - [ 0.0059091200000000, 0.0000000000000000, 0.0016539200000000 ] - [ 0.0009640600000000, 0.0000000000000000, 0.0010655600000000 ] - [ 0.0008553100000000, 0.0000000000000000, 0.0010811100000000 ] - [ 0.0002864100000000, 0.0005969300000000, -0.0002464600000000 ] - [ 0.0002864100000000, -0.0005969300000000, -0.0002464600000000 ] - [ 0.0052049000000000, -0.0000710500000000, 0.0001116100000000 ] - [ 0.0052049000000000, 0.0000710500000000, 0.0001116100000000 ] - [ 0.0000876300000000, 0.0000025700000000, -0.0006303100000000 ] - [ 0.0000876300000000, -0.0000025700000000, -0.0006303100000000 ] - [ -0.0003334800000000, 0.0000000000000000, 0.0008994800000000 ] - [ -0.0006712300000000, 0.0000000000000000, 0.0003757100000000 ] - [ 0.0002571600000000, 0.0000187900000000, 0.0010655900000000 ] - [ 0.0002571600000000, -0.0000187900000000, 0.0010655900000000 ] - [ 0.0049844800000000, 0.0000000000000000, 0.0000296400000000 ] - [ 0.0047523500000000, 0.0000000000000000, -0.0000435100000000 ] - [ -0.0027662400000000, 0.0000000000000000, -0.0010295600000000 ] - [ -0.0019030800000000, 0.0000000000000000, -0.0011343300000000 ] - [ -0.0023559100000000, 0.0002267800000000, 0.0007792900000000 ] - [ -0.0023559100000000, -0.0002267800000000, 0.0007792900000000 ] - [ 0.0022696400000000, 0.0013203000000000, -0.0010707700000000 ] - [ 0.0022696400000000, -0.0013203000000000, -0.0010707700000000 ] - [ 0.0021110900000000, 0.0000000000000000, 0.0028768100000000 ] - [ 0.0019552300000000, 0.0000000000000000, 0.0026909500000000 ] - [ -0.0028307000000000, -0.0017193700000000, -0.0095675000000000 ] - [ -0.0028307000000000, 0.0017193700000000, -0.0095675000000000 ] - [ 0.0033355800000000, 0.0000000000000000, 0.0014827500000000 ] - [ 0.0017464800000000, 0.0000000000000000, 0.0005899300000000 ] - [ 0.0022900500000000, 0.0000150800000000, 0.0002689500000000 ] - [ 0.0022900500000000, -0.0000150800000000, 0.0002689500000000 ] - [ 0.0039055500000000, -0.0076104900000000, 0.0000294700000000 ] - [ 0.0039055500000000, 0.0076104900000000, 0.0000294700000000 ] - [ 0.0004626500000000, 0.0003705500000000, -0.0016620000000000 ] - [ 0.0004626500000000, -0.0003705500000000, -0.0016620000000000 ] - [ 0.0030098100000000, 0.0000000000000000, 0.0132805000000000 ] - [ -0.0011021200000000, 0.0000000000000000, 0.0019175600000000 ] - [ -0.1044481800000000, 0.0000000000000000, -0.0011333700000000 ] - [ -0.0187242800000000, 0.0000000000000000, -0.0013953400000000 ] - [ 0.0008024600000000, 0.0000000000000000, 0.0029852800000000 ] - [ 0.0001429300000000, 0.0000000000000000, 0.0016231100000000 ] - [ 0.0005340300000000, -0.0000540500000000, 0.0024579500000000 ] - [ 0.0005340300000000, 0.0000540500000000, 0.0024579500000000 ] - [ 0.0102758900000000, 0.0225357700000000, 0.0007806200000000 ] - [ 0.0102758900000000, -0.0225357700000000, 0.0007806200000000 ] - [ -0.0016998000000000, -0.0026285300000000, 0.0117212200000000 ] - [ -0.0016998000000000, 0.0026285300000000, 0.0117212200000000 ] - [ 0.0011112000000000, 0.0000000000000000, 0.0016211300000000 ] - [ 0.0010819500000000, 0.0000000000000000, 0.0015537800000000 ] - [ 0.0353037300000000, 0.0000000000000000, -0.0041884600000000 ] - [ 0.0015301800000000, 0.0000000000000000, 0.0002730700000000 ] - [ 0.0025114500000000, 0.0000000000000000, 0.0002953200000000 ] - [ 0.0019712800000000, 0.0000000000000000, 0.0002067900000000 ] - [ 0.0004658200000000, 0.0000027000000000, 0.0009099800000000 ] - [ 0.0004658200000000, -0.0000027000000000, 0.0009099800000000 ] - [ 0.0048802600000000, 0.0000000000000000, -0.0180525400000000 ] - [ -0.0012458100000000, 0.0000000000000000, -0.0040642900000000 ] - [ 0.0044907900000000, 0.0019906800000000, -0.0000738400000000 ] - [ 0.0044907900000000, -0.0019906800000000, -0.0000738400000000 ] - [ 0.0002824300000000, 0.0000784800000000, 0.0007571000000000 ] - [ 0.0002824300000000, -0.0000784800000000, 0.0007571000000000 ] - [ -0.0071459200000000, 0.0000000000000000, 0.0010732800000000 ] - [ -0.0052962200000000, 0.0000000000000000, 0.0014611400000000 ] - [ 0.0045200400000000, 0.0000000000000000, -0.0011551400000000 ] - [ 0.0044558600000000, 0.0000000000000000, -0.0011613500000000 ] - [ 0.0000168100000000, 0.0010851200000000, 0.0013063600000000 ] - [ 0.0000168100000000, -0.0010851200000000, 0.0013063600000000 ] - [ 0.0006020900000000, 0.0000000000000000, 0.0018315600000000 ] - [ 0.0005311900000000, 0.0000000000000000, 0.0016527500000000 ] - [ 0.0018153100000000, 0.0000755000000000, 0.0007591500000000 ] - [ 0.0018153100000000, -0.0000755000000000, 0.0007591500000000 ] - [ 0.0011544400000000, 0.0000000000000000, -0.0009126400000000 ] - [ -0.0010042400000000, 0.0000000000000000, -0.0002562800000000 ] - [ 0.0047832500000000, 0.0000000000000000, 0.0001313100000000 ] - [ 0.0019876700000000, 0.0000000000000000, -0.0000392600000000 ] - [ -0.0003524000000000, 0.0000000000000000, -0.0041577900000000 ] - [ -0.0001705800000000, 0.0000000000000000, -0.0031857900000000 ] - [ -0.0000476100000000, 0.0000094200000000, -0.0007583200000000 ] - [ -0.0000476100000000, -0.0000094200000000, -0.0007583200000000 ] - [ -0.0039559900000000, 0.0002122800000000, -0.0005507000000000 ] - [ -0.0039559900000000, -0.0002122800000000, -0.0005507000000000 ] - [ 0.0001098000000000, -0.0000163000000000, -0.0017525000000000 ] - [ 0.0001098000000000, 0.0000163000000000, -0.0017525000000000 ]- atom: 75 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0033062900000000, 0.0000000000000000, -0.0001576500000000 ] - [ 0.0028684300000000, 0.0000000000000000, -0.0007127700000000 ] - [ 0.0083762600000000, 0.0000000000000000, 0.0008565100000000 ] - [ -0.0011890900000000, 0.0000000000000000, -0.0000514100000000 ] - [ -0.0031969000000000, 0.0004924500000000, -0.0063646800000000 ] - [ -0.0031969000000000, -0.0004924500000000, -0.0063646800000000 ] - [ 0.0007782400000000, 0.0007530700000000, 0.0052040400000000 ] - [ 0.0007782400000000, -0.0007530700000000, 0.0052040400000000 ] - [ 0.0028280700000000, -0.0006625300000000, 0.0003926100000000 ] - [ 0.0028280700000000, 0.0006625300000000, 0.0003926100000000 ] - [ 0.0005665000000000, 0.0000000000000000, 0.0013207800000000 ] - [ 0.0002898300000000, 0.0000000000000000, 0.0011679900000000 ] - [ -0.0001479100000000, 0.0000000000000000, -0.0049462400000000 ] - [ -0.0013478900000000, 0.0000000000000000, -0.0041059100000000 ] - [ 0.0053626300000000, 0.0000000000000000, -0.0071264900000000 ] - [ -0.0122625300000000, 0.0000000000000000, -0.0012206500000000 ] - [ 0.0008496300000000, 0.0001502800000000, -0.0008498100000000 ] - [ 0.0008496300000000, -0.0001502800000000, -0.0008498100000000 ] - [ -0.0060880900000000, 0.0000000000000000, 0.0111284300000000 ] - [ -0.0057340400000000, 0.0000000000000000, 0.0039537000000000 ] - [ -0.0324698000000000, 0.0214182000000000, -0.0012118500000000 ] - [ -0.0324698000000000, -0.0214182000000000, -0.0012118500000000 ] - [ 0.0018734100000000, 0.0000000000000000, 0.0053966700000000 ] - [ 0.0007026000000000, 0.0000000000000000, 0.0043132900000000 ] - [ 0.0017676600000000, -0.0000169300000000, 0.0004787600000000 ] - [ 0.0017676600000000, 0.0000169300000000, 0.0004787600000000 ] - [ -0.0002957800000000, 0.0000904300000000, 0.0000344000000000 ] - [ -0.0002957800000000, -0.0000904300000000, 0.0000344000000000 ] - [ -0.0051865900000000, 0.0000000000000000, -0.0136115300000000 ] - [ -0.0046708900000000, 0.0000000000000000, -0.0054498000000000 ] - [ -0.0028412200000000, 0.0000520700000000, 0.0029760900000000 ] - [ -0.0028412200000000, -0.0000520700000000, 0.0029760900000000 ] - [ 0.0072543400000000, 0.0000000000000000, 0.0005703200000000 ] - [ 0.0062017400000000, 0.0000000000000000, 0.0004641600000000 ] - [ -0.0009046600000000, 0.0003153100000000, 0.0001445700000000 ] - [ -0.0009046600000000, -0.0003153100000000, 0.0001445700000000 ] - [ -0.0006404400000000, 0.0000000000000000, 0.0030803600000000 ] - [ -0.0001670600000000, 0.0000000000000000, 0.0020945800000000 ] - [ 0.0038055600000000, 0.0000000000000000, 0.0012365000000000 ] - [ 0.0040539700000000, 0.0000000000000000, 0.0012546600000000 ] - [ 0.0002921600000000, 0.0000000000000000, 0.0005901200000000 ] - [ 0.0003989400000000, 0.0000000000000000, 0.0006244400000000 ] - [ 0.0009502100000000, -0.0005886700000000, 0.0020511600000000 ] - [ 0.0009502100000000, 0.0005886700000000, 0.0020511600000000 ] - [ -0.0010465200000000, 0.0000705700000000, 0.0001474300000000 ] - [ -0.0010465200000000, -0.0000705700000000, 0.0001474300000000 ] - [ 0.0001927300000000, -0.0000006200000000, 0.0005921400000000 ] - [ 0.0001927300000000, 0.0000006200000000, 0.0005921400000000 ] - [ -0.0009981000000000, 0.0000000000000000, -0.0007817100000000 ] - [ -0.0006922000000000, 0.0000000000000000, -0.0002769300000000 ] - [ -0.0003939700000000, -0.0000182000000000, -0.0011962100000000 ] - [ -0.0003939700000000, 0.0000182000000000, -0.0011962100000000 ] - [ 0.0015256800000000, 0.0000000000000000, -0.0003302500000000 ] - [ 0.0017617800000000, 0.0000000000000000, -0.0002559700000000 ] - [ 0.0019894200000000, 0.0000000000000000, 0.0012657400000000 ] - [ 0.0011387200000000, 0.0000000000000000, 0.0013789900000000 ] - [ -0.0037579700000000, -0.0002444100000000, 0.0003588000000000 ] - [ -0.0037579700000000, 0.0002444100000000, 0.0003588000000000 ] - [ 0.0056052000000000, -0.0012984900000000, -0.0017164200000000 ] - [ 0.0056052000000000, 0.0012984900000000, -0.0017164200000000 ] - [ 0.0009310700000000, 0.0000000000000000, 0.0016500000000000 ] - [ 0.0010931000000000, 0.0000000000000000, 0.0018348200000000 ] - [ 0.0032684900000000, 0.0016337500000000, 0.0104994700000000 ] - [ 0.0032684900000000, -0.0016337500000000, 0.0104994700000000 ] - [ -0.0003403600000000, 0.0000000000000000, -0.0008083800000000 ] - [ 0.0012148600000000, 0.0000000000000000, 0.0000640800000000 ] - [ -0.0017699500000000, -0.0000147500000000, -0.0001124400000000 ] - [ -0.0017699500000000, 0.0000147500000000, -0.0001124400000000 ] - [ -0.0049010400000000, 0.0077041900000000, -0.0002840300000000 ] - [ -0.0049010400000000, -0.0077041900000000, -0.0002840300000000 ] - [ -0.0002816200000000, -0.0003669900000000, -0.0030238800000000 ] - [ -0.0002816200000000, 0.0003669900000000, -0.0030238800000000 ] - [ -0.0035574400000000, 0.0000000000000000, -0.0154491500000000 ] - [ 0.0004900500000000, 0.0000000000000000, -0.0043282100000000 ] - [ 0.0912124600000000, 0.0000000000000000, -0.0002841400000000 ] - [ 0.0085667500000000, 0.0000000000000000, -0.0000566000000000 ] - [ -0.0011895900000000, 0.0000000000000000, -0.0025582200000000 ] - [ -0.0005444900000000, 0.0000000000000000, -0.0012467300000000 ] - [ -0.0007672300000000, 0.0000542600000000, -0.0016890200000000 ] - [ -0.0007672300000000, -0.0000542600000000, -0.0016890200000000 ] - [ -0.0003203100000000, -0.0222455600000000, 0.0021093600000000 ] - [ -0.0003203100000000, 0.0222455600000000, 0.0021093600000000 ] - [ 0.0029833900000000, 0.0025566500000000, -0.0098792600000000 ] - [ 0.0029833900000000, -0.0025566500000000, -0.0098792600000000 ] - [ 0.0001372000000000, 0.0000000000000000, 0.0002097000000000 ] - [ 0.0001665600000000, 0.0000000000000000, 0.0002686000000000 ] - [ -0.0304261200000000, 0.0000000000000000, 0.0043348400000000 ] - [ 0.0025864100000000, 0.0000000000000000, -0.0000151200000000 ] - [ -0.0022356600000000, 0.0000000000000000, -0.0003213500000000 ] - [ -0.0016696900000000, 0.0000000000000000, -0.0002363500000000 ] - [ -0.0017851000000000, -0.0000016100000000, -0.0007942700000000 ] - [ -0.0017851000000000, 0.0000016100000000, -0.0007942700000000 ] - [ -0.0049544800000000, 0.0000000000000000, 0.0176345200000000 ] - [ 0.0010944900000000, 0.0000000000000000, 0.0038895400000000 ] - [ 0.0020217800000000, -0.0019150000000000, -0.0002266000000000 ] - [ 0.0020217800000000, 0.0019150000000000, -0.0002266000000000 ] - [ -0.0010164700000000, -0.0000608700000000, -0.0004839600000000 ] - [ -0.0010164700000000, 0.0000608700000000, -0.0004839600000000 ] - [ 0.0009837600000000, 0.0000000000000000, 0.0000788300000000 ] - [ -0.0008520200000000, 0.0000000000000000, -0.0003097100000000 ] - [ 0.0033897200000000, 0.0000000000000000, -0.0016282100000000 ] - [ 0.0034421600000000, 0.0000000000000000, -0.0016224600000000 ] - [ 0.0030072500000000, -0.0010724700000000, 0.0032067800000000 ] - [ 0.0030072500000000, 0.0010724700000000, 0.0032067800000000 ] - [ -0.0001795400000000, 0.0000000000000000, -0.0007224800000000 ] - [ -0.0001130700000000, 0.0000000000000000, -0.0004918100000000 ] - [ 0.0011665900000000, -0.0000752200000000, -0.0000946100000000 ] - [ 0.0011665900000000, 0.0000752200000000, -0.0000946100000000 ] - [ -0.0006487700000000, 0.0000000000000000, 0.0010574200000000 ] - [ 0.0014809800000000, 0.0000000000000000, 0.0004077300000000 ] - [ -0.0056732900000000, 0.0000000000000000, -0.0003879800000000 ] - [ -0.0029543200000000, 0.0000000000000000, -0.0002218500000000 ] - [ 0.0005264900000000, 0.0000000000000000, -0.0005569100000000 ] - [ 0.0003467400000000, 0.0000000000000000, -0.0015147700000000 ] - [ -0.0005530700000000, -0.0000093000000000, -0.0016574200000000 ] - [ -0.0005530700000000, 0.0000093000000000, -0.0016574200000000 ] - [ -0.0060912300000000, -0.0002115300000000, -0.0008966800000000 ] - [ -0.0060912300000000, 0.0002115300000000, -0.0008966800000000 ] - [ -0.0005101000000000, 0.0000169300000000, 0.0021157800000000 ] - [ -0.0005101000000000, -0.0000169300000000, 0.0021157800000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022088500000000, 0.0001411900000000, -0.0011642300000000 ] - [ 0.0022025300000000, -0.0001417800000000, -0.0011798600000000 ] - [ -0.0034005200000000, 0.0004091200000000, -0.0000448300000000 ] - [ -0.0034993900000000, -0.0002551400000000, -0.0000539400000000 ] - [ -0.0003070000000000, 0.0001697800000000, -0.0174567900000000 ] - [ -0.0024253500000000, 0.0001409200000000, 0.0173049700000000 ] - [ 0.0008422300000000, 0.0007022700000000, 0.0179466300000000 ] - [ 0.0035114300000000, 0.0006695500000000, -0.0202219400000000 ] - [ 0.0128101300000000, 0.0000250500000000, 0.0014906600000000 ] - [ -0.0195507400000000, 0.0000103400000000, -0.0015848400000000 ] - [ -0.0013229500000000, 0.0004412900000000, -0.0000179000000000 ] - [ -0.0013303600000000, -0.0004399900000000, -0.0000251000000000 ] - [ -0.0005105800000000, 0.0013593400000000, -0.0018522900000000 ] - [ -0.0005288800000000, -0.0013630900000000, -0.0018488400000000 ] - [ -0.0026821200000000, 0.0182223000000000, -0.0008487200000000 ] - [ -0.0033303300000000, -0.0165539900000000, -0.0008012100000000 ] - [ -0.0007239200000000, 0.0000034300000000, -0.0020970400000000 ] - [ -0.0015941400000000, -0.0000024600000000, -0.0022754400000000 ] - [ -0.0039193400000000, 0.0021087200000000, 0.0019837100000000 ] - [ -0.0039183700000000, -0.0021977500000000, 0.0018758200000000 ] - [ -0.0271441300000000, 0.0523849100000000, -0.0017632400000000 ] - [ 0.0323662700000000, 0.0457424500000000, 0.0010611000000000 ] - [ -0.0008559100000000, 0.0000965800000000, 0.0027222400000000 ] - [ -0.0008755300000000, -0.0000969600000000, 0.0027107600000000 ] - [ 0.0017121700000000, 0.0000095300000000, -0.0002450800000000 ] - [ -0.0027219900000000, 0.0000077700000000, -0.0033619500000000 ] - [ -0.0025870400000000, 0.0000170500000000, -0.0005522600000000 ] - [ -0.0039073400000000, 0.0000148000000000, -0.0010258900000000 ] - [ -0.0012087000000000, 0.0019714600000000, -0.0023528700000000 ] - [ -0.0012120200000000, -0.0019604600000000, -0.0022280800000000 ] - [ -0.0029955800000000, 0.0000019900000000, 0.0033508700000000 ] - [ -0.0048058100000000, 0.0000021400000000, 0.0003891100000000 ] - [ 0.0036407600000000, 0.0001890000000000, -0.0002678200000000 ] - [ 0.0036312600000000, -0.0001957700000000, -0.0002766300000000 ] - [ 0.0019112200000000, 0.0000190700000000, 0.0013887000000000 ] - [ -0.0037134600000000, 0.0000026300000000, 0.0039319700000000 ] - [ -0.0001275200000000, -0.0001082600000000, 0.0003919300000000 ] - [ -0.0001222400000000, 0.0001087400000000, 0.0003911300000000 ] - [ 0.0049655700000000, -0.0002562700000000, 0.0014512000000000 ] - [ 0.0049689700000000, 0.0002338700000000, 0.0014514700000000 ] - [ 0.0006230300000000, -0.0000266800000000, 0.0008283800000000 ] - [ 0.0006241000000000, 0.0000272500000000, 0.0008496800000000 ] - [ 0.0010222600000000, 0.0000445900000000, 0.0024250100000000 ] - [ 0.0002248400000000, 0.0000628900000000, -0.0005690500000000 ] - [ 0.0002979600000000, -0.0000190200000000, 0.0000194600000000 ] - [ 0.0037394100000000, -0.0000173200000000, 0.0002387700000000 ] - [ -0.0047075800000000, -0.0001083200000000, 0.0007595200000000 ] - [ 0.0049808100000000, -0.0001015000000000, -0.0007803500000000 ] - [ -0.0006781600000000, -0.0001847500000000, 0.0000404800000000 ] - [ -0.0006843000000000, 0.0001817100000000, 0.0000455600000000 ] - [ -0.0001295600000000, 0.0000000500000000, -0.0002146900000000 ] - [ -0.0000161100000000, 0.0000003600000000, 0.0000457400000000 ] - [ 0.0032210500000000, -0.0073191700000000, -0.0001532000000000 ] - [ 0.0032171200000000, 0.0077185000000000, -0.0001519100000000 ] - [ -0.0003503000000000, -0.0062319400000000, 0.0001268500000000 ] - [ -0.0003560600000000, 0.0061970100000000, 0.0001386900000000 ] - [ -0.0031707700000000, -0.0000127800000000, 0.0005642200000000 ] - [ -0.0029634800000000, 0.0000123000000000, 0.0005702200000000 ] - [ 0.0052638800000000, 0.0001332200000000, -0.0007810000000000 ] - [ 0.0026734700000000, 0.0001722800000000, -0.0020152900000000 ] - [ 0.0015134500000000, -0.0001765400000000, 0.0022518900000000 ] - [ 0.0015195900000000, 0.0001772100000000, 0.0022555900000000 ] - [ -0.0009784200000000, 0.0111975200000000, 0.0333990400000000 ] - [ 0.0014288200000000, 0.0112322700000000, -0.0318991600000000 ] - [ 0.0014580400000000, -0.0000884300000000, 0.0003097500000000 ] - [ 0.0014805400000000, 0.0001094400000000, 0.0003196000000000 ] - [ -0.0005452200000000, -0.0000009700000000, -0.0000171400000000 ] - [ 0.0009986900000000, -0.0000004800000000, 0.0001718600000000 ] - [ -0.0319081500000000, -0.0006856100000000, 0.0003998800000000 ] - [ 0.0302380000000000, -0.0005857000000000, -0.0006363200000000 ] - [ 0.0000637500000000, -0.0000050600000000, -0.0024154600000000 ] - [ 0.0001026700000000, 0.0000077000000000, -0.0022959500000000 ] - [ -0.0003509700000000, -0.0014882800000000, -0.0013690000000000 ] - [ -0.0002950000000000, 0.0013075500000000, -0.0012250000000000 ] - [ -0.0032408800000000, -0.2578508800000000, -0.0006476200000000 ] - [ -0.0048845800000000, 0.0698280800000000, -0.0007197000000000 ] - [ -0.0002156800000000, -0.0000222800000000, 0.0001630100000000 ] - [ -0.0002082100000000, 0.0000220700000000, 0.0001694300000000 ] - [ -0.0011401200000000, -0.0000052200000000, -0.0012491700000000 ] - [ 0.0008838200000000, -0.0000024300000000, 0.0019429500000000 ] - [ 0.0269089200000000, 0.0235378500000000, 0.0013420700000000 ] - [ -0.0166353800000000, 0.0235229400000000, 0.0015621300000000 ] - [ -0.0010311800000000, 0.0092652600000000, -0.0343468900000000 ] - [ 0.0022997200000000, 0.0093170500000000, 0.0356322600000000 ] - [ 0.0006158000000000, -0.0012591800000000, 0.0009085300000000 ] - [ 0.0006160900000000, 0.0012539500000000, 0.0009059100000000 ] - [ 0.0017821000000000, -0.0001093100000000, 0.0001649200000000 ] - [ 0.0020834200000000, 0.0006898300000000, 0.0001271000000000 ] - [ 0.0000961000000000, -0.0000470300000000, -0.0000183900000000 ] - [ 0.0001201000000000, 0.0000484800000000, -0.0000177100000000 ] - [ -0.0036508800000000, -0.0000771300000000, -0.0016040300000000 ] - [ 0.0022843100000000, -0.0000732800000000, 0.0016924800000000 ] - [ -0.0001437500000000, -0.0019341500000000, 0.0001265200000000 ] - [ -0.0000611500000000, 0.0012018000000000, -0.0000452700000000 ] - [ 0.0033245600000000, 0.0000808800000000, -0.0001336100000000 ] - [ 0.0031402600000000, 0.0000941600000000, -0.0001695400000000 ] - [ -0.0007066200000000, 0.0000062800000000, -0.0001830700000000 ] - [ -0.0000456600000000, -0.0000060100000000, 0.0004383500000000 ] - [ -0.0030245300000000, -0.0096899400000000, 0.0005796500000000 ] - [ -0.0030389900000000, 0.0088269400000000, 0.0005697800000000 ] - [ 0.0039486700000000, -0.0008698500000000, -0.0013969200000000 ] - [ 0.0039453600000000, 0.0008654300000000, -0.0013969500000000 ] - [ 0.0023179600000000, 0.0000700500000000, 0.0021876300000000 ] - [ 0.0007594600000000, 0.0001079200000000, 0.0023554600000000 ] - [ 0.0002062100000000, -0.0000584200000000, 0.0005306200000000 ] - [ 0.0002055100000000, 0.0000591700000000, 0.0005570200000000 ] - [ 0.0008821400000000, 0.0000148800000000, -0.0005243300000000 ] - [ 0.0020912600000000, 0.0000163300000000, 0.0011638900000000 ] - [ 0.0002254800000000, -0.0002718800000000, 0.0000926100000000 ] - [ 0.0002615600000000, 0.0003139000000000, 0.0000826400000000 ] - [ -0.0005354700000000, -0.0000303400000000, -0.0001326200000000 ] - [ -0.0005189800000000, 0.0000295800000000, -0.0001314100000000 ] - [ 0.0000924700000000, -0.0021068900000000, -0.0023222400000000 ] - [ 0.0000901700000000, 0.0020824300000000, -0.0023380700000000 ] - [ -0.0004282100000000, -0.0000014400000000, -0.0016401000000000 ] - [ -0.0001767600000000, -0.0000014700000000, -0.0007869700000000 ] - [ -0.0052553900000000, 0.0000046100000000, -0.0007492800000000 ] - [ -0.0048306200000000, 0.0000113900000000, -0.0007076000000000 ] - [ -0.0010574900000000, -0.0000099500000000, 0.0011714100000000 ] - [ 0.0006415800000000, -0.0000068300000000, -0.0007370400000000 ]- atom: 75 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0022288200000000, 0.0000000000000000, -0.0014337400000000 ] - [ 0.0020411200000000, 0.0000000000000000, -0.0014924600000000 ] - [ 0.0023028500000000, 0.0000000000000000, 0.0004985300000000 ] - [ -0.0023566000000000, 0.0000000000000000, -0.0001944000000000 ] - [ -0.0004080900000000, 0.0001432200000000, -0.0090461100000000 ] - [ -0.0004080900000000, -0.0001432200000000, -0.0090461100000000 ] - [ 0.0011175000000000, 0.0004360700000000, -0.0033404500000000 ] - [ 0.0011175000000000, -0.0004360700000000, -0.0033404500000000 ] - [ -0.0006112600000000, -0.0003191800000000, 0.0008414800000000 ] - [ -0.0006112600000000, 0.0003191800000000, 0.0008414800000000 ] - [ -0.0010404500000000, 0.0000000000000000, 0.0002552800000000 ] - [ -0.0011279000000000, 0.0000000000000000, 0.0001880200000000 ] - [ 0.0015453100000000, 0.0000000000000000, -0.0048955700000000 ] - [ 0.0001111200000000, 0.0000000000000000, -0.0042642100000000 ] - [ 0.0003082600000000, 0.0000000000000000, 0.0029174900000000 ] - [ -0.0074946700000000, 0.0000000000000000, 0.0014576400000000 ] - [ -0.0009793400000000, 0.0000448500000000, -0.0018108800000000 ] - [ -0.0009793400000000, -0.0000448500000000, -0.0018108800000000 ] - [ -0.0068221300000000, 0.0000000000000000, 0.0031564600000000 ] - [ -0.0066597700000000, 0.0000000000000000, 0.0027792900000000 ] - [ -0.0137316100000000, 0.0082885800000000, 0.0077764600000000 ] - [ -0.0137316100000000, -0.0082885800000000, 0.0077764600000000 ] - [ -0.0008169900000000, 0.0000000000000000, 0.0038886500000000 ] - [ -0.0010278200000000, 0.0000000000000000, 0.0034222900000000 ] - [ -0.0009632000000000, 0.0000086800000000, -0.0007843200000000 ] - [ -0.0009632000000000, -0.0000086800000000, -0.0007843200000000 ] - [ -0.0020582900000000, 0.0000371800000000, -0.0008430600000000 ] - [ -0.0020582900000000, -0.0000371800000000, -0.0008430600000000 ] - [ -0.0000010400000000, 0.0000000000000000, -0.0125484100000000 ] - [ 0.0000070200000000, 0.0000000000000000, -0.0042860200000000 ] - [ -0.0036792000000000, 0.0000416700000000, 0.0012538200000000 ] - [ -0.0036792000000000, -0.0000416700000000, 0.0012538200000000 ] - [ 0.0050122100000000, 0.0000000000000000, -0.0003581700000000 ] - [ 0.0045393800000000, 0.0000000000000000, -0.0003931400000000 ] - [ 0.0018854300000000, 0.0002977300000000, 0.0008604500000000 ] - [ 0.0018854300000000, -0.0002977300000000, 0.0008604500000000 ] - [ -0.0004915400000000, 0.0000000000000000, 0.0021843800000000 ] - [ -0.0001839400000000, 0.0000000000000000, 0.0016861900000000 ] - [ 0.0045335500000000, 0.0000000000000000, 0.0014290300000000 ] - [ 0.0046419300000000, 0.0000000000000000, 0.0014326000000000 ] - [ 0.0005273400000000, 0.0000000000000000, 0.0012011800000000 ] - [ 0.0005700000000000, 0.0000000000000000, 0.0011677500000000 ] - [ 0.0006023900000000, -0.0003829300000000, 0.0023133400000000 ] - [ 0.0006023900000000, 0.0003829300000000, 0.0023133400000000 ] - [ 0.0006239900000000, 0.0000419500000000, 0.0001160600000000 ] - [ 0.0006239900000000, -0.0000419500000000, 0.0001160600000000 ] - [ -0.0032442700000000, -0.0000231200000000, 0.0006030700000000 ] - [ -0.0032442700000000, 0.0000231200000000, 0.0006030700000000 ] - [ -0.0007605600000000, 0.0000000000000000, 0.0003730200000000 ] - [ -0.0004359500000000, 0.0000000000000000, 0.0003954000000000 ] - [ -0.0001476800000000, -0.0000060700000000, -0.0004044500000000 ] - [ -0.0001476800000000, 0.0000060700000000, -0.0004044500000000 ] - [ 0.0025037300000000, 0.0000000000000000, -0.0004877400000000 ] - [ 0.0026074900000000, 0.0000000000000000, -0.0002135000000000 ] - [ 0.0011378800000000, 0.0000000000000000, 0.0020735000000000 ] - [ 0.0010811300000000, 0.0000000000000000, 0.0019101100000000 ] - [ -0.0031054300000000, -0.0000793300000000, 0.0005930100000000 ] - [ -0.0031054300000000, 0.0000793300000000, 0.0005930100000000 ] - [ 0.0053118800000000, -0.0001528200000000, -0.0012378600000000 ] - [ 0.0053118800000000, 0.0001528200000000, -0.0012378600000000 ] - [ 0.0014911000000000, 0.0000000000000000, 0.0021079400000000 ] - [ 0.0015332900000000, 0.0000000000000000, 0.0021591500000000 ] - [ -0.0001113000000000, 0.0096596800000000, 0.0144170600000000 ] - [ -0.0001113000000000, -0.0096596800000000, 0.0144170600000000 ] - [ 0.0021070200000000, 0.0000000000000000, 0.0003621100000000 ] - [ 0.0022238800000000, 0.0000000000000000, 0.0004338400000000 ] - [ 0.0000923000000000, -0.0000045700000000, 0.0000331300000000 ] - [ 0.0000923000000000, 0.0000045700000000, 0.0000331300000000 ] - [ -0.0023501400000000, 0.0041792900000000, -0.0013324300000000 ] - [ -0.0023501400000000, -0.0041792900000000, -0.0013324300000000 ] - [ 0.0001152800000000, -0.0001116600000000, -0.0025563400000000 ] - [ 0.0001152800000000, 0.0001116600000000, -0.0025563400000000 ] - [ 0.0016570000000000, 0.0000000000000000, -0.0059736200000000 ] - [ 0.0004060100000000, 0.0000000000000000, -0.0040664300000000 ] - [ 0.0432550100000000, 0.0000000000000000, -0.0390750300000000 ] - [ 0.0011788200000000, 0.0000000000000000, 0.0025578300000000 ] - [ -0.0005503700000000, 0.0000000000000000, -0.0011012700000000 ] - [ -0.0002910600000000, 0.0000000000000000, -0.0004845400000000 ] - [ -0.0002488100000000, -0.0000000400000000, -0.0008604400000000 ] - [ -0.0002488100000000, 0.0000000400000000, -0.0008604400000000 ] - [ 0.0018225800000000, -0.0113364500000000, -0.0022367100000000 ] - [ 0.0018225800000000, 0.0113364500000000, -0.0022367100000000 ] - [ 0.0036810200000000, -0.0062108200000000, 0.0026541500000000 ] - [ 0.0036810200000000, 0.0062108200000000, 0.0026541500000000 ] - [ 0.0006637700000000, 0.0000000000000000, 0.0007429500000000 ] - [ 0.0006698400000000, 0.0000000000000000, 0.0007619600000000 ] - [ -0.0131342100000000, 0.0000000000000000, 0.0036353000000000 ] - [ 0.0021405800000000, 0.0000000000000000, -0.0000432500000000 ] - [ -0.0002611400000000, 0.0000000000000000, -0.0000870700000000 ] - [ -0.0000916300000000, 0.0000000000000000, -0.0000619800000000 ] - [ 0.0004105100000000, -0.0000130000000000, 0.0003916200000000 ] - [ 0.0004105100000000, 0.0000130000000000, 0.0003916200000000 ] - [ -0.0081672500000000, 0.0000000000000000, 0.0141019200000000 ] - [ 0.0000473600000000, 0.0000000000000000, 0.0009804000000000 ] - [ 0.0026515800000000, -0.0008871100000000, -0.0002027300000000 ] - [ 0.0026515800000000, 0.0008871100000000, -0.0002027300000000 ] - [ -0.0004228600000000, -0.0000218900000000, 0.0000276700000000 ] - [ -0.0004228600000000, 0.0000218900000000, 0.0000276700000000 ] - [ -0.0018331800000000, 0.0000000000000000, 0.0011021300000000 ] - [ -0.0034123900000000, 0.0000000000000000, 0.0009851200000000 ] - [ 0.0038794600000000, 0.0000000000000000, -0.0013132100000000 ] - [ 0.0038893100000000, 0.0000000000000000, -0.0013174400000000 ] - [ 0.0015602000000000, -0.0011141000000000, 0.0033198000000000 ] - [ 0.0015602000000000, 0.0011141000000000, 0.0033198000000000 ] - [ 0.0001045600000000, 0.0000000000000000, 0.0002711000000000 ] - [ 0.0001298200000000, 0.0000000000000000, 0.0003862800000000 ] - [ 0.0008986000000000, -0.0000648000000000, 0.0009062900000000 ] - [ 0.0008986000000000, 0.0000648000000000, 0.0009062900000000 ] - [ -0.0032999600000000, 0.0000000000000000, 0.0011736100000000 ] - [ -0.0009109600000000, 0.0000000000000000, 0.0005228900000000 ] - [ -0.0026926200000000, 0.0000000000000000, -0.0001458200000000 ] - [ -0.0014789400000000, 0.0000000000000000, -0.0001287300000000 ] - [ -0.0001486400000000, 0.0000000000000000, -0.0004188300000000 ] - [ -0.0002808200000000, 0.0000000000000000, -0.0013351200000000 ] - [ -0.0003953400000000, -0.0000047700000000, -0.0008107600000000 ] - [ -0.0003953400000000, 0.0000047700000000, -0.0008107600000000 ] - [ -0.0054178900000000, -0.0000897500000000, -0.0007332300000000 ] - [ -0.0054178900000000, 0.0000897500000000, -0.0007332300000000 ] - [ -0.0005502800000000, 0.0000223000000000, 0.0008015100000000 ] - [ -0.0005502800000000, -0.0000223000000000, 0.0008015100000000 ]- atom: 75 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ 0.0021467900000000, 0.0000000000000000, -0.0009354000000000 ] - [ 0.0023379100000000, 0.0000000000000000, -0.0008861700000000 ] - [ -0.0093608400000000, 0.0000000000000000, -0.0006213900000000 ] - [ -0.0046608600000000, 0.0000000000000000, 0.0000772100000000 ] - [ -0.0022705100000000, -0.0001413700000000, 0.0089783300000000 ] - [ -0.0022705100000000, 0.0001413700000000, 0.0089783300000000 ] - [ 0.0032808500000000, -0.0004414100000000, 0.0009519800000000 ] - [ 0.0032808500000000, 0.0004414100000000, 0.0009519800000000 ] - [ -0.0064687700000000, 0.0003183600000000, -0.0009522700000000 ] - [ -0.0064687700000000, -0.0003183600000000, -0.0009522700000000 ] - [ -0.0016471300000000, 0.0000000000000000, -0.0003263200000000 ] - [ -0.0015661900000000, 0.0000000000000000, -0.0002657800000000 ] - [ -0.0026133400000000, 0.0000000000000000, 0.0012338200000000 ] - [ -0.0011510300000000, 0.0000000000000000, 0.0005890500000000 ] - [ -0.0066180900000000, 0.0000000000000000, -0.0043066700000000 ] - [ 0.0009706700000000, 0.0000000000000000, -0.0030554800000000 ] - [ -0.0014004800000000, -0.0000434600000000, -0.0026027200000000 ] - [ -0.0014004800000000, 0.0000434600000000, -0.0026027200000000 ] - [ -0.0010099900000000, 0.0000000000000000, 0.0005647200000000 ] - [ -0.0011751400000000, 0.0000000000000000, 0.0009685000000000 ] - [ 0.0212469800000000, -0.0088221000000000, -0.0084952100000000 ] - [ 0.0212469800000000, 0.0088221000000000, -0.0084952100000000 ] - [ -0.0009698100000000, 0.0000000000000000, 0.0014953800000000 ] - [ -0.0007595300000000, 0.0000000000000000, 0.0019693000000000 ] - [ -0.0000839100000000, -0.0000108100000000, -0.0028940600000000 ] - [ -0.0000839100000000, 0.0000108100000000, -0.0028940600000000 ] - [ -0.0045304900000000, -0.0000377300000000, -0.0007522700000000 ] - [ -0.0045304900000000, 0.0000377300000000, -0.0007522700000000 ] - [ -0.0023579500000000, 0.0000000000000000, 0.0082505000000000 ] - [ -0.0023665300000000, 0.0000000000000000, -0.0001370300000000 ] - [ -0.0041403300000000, -0.0000454700000000, 0.0024816000000000 ] - [ -0.0041403300000000, 0.0000454700000000, 0.0024816000000000 ] - [ 0.0021799400000000, 0.0000000000000000, -0.0002049600000000 ] - [ 0.0026573500000000, 0.0000000000000000, -0.0001824000000000 ] - [ -0.0036443900000000, -0.0003031000000000, 0.0045577100000000 ] - [ -0.0036443900000000, 0.0003031000000000, 0.0045577100000000 ] - [ 0.0002580700000000, 0.0000000000000000, -0.0014390100000000 ] - [ -0.0000517300000000, 0.0000000000000000, -0.0009193300000000 ] - [ 0.0054205300000000, 0.0000000000000000, 0.0014774400000000 ] - [ 0.0053121300000000, 0.0000000000000000, 0.0014737400000000 ] - [ 0.0007258900000000, 0.0000000000000000, 0.0004702700000000 ] - [ 0.0006814200000000, 0.0000000000000000, 0.0005451600000000 ] - [ 0.0006438800000000, 0.0003878200000000, -0.0004894200000000 ] - [ 0.0006438800000000, -0.0003878200000000, -0.0004894200000000 ] - [ 0.0035294000000000, -0.0000423400000000, 0.0001420000000000 ] - [ 0.0035294000000000, 0.0000423400000000, 0.0001420000000000 ] - [ 0.0034806100000000, 0.0000244000000000, -0.0006385100000000 ] - [ 0.0034806100000000, -0.0000244000000000, -0.0006385100000000 ] - [ -0.0005647400000000, 0.0000000000000000, -0.0002613500000000 ] - [ -0.0009180500000000, 0.0000000000000000, -0.0002933600000000 ] - [ 0.0000089500000000, 0.0000063000000000, 0.0002677500000000 ] - [ 0.0000089500000000, -0.0000063000000000, 0.0002677500000000 ] - [ 0.0040181300000000, 0.0000000000000000, 0.0001840000000000 ] - [ 0.0039190500000000, 0.0000000000000000, -0.0000867800000000 ] - [ -0.0018760400000000, 0.0000000000000000, -0.0018300800000000 ] - [ -0.0018153300000000, 0.0000000000000000, -0.0016428600000000 ] - [ -0.0030106000000000, 0.0000606900000000, 0.0005478100000000 ] - [ -0.0030106000000000, -0.0000606900000000, 0.0005478100000000 ] - [ 0.0025874200000000, 0.0001574200000000, -0.0015494000000000 ] - [ 0.0025874200000000, -0.0001574200000000, -0.0015494000000000 ] - [ 0.0015475900000000, 0.0000000000000000, 0.0024136700000000 ] - [ 0.0015133300000000, 0.0000000000000000, 0.0023636900000000 ] - [ 0.0005343400000000, -0.0095196500000000, -0.0132198500000000 ] - [ 0.0005343400000000, 0.0095196500000000, -0.0132198500000000 ] - [ 0.0008760100000000, 0.0000000000000000, 0.0003018400000000 ] - [ 0.0007473200000000, 0.0000000000000000, 0.0002204000000000 ] - [ 0.0004120300000000, 0.0000046500000000, 0.0001221700000000 ] - [ 0.0004120300000000, -0.0000046500000000, 0.0001221700000000 ] - [ 0.0014112000000000, -0.0041544200000000, 0.0010454700000000 ] - [ 0.0014112000000000, 0.0041544200000000, 0.0010454700000000 ] - [ 0.0000661700000000, 0.0001098900000000, -0.0021366700000000 ] - [ 0.0000661700000000, -0.0001098900000000, -0.0021366700000000 ] - [ -0.0022536400000000, 0.0000000000000000, 0.0035710700000000 ] - [ -0.0010101100000000, 0.0000000000000000, 0.0016200000000000 ] - [ -0.0542577300000000, 0.0000000000000000, 0.0377065600000000 ] - [ -0.0113642400000000, 0.0000000000000000, -0.0039747300000000 ] - [ 0.0001554200000000, 0.0000000000000000, 0.0014954800000000 ] - [ -0.0001087300000000, 0.0000000000000000, 0.0008498100000000 ] - [ 0.0000145100000000, 0.0000001500000000, 0.0016286500000000 ] - [ 0.0000145100000000, -0.0000001500000000, 0.0016286500000000 ] - [ 0.0080774600000000, 0.0113628000000000, 0.0051937000000000 ] - [ 0.0080774600000000, -0.0113628000000000, 0.0051937000000000 ] - [ -0.0024664400000000, 0.0062607200000000, -0.0009465800000000 ] - [ -0.0024664400000000, -0.0062607200000000, -0.0009465800000000 ] - [ 0.0005808300000000, 0.0000000000000000, 0.0010832000000000 ] - [ 0.0005750800000000, 0.0000000000000000, 0.0010580700000000 ] - [ 0.0173453800000000, 0.0000000000000000, -0.0034495700000000 ] - [ 0.0019716600000000, 0.0000000000000000, 0.0003050000000000 ] - [ 0.0005108500000000, 0.0000000000000000, 0.0000570000000000 ] - [ 0.0003711300000000, 0.0000000000000000, 0.0000303300000000 ] - [ -0.0017647800000000, 0.0000124100000000, -0.0002851400000000 ] - [ -0.0017647800000000, -0.0000124100000000, -0.0002851400000000 ] - [ 0.0082347700000000, 0.0000000000000000, -0.0145124200000000 ] - [ -0.0001924200000000, 0.0000000000000000, -0.0011028500000000 ] - [ 0.0038553500000000, 0.0009347400000000, -0.0000954100000000 ] - [ 0.0038553500000000, -0.0009347400000000, -0.0000954100000000 ] - [ -0.0003201600000000, 0.0000353200000000, 0.0002403100000000 ] - [ -0.0003201600000000, -0.0000353200000000, 0.0002403100000000 ] - [ -0.0043191100000000, 0.0000000000000000, 0.0000556300000000 ] - [ -0.0027112400000000, 0.0000000000000000, 0.0001582700000000 ] - [ 0.0040202500000000, 0.0000000000000000, -0.0014728300000000 ] - [ 0.0040010100000000, 0.0000000000000000, -0.0014685700000000 ] - [ 0.0014722900000000, 0.0011287600000000, 0.0011967300000000 ] - [ 0.0014722900000000, -0.0011287600000000, 0.0011967300000000 ] - [ 0.0003111800000000, 0.0000000000000000, 0.0008283000000000 ] - [ 0.0002833900000000, 0.0000000000000000, 0.0007570700000000 ] - [ 0.0020659000000000, 0.0000657100000000, -0.0002502000000000 ] - [ 0.0020659000000000, -0.0000657100000000, -0.0002502000000000 ] - [ 0.0038346300000000, 0.0000000000000000, -0.0010253100000000 ] - [ 0.0014001300000000, 0.0000000000000000, -0.0003662100000000 ] - [ 0.0017397000000000, 0.0000000000000000, -0.0001157000000000 ] - [ 0.0004962600000000, 0.0000000000000000, -0.0001338900000000 ] - [ 0.0003231600000000, 0.0000000000000000, -0.0042941300000000 ] - [ 0.0004571300000000, 0.0000000000000000, -0.0033629900000000 ] - [ -0.0002073400000000, 0.0000046200000000, -0.0016232500000000 ] - [ -0.0002073400000000, -0.0000046200000000, -0.0016232500000000 ] - [ -0.0046399800000000, 0.0000872700000000, -0.0007158700000000 ] - [ -0.0046399800000000, -0.0000872700000000, -0.0007158700000000 ] - [ 0.0001485800000000, -0.0000213000000000, -0.0004578000000000 ] - [ 0.0001485800000000, 0.0000213000000000, -0.0004578000000000 ]- atom: 77 displacement: [ 0.0099999999798780, 0.0000000000000000, 0.0000006343813389 ] forces: - [ 0.0042674200000000, 0.0000000000000000, 0.0026574800000000 ] - [ 0.0032318200000000, 0.0000000000000000, 0.0000290300000000 ] - [ 0.0071986500000000, 0.0000000000000000, -0.0077585900000000 ] - [ -0.0014173900000000, 0.0000000000000000, 0.0006285900000000 ] - [ -0.0022430000000000, 0.0002329700000000, 0.0001731800000000 ] - [ -0.0022430000000000, -0.0002329700000000, 0.0001731800000000 ] - [ 0.0012256100000000, 0.0000965500000000, -0.0020747500000000 ] - [ 0.0012256100000000, -0.0000965500000000, -0.0020747500000000 ] - [ -0.0045863200000000, 0.0000002700000000, -0.0007597400000000 ] - [ -0.0045863200000000, -0.0000002700000000, -0.0007597400000000 ] - [ -0.0077293800000000, 0.0000000000000000, -0.0000674900000000 ] - [ -0.0014635600000000, 0.0000000000000000, -0.0001386500000000 ] - [ -0.0002045900000000, 0.0000000000000000, -0.0008493000000000 ] - [ -0.0001249100000000, 0.0000000000000000, -0.0015122900000000 ] - [ -0.0099299200000000, 0.0000000000000000, -0.0023475500000000 ] - [ -0.0033895300000000, 0.0000000000000000, -0.0015345100000000 ] - [ -0.0006705700000000, -0.0011631100000000, -0.0026175500000000 ] - [ -0.0006705700000000, 0.0011631100000000, -0.0026175500000000 ] - [ -0.0083352000000000, 0.0000000000000000, 0.0043746000000000 ] - [ -0.0035101600000000, 0.0000000000000000, 0.0033475700000000 ] - [ 0.0021314500000000, 0.0003424700000000, -0.0008523400000000 ] - [ 0.0021314500000000, -0.0003424700000000, -0.0008523400000000 ] - [ 0.0272856200000000, 0.0000000000000000, 0.0444069400000000 ] - [ 0.0024003500000000, 0.0000000000000000, 0.0039142600000000 ] - [ -0.0014895500000000, -0.0004368300000000, -0.0026949300000000 ] - [ -0.0014895500000000, 0.0004368300000000, -0.0026949300000000 ] - [ -0.0041159800000000, -0.0002080100000000, -0.0009475000000000 ] - [ -0.0041159800000000, 0.0002080100000000, -0.0009475000000000 ] - [ -0.0014004800000000, 0.0000000000000000, -0.0041797100000000 ] - [ -0.0015134700000000, 0.0000000000000000, -0.0029539400000000 ] - [ -0.0053366500000000, -0.0002882100000000, 0.0012235600000000 ] - [ -0.0053366500000000, 0.0002882100000000, 0.0012235600000000 ] - [ -0.0008321300000000, 0.0000000000000000, 0.0024003800000000 ] - [ 0.0042788400000000, 0.0000000000000000, 0.0006774400000000 ] - [ -0.0019781500000000, 0.0000604600000000, 0.0022704300000000 ] - [ -0.0019781500000000, -0.0000604600000000, 0.0022704300000000 ] - [ 0.0010861400000000, 0.0000000000000000, -0.0013096600000000 ] - [ -0.0002454100000000, 0.0000000000000000, 0.0001482700000000 ] - [ 0.0053912400000000, 0.0000000000000000, 0.0014149900000000 ] - [ 0.0050390300000000, 0.0000000000000000, 0.0014665100000000 ] - [ 0.0007806400000000, 0.0000000000000000, -0.0022644700000000 ] - [ 0.0005123000000000, 0.0000000000000000, -0.0000818600000000 ] - [ 0.0005982000000000, -0.0000087100000000, 0.0007252600000000 ] - [ 0.0005982000000000, 0.0000087100000000, 0.0007252600000000 ] - [ 0.0028105700000000, 0.0000080800000000, 0.0001660400000000 ] - [ 0.0028105700000000, -0.0000080800000000, 0.0001660400000000 ] - [ 0.0009712100000000, -0.0000269200000000, 0.0000078600000000 ] - [ 0.0009712100000000, 0.0000269200000000, 0.0000078600000000 ] - [ -0.0010144100000000, 0.0000000000000000, -0.0013184700000000 ] - [ -0.0014060700000000, 0.0000000000000000, -0.0005877100000000 ] - [ -0.0000831800000000, 0.0001258500000000, 0.0001248900000000 ] - [ -0.0000831800000000, -0.0001258500000000, 0.0001248900000000 ] - [ 0.0034742500000000, 0.0000000000000000, 0.0000102900000000 ] - [ 0.0034719700000000, 0.0000000000000000, 0.0000064500000000 ] - [ 0.0003946000000000, 0.0000000000000000, -0.0000460000000000 ] - [ -0.0002288100000000, 0.0000000000000000, -0.0000218300000000 ] - [ -0.0037843700000000, -0.0000242000000000, 0.0003155200000000 ] - [ -0.0037843700000000, 0.0000242000000000, 0.0003155200000000 ] - [ 0.0044317300000000, -0.0009678400000000, -0.0017157000000000 ] - [ 0.0044317300000000, 0.0009678400000000, -0.0017157000000000 ] - [ 0.0012528900000000, 0.0000000000000000, 0.0047173100000000 ] - [ 0.0010582100000000, 0.0000000000000000, 0.0021597600000000 ] - [ 0.0004489700000000, -0.0000665700000000, 0.0006281100000000 ] - [ 0.0004489700000000, 0.0000665700000000, 0.0006281100000000 ] - [ 0.0030230000000000, 0.0000000000000000, -0.0065571800000000 ] - [ 0.0001728200000000, 0.0000000000000000, -0.0002001300000000 ] - [ 0.0003281100000000, 0.0001826200000000, 0.0002651400000000 ] - [ 0.0003281100000000, -0.0001826200000000, 0.0002651400000000 ] - [ 0.0005643300000000, -0.0000149200000000, -0.0000369300000000 ] - [ 0.0005643300000000, 0.0000149200000000, -0.0000369300000000 ] - [ -0.0011715800000000, 0.0027907200000000, -0.0024774500000000 ] - [ -0.0011715800000000, -0.0027907200000000, -0.0024774500000000 ] - [ 0.0005758000000000, 0.0000000000000000, -0.0027385100000000 ] - [ -0.0001640700000000, 0.0000000000000000, -0.0016478700000000 ] - [ -0.0040415100000000, 0.0000000000000000, -0.0005581200000000 ] - [ -0.0046904200000000, 0.0000000000000000, -0.0006338300000000 ] - [ -0.0423873600000000, 0.0000000000000000, -0.0417392100000000 ] - [ -0.0011358600000000, 0.0000000000000000, -0.0010983500000000 ] - [ 0.0000377400000000, 0.0000155200000000, 0.0010409500000000 ] - [ 0.0000377400000000, -0.0000155200000000, 0.0010409500000000 ] - [ 0.0056569900000000, -0.0011664800000000, 0.0016971300000000 ] - [ 0.0056569900000000, 0.0011664800000000, 0.0016971300000000 ] - [ 0.0008083000000000, -0.0000401600000000, 0.0015777200000000 ] - [ 0.0008083000000000, 0.0000401600000000, 0.0015777200000000 ] - [ 0.0011923700000000, 0.0000000000000000, 0.0016849000000000 ] - [ 0.0007728800000000, 0.0000000000000000, 0.0010700400000000 ] - [ 0.0096288200000000, 0.0000000000000000, 0.0071760200000000 ] - [ 0.0012476600000000, 0.0000000000000000, 0.0002777600000000 ] - [ 0.0071506700000000, 0.0000000000000000, 0.0117799900000000 ] - [ -0.0005947800000000, 0.0000000000000000, -0.0000245700000000 ] - [ 0.0003209400000000, 0.0000399300000000, 0.0004131100000000 ] - [ 0.0003209400000000, -0.0000399300000000, 0.0004131100000000 ] - [ 0.0004444700000000, 0.0000000000000000, 0.0027265000000000 ] - [ -0.0000101700000000, 0.0000000000000000, 0.0007675700000000 ] - [ 0.0006636000000000, 0.0000784300000000, -0.0003868900000000 ] - [ 0.0006636000000000, -0.0000784300000000, -0.0003868900000000 ] - [ 0.0003238100000000, 0.0007851100000000, 0.0004852000000000 ] - [ 0.0003238100000000, -0.0007851100000000, 0.0004852000000000 ] - [ -0.0025344600000000, 0.0000000000000000, 0.0007710400000000 ] - [ -0.0027258600000000, 0.0000000000000000, 0.0007089300000000 ] - [ 0.0047483900000000, 0.0000000000000000, -0.0012582300000000 ] - [ 0.0042345200000000, 0.0000000000000000, -0.0013389000000000 ] - [ 0.0018095400000000, -0.0001689900000000, 0.0024739900000000 ] - [ 0.0018095400000000, 0.0001689900000000, 0.0024739900000000 ] - [ 0.0015153000000000, 0.0000000000000000, -0.0003005600000000 ] - [ 0.0002360700000000, 0.0000000000000000, 0.0002865200000000 ] - [ 0.0025031900000000, 0.0000027200000000, 0.0006458400000000 ] - [ 0.0025031900000000, -0.0000027200000000, 0.0006458400000000 ] - [ -0.0002975400000000, 0.0000000000000000, 0.0001223700000000 ] - [ 0.0001619700000000, 0.0000000000000000, 0.0001021400000000 ] - [ 0.0056693300000000, 0.0000000000000000, -0.0067834300000000 ] - [ -0.0017404100000000, 0.0000000000000000, -0.0004059300000000 ] - [ 0.0003091700000000, 0.0000000000000000, -0.0020173700000000 ] - [ 0.0002829600000000, 0.0000000000000000, -0.0021626300000000 ] - [ -0.0001372000000000, 0.0000612700000000, -0.0010188100000000 ] - [ -0.0001372000000000, -0.0000612700000000, -0.0010188100000000 ] - [ -0.0047198700000000, 0.0008514400000000, -0.0009518800000000 ] - [ -0.0047198700000000, -0.0008514400000000, -0.0009518800000000 ] - [ -0.0000290300000000, -0.0000032800000000, 0.0006021500000000 ] - [ -0.0000290300000000, 0.0000032800000000, 0.0006021500000000 ]- atom: 77 displacement: [ -0.0099999999798780, 0.0000000000000000, -0.0000006343813389 ] forces: - [ 0.0000922300000000, 0.0000000000000000, -0.0050153100000000 ] - [ 0.0011442800000000, 0.0000000000000000, -0.0024047800000000 ] - [ -0.0143094900000000, 0.0000000000000000, 0.0079582000000000 ] - [ -0.0056173900000000, 0.0000000000000000, -0.0007525400000000 ] - [ -0.0004370100000000, -0.0002329300000000, -0.0002477900000000 ] - [ -0.0004370100000000, 0.0002329300000000, -0.0002477900000000 ] - [ 0.0031668700000000, -0.0000987800000000, -0.0002826500000000 ] - [ 0.0031668700000000, 0.0000987800000000, -0.0002826500000000 ] - [ -0.0024322300000000, 0.0000039000000000, 0.0006510400000000 ] - [ -0.0024322300000000, -0.0000039000000000, 0.0006510400000000 ] - [ 0.0050510900000000, 0.0000000000000000, 0.0000395100000000 ] - [ -0.0012131700000000, 0.0000000000000000, 0.0000610500000000 ] - [ -0.0008440500000000, 0.0000000000000000, -0.0028453900000000 ] - [ -0.0009186500000000, 0.0000000000000000, -0.0021590400000000 ] - [ 0.0034140600000000, 0.0000000000000000, 0.0007556700000000 ] - [ -0.0031869100000000, 0.0000000000000000, -0.0000567100000000 ] - [ -0.0016946900000000, 0.0011932200000000, -0.0017624400000000 ] - [ -0.0016946900000000, -0.0011932200000000, -0.0017624400000000 ] - [ 0.0005268700000000, 0.0000000000000000, -0.0006573900000000 ] - [ -0.0043216100000000, 0.0000000000000000, 0.0003731600000000 ] - [ 0.0050886500000000, -0.0003463100000000, 0.0002865900000000 ] - [ 0.0050886500000000, 0.0003463100000000, 0.0002865900000000 ] - [ -0.0296743300000000, 0.0000000000000000, -0.0404781100000000 ] - [ -0.0041861000000000, 0.0000000000000000, 0.0014621600000000 ] - [ 0.0004611800000000, 0.0004334200000000, -0.0009662100000000 ] - [ 0.0004611800000000, -0.0004334200000000, -0.0009662100000000 ] - [ -0.0024556100000000, 0.0002062400000000, -0.0006335600000000 ] - [ -0.0024556100000000, -0.0002062400000000, -0.0006335600000000 ] - [ -0.0009806700000000, 0.0000000000000000, -0.0002021000000000 ] - [ -0.0008597300000000, 0.0000000000000000, -0.0014470000000000 ] - [ -0.0024813100000000, 0.0002858500000000, 0.0025131600000000 ] - [ -0.0024813100000000, -0.0002858500000000, 0.0025131600000000 ] - [ 0.0079890100000000, 0.0000000000000000, -0.0029556900000000 ] - [ 0.0029240000000000, 0.0000000000000000, -0.0012478400000000 ] - [ 0.0002081800000000, -0.0000608100000000, 0.0031284300000000 ] - [ 0.0002081800000000, 0.0000608100000000, 0.0031284300000000 ] - [ -0.0013108900000000, 0.0000000000000000, 0.0021445200000000 ] - [ 0.0000135700000000, 0.0000000000000000, 0.0006188800000000 ] - [ 0.0045610200000000, 0.0000000000000000, 0.0014872200000000 ] - [ 0.0049105800000000, 0.0000000000000000, 0.0014365600000000 ] - [ 0.0004750700000000, 0.0000000000000000, 0.0039017800000000 ] - [ 0.0007390800000000, 0.0000000000000000, 0.0017826900000000 ] - [ 0.0006485100000000, 0.0000029600000000, 0.0010963100000000 ] - [ 0.0006485100000000, -0.0000029600000000, 0.0010963100000000 ] - [ 0.0013243500000000, -0.0000078100000000, 0.0000908900000000 ] - [ 0.0013243500000000, 0.0000078100000000, 0.0000908900000000 ] - [ -0.0007166400000000, 0.0000269000000000, -0.0000405300000000 ] - [ -0.0007166400000000, -0.0000269000000000, -0.0000405300000000 ] - [ -0.0003260500000000, 0.0000000000000000, 0.0014406000000000 ] - [ 0.0000504100000000, 0.0000000000000000, 0.0006930600000000 ] - [ -0.0000592300000000, -0.0001278800000000, -0.0002890700000000 ] - [ -0.0000592300000000, 0.0001278800000000, -0.0002890700000000 ] - [ 0.0030336600000000, 0.0000000000000000, -0.0003120800000000 ] - [ 0.0030367700000000, 0.0000000000000000, -0.0003090900000000 ] - [ -0.0011452600000000, 0.0000000000000000, 0.0003175600000000 ] - [ -0.0005126900000000, 0.0000000000000000, 0.0002882700000000 ] - [ -0.0023298500000000, 0.0000040000000000, 0.0008246600000000 ] - [ -0.0023298500000000, -0.0000040000000000, 0.0008246600000000 ] - [ 0.0034589700000000, 0.0009776400000000, -0.0010665800000000 ] - [ 0.0034589700000000, -0.0009776400000000, -0.0010665800000000 ] - [ 0.0017868700000000, 0.0000000000000000, -0.0002672300000000 ] - [ 0.0019912800000000, 0.0000000000000000, 0.0023591100000000 ] - [ -0.0000358200000000, 0.0000671800000000, 0.0004919300000000 ] - [ -0.0000358200000000, -0.0000671800000000, 0.0004919300000000 ] - [ -0.0000657200000000, 0.0000000000000000, 0.0072640900000000 ] - [ 0.0028132500000000, 0.0000000000000000, 0.0008628300000000 ] - [ 0.0001562800000000, -0.0001831500000000, -0.0001163200000000 ] - [ 0.0001562800000000, 0.0001831500000000, -0.0001163200000000 ] - [ -0.0015537500000000, 0.0000151900000000, -0.0002285700000000 ] - [ -0.0015537500000000, -0.0000151900000000, -0.0002285700000000 ] - [ 0.0013591500000000, -0.0028749300000000, -0.0022299600000000 ] - [ 0.0013591500000000, 0.0028749300000000, -0.0022299600000000 ] - [ -0.0011796400000000, 0.0000000000000000, 0.0003325400000000 ] - [ -0.0004433900000000, 0.0000000000000000, -0.0007758900000000 ] - [ -0.0060336900000000, 0.0000000000000000, -0.0008951300000000 ] - [ -0.0053787300000000, 0.0000000000000000, -0.0008186100000000 ] - [ 0.0426048100000000, 0.0000000000000000, 0.0432883500000000 ] - [ 0.0007446600000000, 0.0000000000000000, 0.0014736000000000 ] - [ -0.0002723600000000, -0.0000155100000000, -0.0002883600000000 ] - [ -0.0002723600000000, 0.0000155100000000, -0.0002883600000000 ] - [ 0.0042850200000000, 0.0011781300000000, 0.0012065800000000 ] - [ 0.0042850200000000, -0.0011781300000000, 0.0012065800000000 ] - [ 0.0004400100000000, 0.0000414000000000, 0.0001037900000000 ] - [ 0.0004400100000000, -0.0000414000000000, 0.0001037900000000 ] - [ 0.0000519200000000, 0.0000000000000000, 0.0001333500000000 ] - [ 0.0004692600000000, 0.0000000000000000, 0.0007386000000000 ] - [ -0.0056136800000000, 0.0000000000000000, -0.0070339000000000 ] - [ 0.0029100100000000, 0.0000000000000000, -0.0000206800000000 ] - [ -0.0068522900000000, 0.0000000000000000, -0.0116632600000000 ] - [ 0.0008600600000000, 0.0000000000000000, -0.0000066800000000 ] - [ -0.0016780000000000, -0.0000395400000000, -0.0003105400000000 ] - [ -0.0016780000000000, 0.0000395400000000, -0.0003105400000000 ] - [ -0.0005904200000000, 0.0000000000000000, -0.0029049100000000 ] - [ -0.0001335400000000, 0.0000000000000000, -0.0009160900000000 ] - [ 0.0058379400000000, -0.0000668100000000, 0.0001115700000000 ] - [ 0.0058379400000000, 0.0000668100000000, 0.0001115700000000 ] - [ -0.0010704400000000, -0.0007673400000000, -0.0002205800000000 ] - [ -0.0010704400000000, 0.0007673400000000, -0.0002205800000000 ] - [ -0.0035901400000000, 0.0000000000000000, 0.0003687100000000 ] - [ -0.0033980600000000, 0.0000000000000000, 0.0004312700000000 ] - [ 0.0031420800000000, 0.0000000000000000, -0.0015306500000000 ] - [ 0.0036486900000000, 0.0000000000000000, -0.0014466500000000 ] - [ 0.0012293100000000, 0.0001708700000000, 0.0020439300000000 ] - [ 0.0012293100000000, -0.0001708700000000, 0.0020439300000000 ] - [ -0.0011231600000000, 0.0000000000000000, 0.0014035500000000 ] - [ 0.0001763700000000, 0.0000000000000000, 0.0008623800000000 ] - [ 0.0004637300000000, -0.0000027000000000, 0.0000124000000000 ] - [ 0.0004637300000000, 0.0000027000000000, 0.0000124000000000 ] - [ 0.0008140100000000, 0.0000000000000000, 0.0000289200000000 ] - [ 0.0003419800000000, 0.0000000000000000, 0.0000481400000000 ] - [ -0.0064946300000000, 0.0000000000000000, 0.0063990600000000 ] - [ 0.0007517600000000, 0.0000000000000000, 0.0001421700000000 ] - [ -0.0001290600000000, 0.0000000000000000, -0.0026803100000000 ] - [ -0.0001029800000000, 0.0000000000000000, -0.0025338600000000 ] - [ -0.0004693700000000, -0.0000613400000000, -0.0014168000000000 ] - [ -0.0004693700000000, 0.0000613400000000, -0.0014168000000000 ] - [ -0.0053401700000000, -0.0008473400000000, -0.0005000100000000 ] - [ -0.0053401700000000, 0.0008473400000000, -0.0005000100000000 ] - [ -0.0003679700000000, 0.0000035500000000, -0.0002416500000000 ] - [ -0.0003679700000000, -0.0000035500000000, -0.0002416500000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021865100000000, 0.0001346500000000, -0.0011780800000000 ] - [ 0.0021906200000000, -0.0001393800000000, -0.0011880100000000 ] - [ -0.0035323000000000, 0.0103149400000000, 0.0001160600000000 ] - [ -0.0035152900000000, -0.0100141300000000, -0.0000632300000000 ] - [ -0.0013101300000000, 0.0000093200000000, -0.0000165600000000 ] - [ -0.0013734000000000, 0.0000037600000000, -0.0000495100000000 ] - [ 0.0021876400000000, -0.0000003500000000, -0.0011806200000000 ] - [ 0.0022036100000000, -0.0000005300000000, -0.0011807900000000 ] - [ -0.0035492500000000, 0.0000018900000000, -0.0000721100000000 ] - [ -0.0034766300000000, -0.0000035000000000, -0.0000403300000000 ] - [ -0.0013202000000000, 0.0004591300000000, -0.0000291900000000 ] - [ -0.0013489200000000, -0.0001693200000000, -0.0000401700000000 ] - [ -0.0005252900000000, 0.0002276000000000, -0.0018494700000000 ] - [ -0.0005192600000000, -0.0000328600000000, -0.0018228800000000 ] - [ -0.0032877200000000, 0.0003631700000000, -0.0007925400000000 ] - [ -0.0032766500000000, -0.0003158700000000, -0.0007953600000000 ] - [ -0.0010508600000000, 0.0001999300000000, -0.0038095100000000 ] - [ -0.0013147400000000, 0.0001693500000000, -0.0006004100000000 ] - [ -0.0039138100000000, 0.0004490000000000, 0.0018579500000000 ] - [ -0.0039081600000000, -0.0003893900000000, 0.0018633600000000 ] - [ 0.0036326900000000, 0.0000008600000000, -0.0002789200000000 ] - [ 0.0035805400000000, -0.0000014200000000, -0.0002865300000000 ] - [ -0.0010001100000000, 0.0286788600000000, 0.0017153400000000 ] - [ -0.0008923700000000, -0.0059354300000000, 0.0026812100000000 ] - [ -0.0006409500000000, 0.0000084000000000, -0.0018146500000000 ] - [ -0.0003986200000000, 0.0000067700000000, -0.0018469000000000 ] - [ -0.0033019700000000, 0.0000099900000000, -0.0010277200000000 ] - [ -0.0032692600000000, 0.0000077500000000, -0.0005641300000000 ] - [ -0.0011872500000000, 0.0000073200000000, -0.0022012300000000 ] - [ -0.0011822000000000, -0.0000120200000000, -0.0022007600000000 ] - [ -0.0039180000000000, -0.0000004400000000, 0.0018408900000000 ] - [ -0.0038993500000000, -0.0000008500000000, 0.0018906900000000 ] - [ 0.0036039100000000, 0.0003229700000000, -0.0002815500000000 ] - [ 0.0035913100000000, -0.0002388100000000, -0.0002850000000000 ] - [ -0.0008877000000000, -0.0000006400000000, 0.0026928600000000 ] - [ -0.0008889800000000, -0.0000018600000000, 0.0027045200000000 ] - [ -0.0001186300000000, -0.0000961100000000, 0.0004196000000000 ] - [ -0.0001189700000000, 0.0007973100000000, 0.0003657100000000 ] - [ 0.0049753500000000, -0.0001027200000000, 0.0014529200000000 ] - [ 0.0049780000000000, 0.0001010500000000, 0.0014528400000000 ] - [ 0.0006256300000000, -0.0000267600000000, 0.0008299600000000 ] - [ 0.0006265200000000, 0.0000268300000000, 0.0008504400000000 ] - [ 0.0006150600000000, -0.0000060100000000, 0.0008532300000000 ] - [ 0.0006281600000000, 0.0000109600000000, 0.0009693000000000 ] - [ 0.0021275300000000, -0.0000001400000000, 0.0001445400000000 ] - [ 0.0020033500000000, -0.0000005900000000, 0.0001129800000000 ] - [ 0.0001177100000000, 0.0000005400000000, -0.0000148500000000 ] - [ 0.0001388200000000, 0.0000012200000000, -0.0000175500000000 ] - [ -0.0006680900000000, 0.0000162300000000, 0.0000561500000000 ] - [ -0.0006780900000000, 0.0000156400000000, 0.0000505200000000 ] - [ -0.0002077400000000, -0.0000330200000000, 0.0006584300000000 ] - [ 0.0000668700000000, -0.0000309900000000, -0.0008014700000000 ] - [ 0.0032502500000000, -0.0000121400000000, -0.0001506100000000 ] - [ 0.0032504300000000, 0.0000146000000000, -0.0001508800000000 ] - [ -0.0003702100000000, -0.0000250400000000, 0.0001364100000000 ] - [ -0.0003711500000000, 0.0000311800000000, 0.0001318400000000 ] - [ -0.0032428400000000, -0.0001315200000000, 0.0006207700000000 ] - [ -0.0028757500000000, -0.0001063100000000, 0.0005240900000000 ] - [ 0.0038785900000000, 0.0000140800000000, -0.0013618500000000 ] - [ 0.0040184900000000, 0.0000164600000000, -0.0014253800000000 ] - [ 0.0015176000000000, -0.0006585600000000, 0.0022382500000000 ] - [ 0.0015244500000000, 0.0004389300000000, 0.0022644800000000 ] - [ 0.0002043500000000, -0.0000010000000000, 0.0005472400000000 ] - [ 0.0002111700000000, -0.0000006500000000, 0.0005662900000000 ] - [ 0.0015049400000000, -0.0013423500000000, 0.0003260700000000 ] - [ 0.0014849200000000, 0.0003159100000000, 0.0003302900000000 ] - [ 0.0004913100000000, -0.0000564300000000, 0.0000657500000000 ] - [ 0.0000071700000000, -0.0000538700000000, 0.0000858500000000 ] - [ -0.0004910600000000, 0.0000007100000000, -0.0001299700000000 ] - [ -0.0004875100000000, 0.0000001800000000, -0.0001336700000000 ] - [ 0.0010177400000000, -0.0015751000000000, 0.0054871300000000 ] - [ -0.0008249500000000, -0.0015153200000000, -0.0100895900000000 ] - [ -0.0003033200000000, -0.0002870700000000, -0.0012128700000000 ] - [ -0.0003032700000000, 0.0001768700000000, -0.0012114300000000 ] - [ -0.0050328100000000, -0.0000239000000000, -0.0007267200000000 ] - [ -0.0050355100000000, 0.0000231800000000, -0.0007268800000000 ] - [ -0.0000875000000000, -0.0353222700000000, 0.0010190700000000 ] - [ -0.0001998200000000, 0.0024706500000000, 0.0002103600000000 ] - [ -0.0001039900000000, 0.0000036700000000, 0.0003893200000000 ] - [ -0.0001337500000000, 0.0000033700000000, 0.0003590800000000 ] - [ 0.0049143000000000, -0.0000061300000000, 0.0014111300000000 ] - [ 0.0050342900000000, -0.0000006700000000, 0.0014939900000000 ] - [ 0.0006234200000000, 0.0000002300000000, 0.0008351100000000 ] - [ 0.0006259300000000, -0.0000000200000000, 0.0008479100000000 ] - [ 0.0006195800000000, -0.0000386300000000, 0.0009093600000000 ] - [ 0.0006212400000000, 0.0000650600000000, 0.0009094800000000 ] - [ 0.0020778800000000, -0.0013519400000000, 0.0001394200000000 ] - [ 0.0020628800000000, 0.0003106000000000, 0.0001283700000000 ] - [ 0.0000740700000000, -0.0024062800000000, -0.0000211700000000 ] - [ 0.0001425600000000, 0.0004339600000000, -0.0000148200000000 ] - [ -0.0006588300000000, -0.0000049000000000, 0.0000519500000000 ] - [ -0.0006948800000000, -0.0000046400000000, 0.0000511000000000 ] - [ -0.0000696000000000, 0.0000141500000000, -0.0000729800000000 ] - [ -0.0000709800000000, 0.0000100400000000, -0.0000737900000000 ] - [ 0.0040446000000000, 0.0086245200000000, -0.0083312500000000 ] - [ 0.0024671400000000, 0.0084969200000000, 0.0078968200000000 ] - [ -0.0003418800000000, -0.0000370400000000, 0.0001619500000000 ] - [ -0.0004037800000000, -0.0000450400000000, 0.0001037100000000 ] - [ -0.0030594100000000, -0.0000060100000000, 0.0005715400000000 ] - [ -0.0030611600000000, 0.0000043600000000, 0.0005713000000000 ] - [ 0.0039464800000000, 0.0000054500000000, -0.0013946900000000 ] - [ 0.0039468300000000, 0.0000212300000000, -0.0013939500000000 ] - [ 0.0015218900000000, 0.0000001900000000, 0.0022599700000000 ] - [ 0.0015190500000000, 0.0000020400000000, 0.0022597400000000 ] - [ 0.0002030500000000, -0.0003418900000000, 0.0005506900000000 ] - [ 0.0002085900000000, 0.0000929100000000, 0.0005732800000000 ] - [ 0.0014900900000000, 0.0000020900000000, 0.0003302900000000 ] - [ 0.0014799100000000, 0.0000025500000000, 0.0003255800000000 ] - [ 0.0002539500000000, -0.0000044500000000, 0.0000768100000000 ] - [ 0.0002476800000000, 0.0000101300000000, 0.0000761700000000 ] - [ -0.0004911100000000, -0.0013377200000000, -0.0001226800000000 ] - [ -0.0004812100000000, 0.0003166100000000, -0.0001317000000000 ] - [ 0.0000893300000000, -0.0000042500000000, -0.0023481400000000 ] - [ 0.0000890000000000, 0.0000076600000000, -0.0023492300000000 ] - [ -0.0003163700000000, -0.0000027800000000, -0.0011296700000000 ] - [ -0.0002870300000000, -0.0000022300000000, -0.0012983700000000 ] - [ -0.0050145200000000, -0.0000128600000000, -0.0007413000000000 ] - [ -0.0050467700000000, -0.0000044700000000, -0.0007105700000000 ] - [ -0.0001983700000000, 0.0000006300000000, 0.0001903300000000 ] - [ -0.0002047400000000, 0.0000000400000000, 0.0001763900000000 ]- atom: 77 displacement: [ -0.0050224591451928, 0.0000000000000000, 0.0086472483562616 ] forces: - [ 0.0084442600000000, 0.0000000000000000, -0.0083392200000000 ] - [ 0.0063361400000000, 0.0000000000000000, -0.0034707300000000 ] - [ -0.0060693100000000, 0.0000000000000000, -0.0036455900000000 ] - [ -0.0024289800000000, 0.0000000000000000, 0.0031840800000000 ] - [ -0.0008033600000000, -0.0000810400000000, -0.0011593500000000 ] - [ -0.0008033600000000, 0.0000810400000000, -0.0011593500000000 ] - [ -0.0001309000000000, 0.0001631000000000, -0.0027311400000000 ] - [ -0.0001309000000000, -0.0001631000000000, -0.0027311400000000 ] - [ -0.0050915900000000, 0.0000046300000000, -0.0017300900000000 ] - [ -0.0050915900000000, -0.0000046300000000, -0.0017300900000000 ] - [ -0.0187398900000000, 0.0000000000000000, 0.0074615800000000 ] - [ -0.0048841700000000, 0.0000000000000000, 0.0033774700000000 ] - [ 0.0012381300000000, 0.0000000000000000, -0.0127718800000000 ] - [ 0.0008360200000000, 0.0000000000000000, -0.0070558900000000 ] - [ -0.0146050600000000, 0.0000000000000000, 0.0036618600000000 ] - [ -0.0074652500000000, 0.0000000000000000, 0.0015415700000000 ] - [ -0.0006724900000000, -0.0047498900000000, -0.0107153100000000 ] - [ -0.0006724900000000, 0.0047498900000000, -0.0107153100000000 ] - [ 0.0088797200000000, 0.0000000000000000, 0.0082752000000000 ] - [ 0.0005356900000000, 0.0000000000000000, 0.0044549100000000 ] - [ 0.0010558500000000, 0.0003572700000000, -0.0006740100000000 ] - [ 0.0010558500000000, -0.0003572700000000, -0.0006740100000000 ] - [ 0.0149501900000000, 0.0000000000000000, 0.2721612600000000 ] - [ 0.0005410900000000, 0.0000000000000000, 0.0146790700000000 ] - [ -0.0045056900000000, -0.0006188800000000, -0.0033546100000000 ] - [ -0.0045056900000000, 0.0006188800000000, -0.0033546100000000 ] - [ -0.0019585600000000, 0.0002510500000000, -0.0036541600000000 ] - [ -0.0019585600000000, -0.0002510500000000, -0.0036541600000000 ] - [ -0.0042689200000000, 0.0000000000000000, -0.0049511600000000 ] - [ -0.0034961100000000, 0.0000000000000000, -0.0038555200000000 ] - [ -0.0065946500000000, -0.0006522400000000, 0.0015195500000000 ] - [ -0.0065946500000000, 0.0006522400000000, 0.0015195500000000 ] - [ 0.0235426100000000, 0.0000000000000000, 0.0021420700000000 ] - [ 0.0100876200000000, 0.0000000000000000, 0.0004879900000000 ] - [ -0.0025982800000000, 0.0001027100000000, 0.0016419600000000 ] - [ -0.0025982800000000, -0.0001027100000000, 0.0016419600000000 ] - [ -0.0015758300000000, 0.0000000000000000, 0.0232676600000000 ] - [ -0.0002198300000000, 0.0000000000000000, 0.0056293400000000 ] - [ 0.0028957600000000, 0.0000000000000000, 0.0018268200000000 ] - [ 0.0037382000000000, 0.0000000000000000, 0.0018653100000000 ] - [ -0.0011023100000000, 0.0000000000000000, 0.0082307400000000 ] - [ -0.0001635200000000, 0.0000000000000000, 0.0039707800000000 ] - [ 0.0005325100000000, -0.0009781400000000, 0.0024591800000000 ] - [ 0.0005325100000000, 0.0009781400000000, 0.0024591800000000 ] - [ 0.0024928400000000, -0.0000281000000000, 0.0005737100000000 ] - [ 0.0024928400000000, 0.0000281000000000, 0.0005737100000000 ] - [ 0.0007914100000000, 0.0000021100000000, 0.0003146200000000 ] - [ 0.0007914100000000, -0.0000021100000000, 0.0003146200000000 ] - [ -0.0062613900000000, 0.0000000000000000, 0.0015473100000000 ] - [ -0.0043563800000000, 0.0000000000000000, 0.0005583700000000 ] - [ -0.0004284200000000, 0.0003298000000000, 0.0050851700000000 ] - [ -0.0004284200000000, -0.0003298000000000, 0.0050851700000000 ] - [ 0.0035683500000000, 0.0000000000000000, 0.0002269600000000 ] - [ 0.0035666400000000, 0.0000000000000000, 0.0002236500000000 ] - [ -0.0028127000000000, 0.0000000000000000, 0.0023975100000000 ] - [ -0.0013205200000000, 0.0000000000000000, 0.0011350800000000 ] - [ -0.0055677700000000, 0.0007055500000000, 0.0018174000000000 ] - [ -0.0055677700000000, -0.0007055500000000, 0.0018174000000000 ] - [ 0.0026023400000000, 0.0010914100000000, -0.0013297500000000 ] - [ 0.0026023400000000, -0.0010914100000000, -0.0013297500000000 ] - [ -0.0011980500000000, 0.0000000000000000, 0.0158588600000000 ] - [ -0.0000671000000000, 0.0000000000000000, 0.0033562600000000 ] - [ 0.0002654000000000, -0.0000411800000000, 0.0006229000000000 ] - [ 0.0002654000000000, 0.0000411800000000, 0.0006229000000000 ] - [ -0.0201611900000000, 0.0000000000000000, 0.0061525600000000 ] - [ -0.0038027900000000, 0.0000000000000000, 0.0000485800000000 ] - [ 0.0025747800000000, 0.0004652800000000, 0.0010441600000000 ] - [ 0.0025747800000000, -0.0004652800000000, 0.0010441600000000 ] - [ 0.0013509300000000, -0.0000220000000000, 0.0000050500000000 ] - [ 0.0013509300000000, 0.0000220000000000, 0.0000050500000000 ] - [ -0.0000638400000000, 0.0230327600000000, 0.0019852400000000 ] - [ -0.0000638400000000, -0.0230327600000000, 0.0019852400000000 ] - [ -0.0000158500000000, 0.0000000000000000, -0.0090785200000000 ] - [ -0.0002450600000000, 0.0000000000000000, -0.0053384200000000 ] - [ -0.0031457400000000, 0.0000000000000000, -0.0007159500000000 ] - [ -0.0039658700000000, 0.0000000000000000, -0.0007179200000000 ] - [ -0.0174446000000000, 0.0000000000000000, -0.3328222300000000 ] - [ -0.0008429900000000, 0.0000000000000000, -0.0107534200000000 ] - [ 0.0003308200000000, 0.0000149900000000, 0.0020211900000000 ] - [ 0.0003308200000000, -0.0000149900000000, 0.0020211900000000 ] - [ 0.0062379700000000, -0.0008987200000000, 0.0012612000000000 ] - [ 0.0062379700000000, 0.0008987200000000, 0.0012612000000000 ] - [ 0.0009891600000000, -0.0000441000000000, 0.0018550900000000 ] - [ 0.0009891600000000, 0.0000441000000000, 0.0018550900000000 ] - [ 0.0018525200000000, 0.0000000000000000, 0.0016369600000000 ] - [ 0.0013080700000000, 0.0000000000000000, 0.0009207600000000 ] - [ 0.0195605200000000, 0.0000000000000000, 0.0027977700000000 ] - [ 0.0068418900000000, 0.0000000000000000, -0.0006089300000000 ] - [ 0.0385286500000000, 0.0000000000000000, -0.0063414100000000 ] - [ 0.0046753000000000, 0.0000000000000000, -0.0008498300000000 ] - [ 0.0018186700000000, 0.0000614400000000, 0.0005506800000000 ] - [ 0.0018186700000000, -0.0000614400000000, 0.0005506800000000 ] - [ 0.0007393500000000, 0.0000000000000000, 0.0027153500000000 ] - [ 0.0003153900000000, 0.0000000000000000, 0.0011192200000000 ] - [ 0.0034155500000000, -0.0179119200000000, 0.0079365400000000 ] - [ 0.0034155500000000, 0.0179119200000000, 0.0079365400000000 ] - [ 0.0013041200000000, 0.0013245800000000, 0.0002417800000000 ] - [ 0.0013041200000000, -0.0013245800000000, 0.0002417800000000 ] - [ -0.0016175300000000, 0.0000000000000000, 0.0009008000000000 ] - [ -0.0019832800000000, 0.0000000000000000, 0.0008378800000000 ] - [ 0.0063213300000000, 0.0000000000000000, -0.0014409300000000 ] - [ 0.0046773200000000, 0.0000000000000000, -0.0014794600000000 ] - [ 0.0023572300000000, -0.0002855300000000, 0.0028217800000000 ] - [ 0.0023572300000000, 0.0002855300000000, 0.0028217800000000 ] - [ -0.0001188800000000, 0.0000000000000000, -0.0126501800000000 ] - [ 0.0001126600000000, 0.0000000000000000, -0.0039991800000000 ] - [ 0.0034168800000000, 0.0000331800000000, 0.0009437500000000 ] - [ 0.0034168800000000, -0.0000331800000000, 0.0009437500000000 ] - [ 0.0028037500000000, 0.0000000000000000, 0.0004077100000000 ] - [ 0.0018593000000000, 0.0000000000000000, 0.0003203800000000 ] - [ -0.0298269500000000, 0.0000000000000000, 0.0089585400000000 ] - [ -0.0076651200000000, 0.0000000000000000, -0.0005987500000000 ] - [ 0.0005197400000000, 0.0000000000000000, -0.0015293200000000 ] - [ 0.0004664900000000, 0.0000000000000000, -0.0017332800000000 ] - [ -0.0002887200000000, 0.0000241800000000, -0.0012271700000000 ] - [ -0.0002887200000000, -0.0000241800000000, -0.0012271700000000 ] - [ -0.0068473900000000, -0.0012402600000000, -0.0009493300000000 ] - [ -0.0068473900000000, 0.0012402600000000, -0.0009493300000000 ] - [ 0.0000794100000000, -0.0000052100000000, 0.0010287300000000 ] - [ 0.0000794100000000, 0.0000052100000000, 0.0010287300000000 ]- atom: 77 displacement: [ 0.0050224591451928, 0.0000000000000000, -0.0086472483562616 ] forces: - [ -0.0040959000000000, 0.0000000000000000, 0.0060751900000000 ] - [ -0.0019811400000000, 0.0000000000000000, 0.0011260100000000 ] - [ -0.0009564200000000, 0.0000000000000000, 0.0014531000000000 ] - [ -0.0046006900000000, 0.0000000000000000, -0.0033612300000000 ] - [ -0.0018955000000000, 0.0000837600000000, 0.0011067100000000 ] - [ -0.0018955000000000, -0.0000837600000000, 0.0011067100000000 ] - [ 0.0045414100000000, -0.0001665800000000, 0.0003812900000000 ] - [ 0.0045414100000000, 0.0001665800000000, 0.0003812900000000 ] - [ -0.0019273600000000, -0.0000010800000000, 0.0016319900000000 ] - [ -0.0019273600000000, 0.0000010800000000, 0.0016319900000000 ] - [ 0.0162668400000000, 0.0000000000000000, -0.0075925900000000 ] - [ 0.0022461500000000, 0.0000000000000000, -0.0034818000000000 ] - [ -0.0022941900000000, 0.0000000000000000, 0.0092383300000000 ] - [ -0.0018898000000000, 0.0000000000000000, 0.0034421100000000 ] - [ 0.0081268100000000, 0.0000000000000000, -0.0053569600000000 ] - [ 0.0009232300000000, 0.0000000000000000, -0.0031793600000000 ] - [ -0.0017157400000000, 0.0047657200000000, 0.0063790100000000 ] - [ -0.0017157400000000, -0.0047657200000000, 0.0063790100000000 ] - [ -0.0168578300000000, 0.0000000000000000, -0.0045225200000000 ] - [ -0.0084173600000000, 0.0000000000000000, -0.0007226300000000 ] - [ 0.0061702600000000, -0.0003618900000000, 0.0001058100000000 ] - [ 0.0061702600000000, 0.0003618900000000, 0.0001058100000000 ] - [ -0.0134253100000000, 0.0000000000000000, -0.2533586500000000 ] - [ -0.0023300700000000, 0.0000000000000000, -0.0092481100000000 ] - [ 0.0034926700000000, 0.0006261100000000, -0.0002953000000000 ] - [ 0.0034926700000000, -0.0006261100000000, -0.0002953000000000 ] - [ -0.0046293000000000, -0.0002588200000000, 0.0020766700000000 ] - [ -0.0046293000000000, 0.0002588200000000, 0.0020766700000000 ] - [ 0.0019280600000000, 0.0000000000000000, 0.0005702500000000 ] - [ 0.0011465300000000, 0.0000000000000000, -0.0005411500000000 ] - [ -0.0012010900000000, 0.0006526100000000, 0.0022127300000000 ] - [ -0.0012010900000000, -0.0006526100000000, 0.0022127300000000 ] - [ -0.0165620300000000, 0.0000000000000000, -0.0027456300000000 ] - [ -0.0029282100000000, 0.0000000000000000, -0.0010827900000000 ] - [ 0.0008346900000000, -0.0001038400000000, 0.0037638000000000 ] - [ 0.0008346900000000, 0.0001038400000000, 0.0037638000000000 ] - [ 0.0013864100000000, 0.0000000000000000, -0.0228304500000000 ] - [ -0.0000182500000000, 0.0000000000000000, -0.0049253100000000 ] - [ 0.0070883700000000, 0.0000000000000000, 0.0010747000000000 ] - [ 0.0062264000000000, 0.0000000000000000, 0.0010380000000000 ] - [ 0.0023683500000000, 0.0000000000000000, -0.0066734300000000 ] - [ 0.0014231200000000, 0.0000000000000000, -0.0022950000000000 ] - [ 0.0007115800000000, 0.0009911800000000, -0.0006549900000000 ] - [ 0.0007115800000000, -0.0009911800000000, -0.0006549900000000 ] - [ 0.0016441500000000, 0.0000287400000000, -0.0003195600000000 ] - [ 0.0016441500000000, -0.0000287400000000, -0.0003195600000000 ] - [ -0.0005345700000000, -0.0000020700000000, -0.0003489700000000 ] - [ -0.0005345700000000, 0.0000020700000000, -0.0003489700000000 ] - [ 0.0049758100000000, 0.0000000000000000, -0.0014634500000000 ] - [ 0.0030357800000000, 0.0000000000000000, -0.0004718200000000 ] - [ 0.0002927200000000, -0.0003310000000000, -0.0052642600000000 ] - [ 0.0002927200000000, 0.0003310000000000, -0.0052642600000000 ] - [ 0.0029280800000000, 0.0000000000000000, -0.0005306100000000 ] - [ 0.0029299300000000, 0.0000000000000000, -0.0005276200000000 ] - [ 0.0020957600000000, 0.0000000000000000, -0.0021566100000000 ] - [ 0.0005930300000000, 0.0000000000000000, -0.0008808800000000 ] - [ -0.0005285900000000, -0.0007220100000000, -0.0007010700000000 ] - [ -0.0005285900000000, 0.0007220100000000, -0.0007010700000000 ] - [ 0.0053166000000000, -0.0011019700000000, -0.0014631100000000 ] - [ 0.0053166000000000, 0.0011019700000000, -0.0014631100000000 ] - [ 0.0042187000000000, 0.0000000000000000, -0.0113452600000000 ] - [ 0.0031238400000000, 0.0000000000000000, 0.0011495500000000 ] - [ 0.0001544100000000, 0.0000415400000000, 0.0004903100000000 ] - [ 0.0001544100000000, -0.0000415400000000, 0.0004903100000000 ] - [ 0.0231980800000000, 0.0000000000000000, -0.0054759700000000 ] - [ 0.0068218300000000, 0.0000000000000000, 0.0005965100000000 ] - [ -0.0020842500000000, -0.0004694700000000, -0.0009021800000000 ] - [ -0.0020842500000000, 0.0004694700000000, -0.0009021800000000 ] - [ -0.0023494900000000, 0.0000224900000000, -0.0002691800000000 ] - [ -0.0023494900000000, -0.0000224900000000, -0.0002691800000000 ] - [ 0.0002296600000000, -0.0230056900000000, -0.0067400700000000 ] - [ 0.0002296600000000, 0.0230056900000000, -0.0067400700000000 ] - [ -0.0005507200000000, 0.0000000000000000, 0.0067225200000000 ] - [ -0.0003518300000000, 0.0000000000000000, 0.0029428000000000 ] - [ -0.0069345800000000, 0.0000000000000000, -0.0007328800000000 ] - [ -0.0061022500000000, 0.0000000000000000, -0.0007315900000000 ] - [ 0.0134542300000000, 0.0000000000000000, 0.3227220200000000 ] - [ 0.0004342300000000, 0.0000000000000000, 0.0111580500000000 ] - [ -0.0005720600000000, -0.0000150800000000, -0.0012761000000000 ] - [ -0.0005720600000000, 0.0000150800000000, -0.0012761000000000 ] - [ 0.0037079700000000, 0.0009074600000000, 0.0016505000000000 ] - [ 0.0037079700000000, -0.0009074600000000, 0.0016505000000000 ] - [ 0.0002610400000000, 0.0000454900000000, -0.0001745600000000 ] - [ 0.0002610400000000, -0.0000454900000000, -0.0001745600000000 ] - [ -0.0006250700000000, 0.0000000000000000, 0.0001735200000000 ] - [ -0.0000711800000000, 0.0000000000000000, 0.0008929900000000 ] - [ -0.0156969300000000, 0.0000000000000000, -0.0025308700000000 ] - [ -0.0027612600000000, 0.0000000000000000, 0.0008797800000000 ] - [ -0.0383213500000000, 0.0000000000000000, 0.0060680900000000 ] - [ -0.0044402800000000, 0.0000000000000000, 0.0008164200000000 ] - [ -0.0031898700000000, -0.0000618200000000, -0.0004546200000000 ] - [ -0.0031898700000000, 0.0000618200000000, -0.0004546200000000 ] - [ -0.0008826400000000, 0.0000000000000000, -0.0028786500000000 ] - [ -0.0004581400000000, 0.0000000000000000, -0.0012595200000000 ] - [ 0.0030572200000000, 0.0182729500000000, -0.0082928000000000 ] - [ 0.0030572200000000, -0.0182729500000000, -0.0082928000000000 ] - [ -0.0020674700000000, -0.0013207900000000, 0.0000219900000000 ] - [ -0.0020674700000000, 0.0013207900000000, 0.0000219900000000 ] - [ -0.0045145000000000, 0.0000000000000000, 0.0002304900000000 ] - [ -0.0041434300000000, 0.0000000000000000, 0.0002940500000000 ] - [ 0.0015621800000000, 0.0000000000000000, -0.0013452600000000 ] - [ 0.0032047700000000, 0.0000000000000000, -0.0013069500000000 ] - [ 0.0006777900000000, 0.0002901200000000, 0.0016913300000000 ] - [ 0.0006777900000000, -0.0002901200000000, 0.0016913300000000 ] - [ 0.0005218900000000, 0.0000000000000000, 0.0139009700000000 ] - [ 0.0002988900000000, 0.0000000000000000, 0.0051958600000000 ] - [ -0.0004602900000000, -0.0000331700000000, -0.0002947900000000 ] - [ -0.0004602900000000, 0.0000331700000000, -0.0002947900000000 ] - [ -0.0023391100000000, 0.0000000000000000, -0.0002544600000000 ] - [ -0.0013784800000000, 0.0000000000000000, -0.0001687600000000 ] - [ 0.0294006500000000, 0.0000000000000000, -0.0093778600000000 ] - [ 0.0067471300000000, 0.0000000000000000, 0.0003492700000000 ] - [ -0.0003446600000000, 0.0000000000000000, -0.0031750700000000 ] - [ -0.0002908900000000, 0.0000000000000000, -0.0029681900000000 ] - [ -0.0003152400000000, -0.0000241600000000, -0.0011992900000000 ] - [ -0.0003152400000000, 0.0000241600000000, -0.0011992900000000 ] - [ -0.0031934200000000, 0.0012623500000000, -0.0004945900000000 ] - [ -0.0031934200000000, -0.0012623500000000, -0.0004945900000000 ] - [ -0.0004832300000000, 0.0000054100000000, -0.0006720400000000 ] - [ -0.0004832300000000, -0.0000054100000000, -0.0006720400000000 ]