# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b92e8ab4-94a5-4641-9936-b0dc154ab363/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 Tb3Se2ClO8 / Pnma (62) / materials id 558490](https://mdr.nims.go.jp/datasets/c0b64f67-ee3e-4063-b0c4-91767471f855) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.316459220000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.180876050000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.697781060000001 ] # c points: - symbol: Tb # 1 coordinates: [ 0.490630540000000, 0.424016690000000, 0.133805280000000 ] mass: 158.925350 - symbol: Tb # 2 coordinates: [ 0.028634060000000, 0.750000000000000, 0.857678200000000 ] mass: 158.925350 - symbol: Tb # 3 coordinates: [ 0.990630540000000, 0.075983310000000, 0.366194720000000 ] mass: 158.925350 - symbol: Tb # 4 coordinates: [ 0.971365940000000, 0.250000000000000, 0.142321800000000 ] mass: 158.925350 - symbol: Tb # 5 coordinates: [ 0.471365940000000, 0.250000000000000, 0.357678200000000 ] mass: 158.925350 - symbol: Tb # 6 coordinates: [ 0.528634060000000, 0.750000000000000, 0.642321800000000 ] mass: 158.925350 - symbol: Tb # 7 coordinates: [ 0.509369460000000, 0.924016690000000, 0.866194720000000 ] mass: 158.925350 - symbol: Tb # 8 coordinates: [ 0.009369460000000, 0.924016690000000, 0.633805280000000 ] mass: 158.925350 - symbol: Tb # 9 coordinates: [ 0.509369460000000, 0.575983310000000, 0.866194720000000 ] mass: 158.925350 - symbol: Tb # 10 coordinates: [ 0.990630540000000, 0.424016690000000, 0.366194720000000 ] mass: 158.925350 - symbol: Tb # 11 coordinates: [ 0.009369460000000, 0.575983310000000, 0.633805280000000 ] mass: 158.925350 - symbol: Tb # 12 coordinates: [ 0.490630540000000, 0.075983310000000, 0.133805280000000 ] mass: 158.925350 - symbol: Se # 13 coordinates: [ 0.041171860000000, 0.099493780000000, 0.874209600000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.958828140000000, 0.599493780000000, 0.125790400000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.541171860000000, 0.099493780000000, 0.625790400000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.458828140000000, 0.900506220000000, 0.374209600000000 ] mass: 78.960000 - symbol: Se # 17 coordinates: [ 0.458828140000000, 0.599493780000000, 0.374209600000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.958828140000000, 0.900506220000000, 0.125790400000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.541171860000000, 0.400506220000000, 0.625790400000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.041171860000000, 0.400506220000000, 0.874209600000000 ] mass: 78.960000 - symbol: Cl # 21 coordinates: [ 0.589213210000000, 0.750000000000000, 0.998250890000000 ] mass: 35.453000 - symbol: Cl # 22 coordinates: [ 0.410786790000000, 0.250000000000000, 0.001749110000000 ] mass: 35.453000 - symbol: Cl # 23 coordinates: [ 0.089213210000000, 0.750000000000000, 0.501749110000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.910786790000000, 0.250000000000000, 0.498250890000000 ] mass: 35.453000 - symbol: O # 25 coordinates: [ 0.198332160000000, 0.950933330000000, 0.441778950000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.129959430000000, 0.630097420000000, 0.997609720000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.376560820000000, 0.010317500000000, 0.685372290000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.230741330000000, 0.158213340000000, 0.248070680000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.370040570000000, 0.130097420000000, 0.497609720000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.870040570000000, 0.130097420000000, 0.002390280000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.876560820000000, 0.489682500000000, 0.814627710000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.123439180000000, 0.989682500000000, 0.185372290000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.623439180000000, 0.510317500000000, 0.314627710000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.269258670000000, 0.658213340000000, 0.748070680000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.801667840000000, 0.049066670000000, 0.558221050000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.269258670000000, 0.841786660000000, 0.748070680000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.769258670000000, 0.658213340000000, 0.751929320000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.730741330000000, 0.341786660000000, 0.251929320000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.698332160000000, 0.950933330000000, 0.058221050000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.629959430000000, 0.869902580000000, 0.502390280000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.629959430000000, 0.630097420000000, 0.502390280000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.769258670000000, 0.841786660000000, 0.751929320000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.230741330000000, 0.341786660000000, 0.248070680000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.623439180000000, 0.989682500000000, 0.314627710000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.198332160000000, 0.549066670000000, 0.441778950000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.698332160000000, 0.549066670000000, 0.058221050000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.730741330000000, 0.158213340000000, 0.251929320000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.370040570000000, 0.369902580000000, 0.497609720000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.129959430000000, 0.869902580000000, 0.997609720000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.801667840000000, 0.450933330000000, 0.558221050000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.301667840000000, 0.450933330000000, 0.941778950000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.876560820000000, 0.010317500000000, 0.814627710000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.870040570000000, 0.369902580000000, 0.002390280000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.123439180000000, 0.510317500000000, 0.185372290000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.301667840000000, 0.049066670000000, 0.941778950000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.376560820000000, 0.489682500000000, 0.685372290000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.188095113424006, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.065872351286341, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.093477329026586 ] # c*unit_cell: lattice: - [ 5.316459220000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.180876050000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.697781060000001 ] # c points: - symbol: Tb # 1 coordinates: [ 0.490630540000000, 0.424016690000000, 0.133805280000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 2 coordinates: [ 0.028634060000000, 0.750000000000000, 0.857678200000000 ] mass: 158.925350 reduced_to: 2 - symbol: Tb # 3 coordinates: [ 0.990630540000000, 0.075983310000000, 0.366194720000000 ] mass: 158.925350 reduced_to: 3 - symbol: Tb # 4 coordinates: [ 0.971365940000000, 0.250000000000000, 0.142321800000000 ] mass: 158.925350 reduced_to: 4 - symbol: Tb # 5 coordinates: [ 0.471365940000000, 0.250000000000000, 0.357678200000000 ] mass: 158.925350 reduced_to: 5 - symbol: Tb # 6 coordinates: [ 0.528634060000000, 0.750000000000000, 0.642321800000000 ] mass: 158.925350 reduced_to: 6 - symbol: Tb # 7 coordinates: [ 0.509369460000000, 0.924016690000000, 0.866194720000000 ] mass: 158.925350 reduced_to: 7 - symbol: Tb # 8 coordinates: [ 0.009369460000000, 0.924016690000000, 0.633805280000000 ] mass: 158.925350 reduced_to: 8 - symbol: Tb # 9 coordinates: [ 0.509369460000000, 0.575983310000000, 0.866194720000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 10 coordinates: [ 0.990630540000000, 0.424016690000000, 0.366194720000000 ] mass: 158.925350 reduced_to: 10 - symbol: Tb # 11 coordinates: [ 0.009369460000000, 0.575983310000000, 0.633805280000000 ] mass: 158.925350 reduced_to: 11 - symbol: Tb # 12 coordinates: [ 0.490630540000000, 0.075983310000000, 0.133805280000000 ] mass: 158.925350 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.041171860000000, 0.099493780000000, 0.874209600000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.958828140000000, 0.599493780000000, 0.125790400000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.541171860000000, 0.099493780000000, 0.625790400000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.458828140000000, 0.900506220000000, 0.374209600000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.458828140000000, 0.599493780000000, 0.374209600000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.958828140000000, 0.900506220000000, 0.125790400000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.541171860000000, 0.400506220000000, 0.625790400000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.041171860000000, 0.400506220000000, 0.874209600000000 ] mass: 78.960000 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.589213210000000, 0.750000000000000, 0.998250890000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.410786790000000, 0.250000000000000, 0.001749110000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.089213210000000, 0.750000000000000, 0.501749110000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.910786790000000, 0.250000000000000, 0.498250890000000 ] mass: 35.453000 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.198332160000000, 0.950933330000000, 0.441778950000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.129959430000000, 0.630097420000000, 0.997609720000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.376560820000000, 0.010317500000000, 0.685372290000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.230741330000000, 0.158213340000000, 0.248070680000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.370040570000000, 0.130097420000000, 0.497609720000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.870040570000000, 0.130097420000000, 0.002390280000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.876560820000000, 0.489682500000000, 0.814627710000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.123439180000000, 0.989682500000000, 0.185372290000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.623439180000000, 0.510317500000000, 0.314627710000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.269258670000000, 0.658213340000000, 0.748070680000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.801667840000000, 0.049066670000000, 0.558221050000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.269258670000000, 0.841786660000000, 0.748070680000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.769258670000000, 0.658213340000000, 0.751929320000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.730741330000000, 0.341786660000000, 0.251929320000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.698332160000000, 0.950933330000000, 0.058221050000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.629959430000000, 0.869902580000000, 0.502390280000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.629959430000000, 0.630097420000000, 0.502390280000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.769258670000000, 0.841786660000000, 0.751929320000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.230741330000000, 0.341786660000000, 0.248070680000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.623439180000000, 0.989682500000000, 0.314627710000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.198332160000000, 0.549066670000000, 0.441778950000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.698332160000000, 0.549066670000000, 0.058221050000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.730741330000000, 0.158213340000000, 0.251929320000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.370040570000000, 0.369902580000000, 0.497609720000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.129959430000000, 0.869902580000000, 0.997609720000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.801667840000000, 0.450933330000000, 0.558221050000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.301667840000000, 0.450933330000000, 0.941778950000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.876560820000000, 0.010317500000000, 0.814627710000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.870040570000000, 0.369902580000000, 0.002390280000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.123439180000000, 0.510317500000000, 0.185372290000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.301667840000000, 0.049066670000000, 0.941778950000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.376560820000000, 0.489682500000000, 0.685372290000000 ] mass: 15.999400 reduced_to: 56supercell: lattice: - [ 10.632918439999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.180876050000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.697781060000001 ] # c points: - symbol: Tb # 1 coordinates: [ 0.245315270000000, 0.424016690000000, 0.133805280000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 2 coordinates: [ 0.745315270000000, 0.424016690000000, 0.133805280000000 ] mass: 158.925350 reduced_to: 1 - symbol: Tb # 3 coordinates: [ 0.014317030000000, 0.750000000000000, 0.857678200000000 ] mass: 158.925350 reduced_to: 3 - symbol: Tb # 4 coordinates: [ 0.514317030000000, 0.750000000000000, 0.857678200000000 ] mass: 158.925350 reduced_to: 3 - symbol: Tb # 5 coordinates: [ 0.495315270000000, 0.075983310000000, 0.366194720000000 ] mass: 158.925350 reduced_to: 5 - symbol: Tb # 6 coordinates: [ 0.995315270000000, 0.075983310000000, 0.366194720000000 ] mass: 158.925350 reduced_to: 5 - symbol: Tb # 7 coordinates: [ 0.485682970000000, 0.250000000000000, 0.142321800000000 ] mass: 158.925350 reduced_to: 7 - symbol: Tb # 8 coordinates: [ 0.985682970000000, 0.250000000000000, 0.142321800000000 ] mass: 158.925350 reduced_to: 7 - symbol: Tb # 9 coordinates: [ 0.235682970000000, 0.250000000000000, 0.357678200000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 10 coordinates: [ 0.735682970000000, 0.250000000000000, 0.357678200000000 ] mass: 158.925350 reduced_to: 9 - symbol: Tb # 11 coordinates: [ 0.264317030000000, 0.750000000000000, 0.642321800000000 ] mass: 158.925350 reduced_to: 11 - symbol: Tb # 12 coordinates: [ 0.764317030000000, 0.750000000000000, 0.642321800000000 ] mass: 158.925350 reduced_to: 11 - symbol: Tb # 13 coordinates: [ 0.254684730000000, 0.924016690000000, 0.866194720000000 ] mass: 158.925350 reduced_to: 13 - symbol: Tb # 14 coordinates: [ 0.754684730000000, 0.924016690000000, 0.866194720000000 ] mass: 158.925350 reduced_to: 13 - symbol: Tb # 15 coordinates: [ 0.004684730000000, 0.924016690000000, 0.633805280000000 ] mass: 158.925350 reduced_to: 15 - symbol: Tb # 16 coordinates: [ 0.504684730000000, 0.924016690000000, 0.633805280000000 ] mass: 158.925350 reduced_to: 15 - symbol: Tb # 17 coordinates: [ 0.254684730000000, 0.575983310000000, 0.866194720000000 ] mass: 158.925350 reduced_to: 17 - symbol: Tb # 18 coordinates: [ 0.754684730000000, 0.575983310000000, 0.866194720000000 ] mass: 158.925350 reduced_to: 17 - symbol: Tb # 19 coordinates: [ 0.495315270000000, 0.424016690000000, 0.366194720000000 ] mass: 158.925350 reduced_to: 19 - symbol: Tb # 20 coordinates: [ 0.995315270000000, 0.424016690000000, 0.366194720000000 ] mass: 158.925350 reduced_to: 19 - symbol: Tb # 21 coordinates: [ 0.004684730000000, 0.575983310000000, 0.633805280000000 ] mass: 158.925350 reduced_to: 21 - symbol: Tb # 22 coordinates: [ 0.504684730000000, 0.575983310000000, 0.633805280000000 ] mass: 158.925350 reduced_to: 21 - symbol: Tb # 23 coordinates: [ 0.245315270000000, 0.075983310000000, 0.133805280000000 ] mass: 158.925350 reduced_to: 23 - symbol: Tb # 24 coordinates: [ 0.745315270000000, 0.075983310000000, 0.133805280000000 ] mass: 158.925350 reduced_to: 23 - symbol: Se # 25 coordinates: [ 0.020585930000000, 0.099493780000000, 0.874209600000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.520585930000000, 0.099493780000000, 0.874209600000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 27 coordinates: [ 0.479414070000000, 0.599493780000000, 0.125790400000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.979414070000000, 0.599493780000000, 0.125790400000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 29 coordinates: [ 0.270585930000000, 0.099493780000000, 0.625790400000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.770585930000000, 0.099493780000000, 0.625790400000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 31 coordinates: [ 0.229414070000000, 0.900506220000000, 0.374209600000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.729414070000000, 0.900506220000000, 0.374209600000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 33 coordinates: [ 0.229414070000000, 0.599493780000000, 0.374209600000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.729414070000000, 0.599493780000000, 0.374209600000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 35 coordinates: [ 0.479414070000000, 0.900506220000000, 0.125790400000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.979414070000000, 0.900506220000000, 0.125790400000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 37 coordinates: [ 0.270585930000000, 0.400506220000000, 0.625790400000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.770585930000000, 0.400506220000000, 0.625790400000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.020585930000000, 0.400506220000000, 0.874209600000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.520585930000000, 0.400506220000000, 0.874209600000000 ] mass: 78.960000 reduced_to: 39 - symbol: Cl # 41 coordinates: [ 0.294606605000000, 0.750000000000000, 0.998250890000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.794606605000000, 0.750000000000000, 0.998250890000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 43 coordinates: [ 0.205393395000000, 0.250000000000000, 0.001749110000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 44 coordinates: [ 0.705393395000000, 0.250000000000000, 0.001749110000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 45 coordinates: [ 0.044606605000000, 0.750000000000000, 0.501749110000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.544606605000000, 0.750000000000000, 0.501749110000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 47 coordinates: [ 0.455393395000000, 0.250000000000000, 0.498250890000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.955393395000000, 0.250000000000000, 0.498250890000000 ] mass: 35.453000 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.099166080000000, 0.950933330000000, 0.441778950000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.599166080000000, 0.950933330000000, 0.441778950000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.064979715000000, 0.630097420000000, 0.997609720000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.564979715000000, 0.630097420000000, 0.997609720000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.188280410000000, 0.010317500000000, 0.685372290000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.688280410000000, 0.010317500000000, 0.685372290000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.115370665000000, 0.158213340000000, 0.248070680000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.615370665000000, 0.158213340000000, 0.248070680000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.185020285000000, 0.130097420000000, 0.497609720000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.685020285000000, 0.130097420000000, 0.497609720000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.435020285000000, 0.130097420000000, 0.002390280000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.935020285000000, 0.130097420000000, 0.002390280000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.438280410000000, 0.489682500000000, 0.814627710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.938280410000000, 0.489682500000000, 0.814627710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.061719590000000, 0.989682500000000, 0.185372290000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.561719590000000, 0.989682500000000, 0.185372290000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.311719590000000, 0.510317500000000, 0.314627710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.811719590000000, 0.510317500000000, 0.314627710000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.134629335000000, 0.658213340000000, 0.748070680000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.634629335000000, 0.658213340000000, 0.748070680000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.400833920000000, 0.049066670000000, 0.558221050000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.900833920000000, 0.049066670000000, 0.558221050000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.134629335000000, 0.841786660000000, 0.748070680000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.634629335000000, 0.841786660000000, 0.748070680000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.384629335000000, 0.658213340000000, 0.751929320000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.884629335000000, 0.658213340000000, 0.751929320000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.365370665000000, 0.341786660000000, 0.251929320000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.865370665000000, 0.341786660000000, 0.251929320000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.349166080000000, 0.950933330000000, 0.058221050000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.849166080000000, 0.950933330000000, 0.058221050000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.314979715000000, 0.869902580000000, 0.502390280000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.814979715000000, 0.869902580000000, 0.502390280000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.314979715000000, 0.630097420000000, 0.502390280000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.814979715000000, 0.630097420000000, 0.502390280000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.384629335000000, 0.841786660000000, 0.751929320000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.884629335000000, 0.841786660000000, 0.751929320000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.115370665000000, 0.341786660000000, 0.248070680000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.615370665000000, 0.341786660000000, 0.248070680000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.311719590000000, 0.989682500000000, 0.314627710000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.811719590000000, 0.989682500000000, 0.314627710000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.099166080000000, 0.549066670000000, 0.441778950000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.599166080000000, 0.549066670000000, 0.441778950000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.349166080000000, 0.549066670000000, 0.058221050000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.849166080000000, 0.549066670000000, 0.058221050000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.365370665000000, 0.158213340000000, 0.251929320000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.865370665000000, 0.158213340000000, 0.251929320000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.185020285000000, 0.369902580000000, 0.497609720000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.685020285000000, 0.369902580000000, 0.497609720000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.064979715000000, 0.869902580000000, 0.997609720000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.564979715000000, 0.869902580000000, 0.997609720000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.400833920000000, 0.450933330000000, 0.558221050000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.900833920000000, 0.450933330000000, 0.558221050000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.150833920000000, 0.450933330000000, 0.941778950000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.650833920000000, 0.450933330000000, 0.941778950000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.438280410000000, 0.010317500000000, 0.814627710000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.938280410000000, 0.010317500000000, 0.814627710000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.435020285000000, 0.369902580000000, 0.002390280000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.935020285000000, 0.369902580000000, 0.002390280000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.061719590000000, 0.510317500000000, 0.185372290000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.561719590000000, 0.510317500000000, 0.185372290000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.150833920000000, 0.049066670000000, 0.941778950000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.650833920000000, 0.049066670000000, 0.941778950000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.188280410000000, 0.489682500000000, 0.685372290000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.688280410000000, 0.489682500000000, 0.685372290000000 ] mass: 15.999400 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1170612100000000, 0.0032998600000000, -0.0148519400000000 ] - [ 0.0148777900000000, 0.0006358300000000, 0.0001231600000000 ] - [ -0.0002849500000000, -0.0028444900000000, 0.0026975600000000 ] - [ 0.0004161900000000, 0.0025072900000000, -0.0012488900000000 ] - [ 0.0003066000000000, -0.0019534000000000, 0.0005960000000000 ] - [ 0.0003145300000000, 0.0010529400000000, -0.0011035800000000 ] - [ 0.0102452100000000, -0.0183801200000000, -0.0012356300000000 ] - [ 0.0111867800000000, 0.0162083800000000, 0.0011735200000000 ] - [ -0.0170130000000000, -0.0001345400000000, -0.0008210700000000 ] - [ 0.0047275100000000, -0.0001206000000000, 0.0007917300000000 ] - [ -0.0011669200000000, 0.0006172000000000, 0.0001048800000000 ] - [ 0.0009556700000000, 0.0001221600000000, 0.0001269700000000 ] - [ -0.0010483700000000, 0.0011657300000000, -0.0000864200000000 ] - [ 0.0008845700000000, 0.0001179800000000, 0.0000332200000000 ] - [ -0.0003362300000000, 0.0005753600000000, 0.0004462700000000 ] - [ 0.0001454100000000, 0.0006682500000000, 0.0000567200000000 ] - [ -0.0136426500000000, -0.0016630900000000, -0.0015094600000000 ] - [ 0.0081793200000000, -0.0003756000000000, 0.0007071700000000 ] - [ 0.0137493800000000, 0.0046554700000000, 0.0185880600000000 ] - [ 0.0136941800000000, -0.0027447800000000, -0.0192743900000000 ] - [ -0.0008027600000000, -0.0021158800000000, 0.0023375800000000 ] - [ 0.0010953000000000, 0.0012769900000000, -0.0012312300000000 ] - [ -0.0027030300000000, 0.0008060900000000, -0.0009626000000000 ] - [ 0.0021742300000000, -0.0009355600000000, 0.0002781600000000 ] - [ -0.0002121300000000, 0.0007225500000000, 0.0005615900000000 ] - [ 0.0004688400000000, -0.0012317100000000, -0.0005904900000000 ] - [ 0.0116039900000000, 0.0123339200000000, -0.0008450500000000 ] - [ 0.0128581400000000, -0.0133181000000000, 0.0114826600000000 ] - [ -0.0009557800000000, -0.0002485600000000, 0.0003605400000000 ] - [ 0.0008684200000000, -0.0003080700000000, 0.0002081300000000 ] - [ -0.0005048400000000, 0.0006457500000000, -0.0001801700000000 ] - [ 0.0006327300000000, 0.0003688200000000, -0.0004130600000000 ] - [ -0.0103231600000000, 0.0023718100000000, 0.0017374000000000 ] - [ 0.0049566900000000, -0.0010634400000000, -0.0014465400000000 ] - [ -0.0001308100000000, 0.0006013300000000, 0.0000353700000000 ] - [ 0.0002555600000000, -0.0000107000000000, 0.0002359300000000 ] - [ -0.0046750100000000, -0.0002808800000000, 0.0015546100000000 ] - [ 0.0042261700000000, 0.0006354700000000, -0.0001268400000000 ] - [ 0.0099285600000000, 0.0006605200000000, 0.0122223300000000 ] - [ 0.0100153800000000, 0.0096595800000000, -0.0106016400000000 ] - [ 0.0010573300000000, -0.0010125900000000, 0.0006806500000000 ] - [ -0.0012419800000000, 0.0005827200000000, -0.0007714000000000 ] - [ 0.0044335800000000, -0.0028933200000000, 0.0000502400000000 ] - [ -0.0027107000000000, 0.0005703500000000, -0.0001690200000000 ] - [ 0.0002518300000000, 0.0000496700000000, -0.0001033400000000 ] - [ -0.0003075800000000, -0.0003393600000000, -0.0000525400000000 ] - [ 0.0006060400000000, 0.0013824600000000, -0.0009496800000000 ] - [ -0.0007933800000000, -0.0008630000000000, 0.0006292900000000 ] - [ 0.0005388200000000, -0.0001164300000000, 0.0003486800000000 ] - [ -0.0003309500000000, 0.0004669000000000, 0.0005326900000000 ] - [ 0.0026127400000000, 0.0043111500000000, -0.0066620300000000 ] - [ -0.0037098700000000, -0.0028492700000000, 0.0047686600000000 ] - [ 0.0003864700000000, -0.0001905100000000, -0.0003479800000000 ] - [ -0.0003291200000000, -0.0004559400000000, -0.0002113100000000 ] - [ 0.0022185100000000, -0.0038710700000000, 0.0019061200000000 ] - [ -0.0019607700000000, 0.0021078300000000, -0.0013969800000000 ] - [ 0.0002371300000000, -0.0001973400000000, -0.0000207300000000 ] - [ -0.0005934200000000, -0.0002191000000000, -0.0005403200000000 ] - [ 0.0008774100000000, 0.0008869100000000, 0.0010900300000000 ] - [ -0.0002838500000000, -0.0014422500000000, -0.0008876500000000 ] - [ 0.0027279800000000, -0.0047001000000000, 0.0043709800000000 ] - [ -0.0035323900000000, 0.0046793600000000, -0.0029673800000000 ] - [ 0.0000510000000000, 0.0000804100000000, -0.0002635000000000 ] - [ -0.0001797000000000, 0.0004780900000000, -0.0001032200000000 ] - [ 0.0124317300000000, -0.0060760400000000, -0.0002819500000000 ] - [ -0.0049015000000000, 0.0019183700000000, 0.0013495700000000 ] - [ 0.0013237100000000, 0.0000433100000000, -0.0004872700000000 ] - [ -0.0017636200000000, -0.0001131700000000, 0.0001945800000000 ] - [ 0.0003955700000000, -0.0001894800000000, -0.0007714700000000 ] - [ -0.0005500800000000, -0.0003215500000000, -0.0000995800000000 ] - [ 0.0005071900000000, 0.0000741000000000, -0.0002092200000000 ] - [ -0.0009540800000000, -0.0004639300000000, 0.0000619700000000 ] - [ 0.0009551100000000, -0.0005900900000000, -0.0001874300000000 ] - [ -0.0013474000000000, 0.0007546500000000, -0.0006810700000000 ] - [ 0.0279806800000000, -0.0149689500000000, 0.0141620900000000 ] - [ -0.0068758400000000, -0.0009965600000000, 0.0002131700000000 ] - [ 0.0004932000000000, -0.0001554200000000, -0.0003510300000000 ] - [ -0.0003052800000000, 0.0005080100000000, -0.0005207800000000 ] - [ 0.0001858200000000, 0.0001239100000000, 0.0003373800000000 ] - [ -0.0001632400000000, 0.0002216700000000, 0.0001087100000000 ] - [ 0.0003844600000000, -0.0021015400000000, -0.0014420100000000 ] - [ -0.0008594800000000, -0.0001374600000000, -0.0001652100000000 ] - [ 0.0000254800000000, -0.0006401200000000, 0.0001514000000000 ] - [ -0.0007649000000000, 0.0002742100000000, -0.0006034100000000 ] - [ 0.0245879000000000, 0.0085077500000000, -0.0097227500000000 ] - [ -0.0068107800000000, 0.0011449600000000, -0.0005122700000000 ] - [ 0.0004286900000000, 0.0004497400000000, 0.0003044600000000 ] - [ -0.0005141200000000, -0.0000130500000000, 0.0002646100000000 ] - [ 0.0058746500000000, 0.0030948400000000, 0.0005320000000000 ] - [ -0.0033610600000000, -0.0028128400000000, 0.0003102800000000 ] - [ 0.0079195200000000, 0.0055646700000000, -0.0038494100000000 ] - [ -0.0093748400000000, -0.0029342900000000, -0.0050124600000000 ] - [ 0.0026710600000000, 0.0040602500000000, -0.0010735600000000 ] - [ -0.0019684100000000, -0.0016599500000000, 0.0010246300000000 ] - [ 0.0028205400000000, 0.0005993300000000, 0.0017461600000000 ] - [ -0.0019513000000000, 0.0004365700000000, -0.0015167800000000 ] - [ 0.0002530200000000, 0.0004342000000000, -0.0002773000000000 ] - [ -0.0002683200000000, 0.0001051800000000, -0.0000855500000000 ] - [ 0.0026106700000000, 0.0011676800000000, -0.0025515100000000 ] - [ -0.0029354800000000, -0.0002280200000000, 0.0018816700000000 ] - [ 0.0074010600000000, -0.0026476500000000, 0.0073088700000000 ] - [ -0.0085527200000000, -0.0039332700000000, -0.0016671100000000 ] - [ 0.0002112500000000, 0.0000326900000000, 0.0003945000000000 ] - [ -0.0002849700000000, -0.0009368000000000, -0.0001514700000000 ] - [ -0.0055628800000000, 0.0008759400000000, 0.0121421200000000 ] - [ -0.0051846100000000, -0.0016826000000000, -0.0022235900000000 ] - [ 0.0050432600000000, 0.0056487800000000, -0.0045193900000000 ] - [ -0.0067333000000000, -0.0027268900000000, -0.0017328400000000 ] - [ 0.0002940700000000, -0.0011024000000000, 0.0004907200000000 ] - [ -0.0005515800000000, 0.0001719700000000, 0.0002147700000000 ] - [ 0.0022320100000000, 0.0002073900000000, -0.0019323700000000 ] - [ -0.0024222800000000, 0.0005865700000000, 0.0005742900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1176043700000000, -0.0017407200000000, 0.0136874200000000 ] - [ -0.0147423300000000, 0.0002588900000000, 0.0001397000000000 ] - [ 0.0001752000000000, 0.0028574700000000, -0.0021298700000000 ] - [ -0.0005340000000000, -0.0025097100000000, 0.0018311800000000 ] - [ -0.0001738400000000, 0.0010438800000000, -0.0008474200000000 ] - [ -0.0001659200000000, -0.0019640500000000, 0.0008502100000000 ] - [ -0.0101132600000000, 0.0182507000000000, 0.0006840500000000 ] - [ -0.0111101600000000, -0.0163405900000000, -0.0017583500000000 ] - [ 0.0171524800000000, 0.0001660100000000, 0.0013727600000000 ] - [ -0.0046172900000000, 0.0001045900000000, -0.0002000000000000 ] - [ 0.0010566700000000, -0.0006255800000000, -0.0006911600000000 ] - [ -0.0010699200000000, -0.0001165300000000, -0.0007058800000000 ] - [ 0.0009057200000000, -0.0002542100000000, -0.0001666100000000 ] - [ -0.0010246100000000, 0.0007936200000000, -0.0002889000000000 ] - [ 0.0001984200000000, 0.0003341600000000, -0.0001910600000000 ] - [ -0.0002892800000000, 0.0002400400000000, 0.0001975300000000 ] - [ 0.0135026000000000, 0.0006990100000000, 0.0013284700000000 ] - [ -0.0083267800000000, -0.0005136300000000, -0.0009826000000000 ] - [ -0.0135570800000000, -0.0037451800000000, -0.0186711600000000 ] - [ -0.0136126200000000, 0.0036417400000000, 0.0191979800000000 ] - [ 0.0006758100000000, 0.0012072700000000, -0.0020854000000000 ] - [ -0.0012509900000000, -0.0021767600000000, 0.0014751600000000 ] - [ 0.0028378100000000, -0.0016977700000000, 0.0012033900000000 ] - [ -0.0020312400000000, 0.0000176400000000, -0.0000274400000000 ] - [ 0.0001251300000000, -0.0013487100000000, -0.0009123300000000 ] - [ -0.0005782800000000, 0.0005934400000000, 0.0002360600000000 ] - [ -0.0116081500000000, -0.0128308400000000, 0.0011222700000000 ] - [ -0.0129006900000000, 0.0128699200000000, -0.0111501700000000 ] - [ 0.0008492200000000, -0.0003848200000000, -0.0000055400000000 ] - [ -0.0009709300000000, -0.0003294400000000, 0.0001472200000000 ] - [ 0.0006114000000000, -0.0000113300000000, -0.0001730100000000 ] - [ -0.0005296600000000, 0.0002664500000000, 0.0000611400000000 ] - [ 0.0105202400000000, -0.0030738900000000, -0.0021495300000000 ] - [ -0.0048626500000000, 0.0004439600000000, 0.0011127500000000 ] - [ 0.0002314300000000, 0.0000334200000000, 0.0003172400000000 ] - [ -0.0001484800000000, 0.0006487100000000, 0.0001177800000000 ] - [ 0.0045647700000000, 0.0009183900000000, -0.0012041700000000 ] - [ -0.0043282500000000, -0.0000035000000000, 0.0004821500000000 ] - [ -0.0099226100000000, 0.0000121100000000, -0.0127102000000000 ] - [ -0.0100363100000000, -0.0090207600000000, 0.0101420900000000 ] - [ -0.0011581000000000, 0.0010150000000000, -0.0007039800000000 ] - [ 0.0011463700000000, -0.0005875800000000, 0.0007517300000000 ] - [ -0.0043651100000000, 0.0028777700000000, -0.0000197000000000 ] - [ 0.0028066700000000, -0.0005609600000000, 0.0001916900000000 ] - [ -0.0003535000000000, -0.0000489200000000, 0.0001284500000000 ] - [ 0.0002121600000000, 0.0003388100000000, 0.0000755400000000 ] - [ -0.0005028200000000, -0.0013840300000000, 0.0009310400000000 ] - [ 0.0008868900000000, 0.0008672900000000, -0.0006543000000000 ] - [ -0.0003769400000000, 0.0005982100000000, 0.0005022700000000 ] - [ 0.0004961200000000, 0.0000130300000000, 0.0003169200000000 ] - [ -0.0026375500000000, -0.0048975700000000, 0.0063616400000000 ] - [ 0.0037339200000000, 0.0023079400000000, -0.0051134200000000 ] - [ -0.0003336000000000, -0.0004468100000000, -0.0000741600000000 ] - [ 0.0003826500000000, -0.0001775700000000, -0.0002112500000000 ] - [ -0.0016429800000000, 0.0040903500000000, -0.0017383900000000 ] - [ 0.0025476500000000, -0.0018792700000000, 0.0015598500000000 ] - [ -0.0002180200000000, -0.0003495300000000, -0.0003126600000000 ] - [ 0.0006138100000000, -0.0003240700000000, 0.0002035600000000 ] - [ -0.0008517600000000, -0.0014298400000000, -0.0007552900000000 ] - [ 0.0002946200000000, 0.0008988600000000, 0.0012290900000000 ] - [ -0.0026663500000000, 0.0053126100000000, -0.0039216700000000 ] - [ 0.0035540200000000, -0.0040379500000000, 0.0033901900000000 ] - [ -0.0001078000000000, 0.0005521300000000, -0.0001580900000000 ] - [ 0.0001290300000000, 0.0001597800000000, -0.0003184200000000 ] - [ -0.0124619700000000, 0.0055251700000000, 0.0007885900000000 ] - [ 0.0048622700000000, -0.0025689700000000, -0.0009415500000000 ] - [ -0.0019176600000000, 0.0001779300000000, 0.0006561800000000 ] - [ 0.0011835800000000, 0.0003255300000000, -0.0000264200000000 ] - [ -0.0005570200000000, -0.0002922100000000, -0.0000805400000000 ] - [ 0.0003845900000000, -0.0001574600000000, -0.0007515200000000 ] - [ -0.0010965300000000, -0.0002925600000000, 0.0003786400000000 ] - [ 0.0003709900000000, 0.0002450500000000, 0.0001049600000000 ] - [ -0.0015333900000000, 0.0008069300000000, 0.0000191200000000 ] - [ 0.0007581600000000, -0.0005391000000000, 0.0005189600000000 ] - [ -0.0268074800000000, 0.0139753900000000, -0.0134707700000000 ] - [ 0.0074724400000000, 0.0007969700000000, -0.0003928800000000 ] - [ -0.0003266300000000, 0.0006341400000000, -0.0004990900000000 ] - [ 0.0004677300000000, -0.0000277100000000, -0.0003288000000000 ] - [ -0.0002056500000000, 0.0004225300000000, -0.0000037000000000 ] - [ 0.0001426600000000, 0.0003241700000000, 0.0002246500000000 ] - [ -0.0004020600000000, 0.0015841600000000, 0.0018125800000000 ] - [ 0.0008358600000000, -0.0004116200000000, 0.0004916900000000 ] - [ -0.0006087100000000, 0.0004238300000000, -0.0003182200000000 ] - [ 0.0001790600000000, -0.0004960400000000, 0.0004384100000000 ] - [ -0.0246433600000000, -0.0094725300000000, 0.0106058600000000 ] - [ 0.0073954300000000, -0.0013465800000000, 0.0006625600000000 ] - [ -0.0004807900000000, 0.0001847400000000, 0.0001189200000000 ] - [ 0.0004609500000000, 0.0006498800000000, 0.0001562000000000 ] - [ -0.0057534100000000, -0.0035983500000000, 0.0003195300000000 ] - [ 0.0035361500000000, 0.0023357400000000, 0.0005315300000000 ] - [ -0.0074589700000000, -0.0056048700000000, 0.0028632600000000 ] - [ 0.0095602000000000, 0.0024472700000000, 0.0041790900000000 ] - [ -0.0020755100000000, -0.0038456500000000, 0.0009042300000000 ] - [ 0.0025521100000000, 0.0018877700000000, -0.0011934900000000 ] - [ -0.0028084000000000, -0.0000565100000000, -0.0020855800000000 ] - [ 0.0019715600000000, 0.0001097000000000, 0.0011792100000000 ] - [ -0.0002747000000000, 0.0001097700000000, -0.0000561800000000 ] - [ 0.0002500000000000, 0.0004407400000000, -0.0002488400000000 ] - [ -0.0027638000000000, -0.0006880900000000, 0.0017034600000000 ] - [ 0.0027729300000000, 0.0007060600000000, -0.0027422300000000 ] - [ -0.0077617200000000, 0.0031952200000000, -0.0068330900000000 ] - [ 0.0083814600000000, 0.0044054600000000, 0.0025251200000000 ] - [ -0.0001554900000000, -0.0006661600000000, 0.0000281600000000 ] - [ 0.0003329800000000, 0.0002954700000000, 0.0005725300000000 ] - [ 0.0058947500000000, -0.0004175600000000, -0.0119391000000000 ] - [ 0.0052174600000000, 0.0022415900000000, 0.0026804800000000 ] - [ -0.0058659800000000, -0.0057914100000000, 0.0043105900000000 ] - [ 0.0066559900000000, 0.0019667400000000, 0.0013155100000000 ] - [ -0.0004617600000000, 0.0006109800000000, 0.0003564800000000 ] - [ 0.0003897800000000, -0.0006509700000000, 0.0006368200000000 ] - [ -0.0021780500000000, 0.0004265900000000, 0.0015055900000000 ] - [ 0.0024746300000000, 0.0000477100000000, -0.0009932600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021497200000000, -0.1327549000000000, 0.0491898000000000 ] - [ 0.0002719100000000, -0.0092760200000000, 0.0020394900000000 ] - [ -0.0010164600000000, 0.0047095300000000, -0.0018316300000000 ] - [ 0.0006263800000000, 0.0051029800000000, -0.0025927200000000 ] - [ -0.0014342900000000, 0.0032357500000000, -0.0014131800000000 ] - [ 0.0015679000000000, 0.0032391400000000, -0.0019932500000000 ] - [ -0.0163454300000000, 0.0098955200000000, 0.0016665700000000 ] - [ 0.0160768900000000, 0.0067945900000000, 0.0004926900000000 ] - [ -0.0001750600000000, 0.0147385900000000, -0.0173385100000000 ] - [ 0.0003424800000000, -0.0010081800000000, -0.0008821400000000 ] - [ -0.0001078900000000, 0.0042669900000000, 0.0001308500000000 ] - [ 0.0000190700000000, 0.0023117200000000, -0.0005930900000000 ] - [ -0.0007833100000000, 0.0060771000000000, 0.0001455500000000 ] - [ 0.0002668000000000, 0.0046081200000000, 0.0000784700000000 ] - [ -0.0001925200000000, 0.0043662500000000, 0.0001024400000000 ] - [ -0.0002846600000000, 0.0040840900000000, -0.0003739200000000 ] - [ -0.0012770400000000, 0.0047618800000000, -0.0191456400000000 ] - [ 0.0000079400000000, -0.0025458200000000, -0.0038050200000000 ] - [ -0.0031404100000000, -0.0176338400000000, -0.0027630900000000 ] - [ 0.0043064500000000, -0.0176438100000000, -0.0039306200000000 ] - [ -0.0017350900000000, -0.0019215700000000, 0.0008380200000000 ] - [ 0.0016538700000000, -0.0030755100000000, 0.0004868700000000 ] - [ -0.0011828300000000, 0.0083315000000000, -0.0010350600000000 ] - [ 0.0005494500000000, 0.0023620600000000, 0.0004759400000000 ] - [ 0.0024360400000000, 0.0037567100000000, 0.0021781100000000 ] - [ -0.0018442000000000, 0.0020899100000000, 0.0019658800000000 ] - [ 0.0253918800000000, 0.0096289100000000, 0.0043874800000000 ] - [ -0.0125543500000000, 0.0101076100000000, -0.0057292600000000 ] - [ -0.0008343500000000, 0.0016695500000000, -0.0005539800000000 ] - [ 0.0001520000000000, 0.0007027500000000, -0.0001964700000000 ] - [ 0.0000830900000000, 0.0032035900000000, -0.0012811000000000 ] - [ -0.0000937000000000, 0.0023792400000000, -0.0010310900000000 ] - [ -0.0059821800000000, 0.0118009000000000, 0.0144141200000000 ] - [ 0.0000892600000000, 0.0000399700000000, 0.0017595600000000 ] - [ -0.0003094700000000, 0.0035702600000000, 0.0013799500000000 ] - [ 0.0000452000000000, 0.0033949800000000, 0.0016571500000000 ] - [ -0.0005029200000000, -0.0053605700000000, -0.0019809400000000 ] - [ -0.0004669700000000, -0.0021631400000000, -0.0011411400000000 ] - [ -0.0058008000000000, -0.0076577900000000, 0.0030714000000000 ] - [ -0.0019965900000000, -0.0082764500000000, 0.0034797500000000 ] - [ 0.0000634500000000, -0.0028366600000000, 0.0010218200000000 ] - [ -0.0000846200000000, -0.0015552200000000, 0.0005072200000000 ] - [ -0.0027006100000000, -0.0014186100000000, -0.0017898900000000 ] - [ 0.0008720000000000, 0.0007205100000000, -0.0004630100000000 ] - [ 0.0003541700000000, -0.0012208300000000, -0.0003128200000000 ] - [ -0.0003797500000000, -0.0008378400000000, -0.0000437600000000 ] - [ 0.0012751100000000, 0.0001409200000000, 0.0012748500000000 ] - [ -0.0008779100000000, 0.0003510200000000, 0.0008486400000000 ] - [ 0.0005269700000000, -0.0013089500000000, 0.0005697600000000 ] - [ 0.0006887500000000, -0.0012457300000000, 0.0005924700000000 ] - [ 0.0015571600000000, -0.0036111700000000, 0.0035133500000000 ] - [ -0.0057274200000000, -0.0032154400000000, 0.0067220000000000 ] - [ -0.0004883500000000, -0.0024000900000000, 0.0002549800000000 ] - [ -0.0004608300000000, -0.0017224000000000, 0.0000171700000000 ] - [ -0.0015487100000000, -0.0051147800000000, 0.0016616200000000 ] - [ 0.0018029100000000, -0.0013868700000000, 0.0010235500000000 ] - [ 0.0001645000000000, -0.0021098400000000, 0.0019992400000000 ] - [ 0.0003512000000000, -0.0008214600000000, 0.0004796300000000 ] - [ 0.0021145700000000, -0.0023824900000000, -0.0022371200000000 ] - [ -0.0011088700000000, -0.0021787000000000, -0.0009386700000000 ] - [ -0.0028469200000000, 0.0057360100000000, 0.0006428900000000 ] - [ 0.0003744200000000, 0.0016676800000000, 0.0010137300000000 ] - [ -0.0013370600000000, -0.0024191600000000, -0.0006727700000000 ] - [ -0.0006880300000000, -0.0018563100000000, -0.0007084000000000 ] - [ 0.0009023000000000, 0.0055485300000000, -0.0008249000000000 ] - [ -0.0002877200000000, 0.0016154500000000, -0.0011669600000000 ] - [ 0.0009519700000000, -0.0016097400000000, 0.0021390700000000 ] - [ -0.0006184000000000, -0.0003698300000000, 0.0016594700000000 ] - [ 0.0007422600000000, -0.0016367300000000, -0.0004850700000000 ] - [ -0.0000600700000000, -0.0010965800000000, -0.0000831800000000 ] - [ -0.0001772000000000, -0.0030111000000000, 0.0002149100000000 ] - [ -0.0006165900000000, -0.0024913900000000, 0.0004226400000000 ] - [ -0.0014547200000000, -0.0009184100000000, 0.0012202400000000 ] - [ 0.0002289500000000, -0.0006280700000000, 0.0004069300000000 ] - [ -0.0141605300000000, 0.0317171900000000, -0.0163886700000000 ] - [ -0.0041636700000000, 0.0040043700000000, -0.0003303800000000 ] - [ 0.0011789400000000, -0.0023463400000000, -0.0006213300000000 ] - [ 0.0004806700000000, -0.0014286400000000, -0.0005262500000000 ] - [ 0.0003403000000000, -0.0013144100000000, 0.0014039400000000 ] - [ 0.0003506500000000, -0.0009042000000000, 0.0011333300000000 ] - [ -0.0019482300000000, -0.0023182800000000, -0.0050299000000000 ] - [ 0.0001251500000000, -0.0002637300000000, -0.0003907500000000 ] - [ -0.0002448700000000, -0.0030237800000000, 0.0003853900000000 ] - [ -0.0000030500000000, -0.0026795200000000, 0.0002914600000000 ] - [ 0.0048568400000000, 0.0215563400000000, -0.0044257800000000 ] - [ 0.0045429500000000, 0.0041356100000000, 0.0001710600000000 ] - [ -0.0007146400000000, -0.0023987600000000, 0.0011397100000000 ] - [ -0.0008174200000000, -0.0014917400000000, 0.0005871500000000 ] - [ 0.0056688700000000, 0.0025636300000000, -0.0041132000000000 ] - [ 0.0009235700000000, 0.0019805700000000, -0.0005652000000000 ] - [ 0.0020085500000000, 0.0159955100000000, -0.0105853700000000 ] - [ 0.0062384500000000, 0.0023006100000000, 0.0029710800000000 ] - [ 0.0023642600000000, -0.0047950200000000, 0.0009418000000000 ] - [ -0.0013701500000000, -0.0016326900000000, 0.0012954700000000 ] - [ 0.0009324700000000, 0.0038016200000000, 0.0044376700000000 ] - [ 0.0007378300000000, 0.0016110600000000, 0.0012944000000000 ] - [ 0.0005556700000000, -0.0016927100000000, -0.0014522200000000 ] - [ 0.0003406400000000, -0.0015294000000000, -0.0013464300000000 ] - [ 0.0002792200000000, 0.0030931100000000, -0.0010626700000000 ] - [ 0.0001429600000000, 0.0018310300000000, 0.0009052300000000 ] - [ 0.0057656200000000, 0.0112461400000000, 0.0043949100000000 ] - [ 0.0029979400000000, 0.0043852600000000, 0.0013691900000000 ] - [ -0.0005156700000000, -0.0024357300000000, -0.0005315500000000 ] - [ -0.0015097200000000, -0.0033696800000000, -0.0006872900000000 ] - [ 0.0020739500000000, 0.0093246300000000, -0.0055156900000000 ] - [ 0.0002341000000000, 0.0048546300000000, -0.0052677800000000 ] - [ 0.0012330000000000, 0.0037956900000000, -0.0003008000000000 ] - [ -0.0072742300000000, 0.0077867100000000, -0.0045546200000000 ] - [ -0.0002774000000000, -0.0036378000000000, -0.0006089300000000 ] - [ 0.0010785500000000, -0.0017212700000000, 0.0004286700000000 ] - [ -0.0014026900000000, 0.0041666800000000, 0.0019175800000000 ] - [ -0.0005316400000000, 0.0025450200000000, 0.0004289100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028752300000000, 0.1334666000000000, -0.0502134300000000 ] - [ -0.0001064500000000, 0.0101644900000000, -0.0018094500000000 ] - [ 0.0008974400000000, -0.0047120200000000, 0.0023962800000000 ] - [ -0.0007323100000000, -0.0050971500000000, 0.0031487100000000 ] - [ 0.0015814500000000, -0.0041446600000000, 0.0011675300000000 ] - [ -0.0014307900000000, -0.0041411900000000, 0.0017442500000000 ] - [ 0.0166179000000000, -0.0099408000000000, -0.0022602600000000 ] - [ -0.0160553400000000, -0.0067783300000000, -0.0010443500000000 ] - [ 0.0002469100000000, -0.0148362700000000, 0.0181310000000000 ] - [ -0.0002222600000000, 0.0010204300000000, 0.0014644800000000 ] - [ -0.0000041700000000, -0.0042770300000000, -0.0007135800000000 ] - [ -0.0001288500000000, -0.0023192200000000, 0.0000170800000000 ] - [ 0.0006384700000000, -0.0051619800000000, -0.0004071500000000 ] - [ -0.0004076100000000, -0.0036990200000000, -0.0003360400000000 ] - [ 0.0000499700000000, -0.0034575000000000, 0.0001505200000000 ] - [ 0.0001450800000000, -0.0031746800000000, 0.0006265900000000 ] - [ 0.0010869800000000, -0.0057053700000000, 0.0187280000000000 ] - [ -0.0001287000000000, 0.0016018000000000, 0.0035379200000000 ] - [ 0.0032454300000000, 0.0185279400000000, 0.0024888900000000 ] - [ -0.0040957700000000, 0.0185175500000000, 0.0036388300000000 ] - [ 0.0015893400000000, 0.0009860900000000, -0.0005696400000000 ] - [ -0.0017982500000000, 0.0021482800000000, -0.0002292700000000 ] - [ 0.0013195000000000, -0.0092642100000000, 0.0012901200000000 ] - [ -0.0004052100000000, -0.0032621500000000, -0.0002228300000000 ] - [ -0.0025437600000000, -0.0043913000000000, -0.0025333800000000 ] - [ 0.0017504200000000, -0.0027237600000000, -0.0023272500000000 ] - [ -0.0250338600000000, -0.0101479700000000, -0.0040243900000000 ] - [ 0.0125347100000000, -0.0107057800000000, 0.0061191600000000 ] - [ 0.0007305600000000, -0.0023006000000000, 0.0009043400000000 ] - [ -0.0002539300000000, -0.0013324300000000, 0.0005488000000000 ] - [ 0.0000169900000000, -0.0025696300000000, 0.0009309100000000 ] - [ 0.0001981500000000, -0.0017440100000000, 0.0006785800000000 ] - [ 0.0061185100000000, -0.0124189800000000, -0.0146601500000000 ] - [ 0.0000197700000000, -0.0006776400000000, -0.0021054200000000 ] - [ 0.0004152100000000, -0.0029305700000000, -0.0010233200000000 ] - [ 0.0000546100000000, -0.0027582700000000, -0.0013011400000000 ] - [ 0.0003923100000000, 0.0060042100000000, 0.0023532900000000 ] - [ 0.0003688200000000, 0.0028037400000000, 0.0015115700000000 ] - [ 0.0058492400000000, 0.0083845300000000, -0.0033579500000000 ] - [ 0.0018690100000000, 0.0088166700000000, -0.0038063600000000 ] - [ -0.0001613600000000, 0.0028243800000000, -0.0010300900000000 ] - [ -0.0000163600000000, 0.0015562200000000, -0.0005243400000000 ] - [ 0.0027643300000000, 0.0011035100000000, 0.0016979500000000 ] - [ -0.0007756500000000, -0.0007293400000000, 0.0004882800000000 ] - [ -0.0004527500000000, 0.0012226500000000, 0.0003314500000000 ] - [ 0.0002798200000000, 0.0008401800000000, 0.0000619900000000 ] - [ -0.0011775100000000, -0.0001451800000000, -0.0012978800000000 ] - [ 0.0009741300000000, -0.0003571300000000, -0.0008661700000000 ] - [ -0.0003660700000000, 0.0017896400000000, 0.0002805400000000 ] - [ -0.0005312100000000, 0.0017289400000000, 0.0002586900000000 ] - [ -0.0015284200000000, 0.0030553600000000, -0.0038518700000000 ] - [ 0.0057098900000000, 0.0026744800000000, -0.0070177000000000 ] - [ 0.0005393500000000, 0.0017599400000000, -0.0006735000000000 ] - [ 0.0005104100000000, 0.0010828800000000, -0.0004369500000000 ] - [ 0.0021527000000000, 0.0053278600000000, -0.0015070700000000 ] - [ -0.0012252700000000, 0.0016029500000000, -0.0008589600000000 ] - [ -0.0001451100000000, 0.0015601900000000, -0.0023290200000000 ] - [ -0.0003336100000000, 0.0002732100000000, -0.0008113700000000 ] - [ -0.0021074600000000, 0.0018409100000000, 0.0025782200000000 ] - [ 0.0011326200000000, 0.0016310800000000, 0.0012681200000000 ] - [ 0.0028774000000000, -0.0050496800000000, -0.0002125700000000 ] - [ -0.0003796200000000, -0.0009956100000000, -0.0006263900000000 ] - [ 0.0012872900000000, 0.0030564700000000, 0.0002507000000000 ] - [ 0.0006335700000000, 0.0024907700000000, 0.0002863200000000 ] - [ -0.0008646000000000, -0.0058473100000000, 0.0015855800000000 ] - [ 0.0002276100000000, -0.0022464800000000, 0.0015852100000000 ] - [ -0.0015286300000000, 0.0018320100000000, -0.0019617300000000 ] - [ 0.0000280000000000, 0.0005977900000000, -0.0014869400000000 ] - [ -0.0009004000000000, 0.0011533400000000, -0.0003672200000000 ] - [ -0.0000979700000000, 0.0006112700000000, -0.0007700600000000 ] - [ -0.0004077200000000, 0.0027940000000000, -0.0000430900000000 ] - [ 0.0000285800000000, 0.0022730400000000, -0.0002519200000000 ] - [ 0.0008701600000000, 0.0011467300000000, -0.0013811600000000 ] - [ -0.0008141300000000, 0.0008610200000000, -0.0005740000000000 ] - [ 0.0154902900000000, -0.0324241500000000, 0.0170279900000000 ] - [ 0.0047383400000000, -0.0042290800000000, 0.0001571600000000 ] - [ -0.0010215300000000, 0.0028267800000000, -0.0002305400000000 ] - [ -0.0003198600000000, 0.0019089300000000, -0.0003251300000000 ] - [ -0.0003592200000000, 0.0018609600000000, -0.0010736600000000 ] - [ -0.0003701300000000, 0.0014498300000000, -0.0008027000000000 ] - [ 0.0019246000000000, 0.0018116400000000, 0.0053882300000000 ] - [ -0.0001459700000000, -0.0002779000000000, 0.0007207100000000 ] - [ -0.0003399500000000, 0.0028057000000000, -0.0005462200000000 ] - [ -0.0005818900000000, 0.0024636900000000, -0.0004567900000000 ] - [ -0.0048956800000000, -0.0224033800000000, 0.0052230900000000 ] - [ -0.0039659500000000, -0.0043521900000000, -0.0000090700000000 ] - [ 0.0006651000000000, 0.0030395000000000, -0.0007220200000000 ] - [ 0.0007657500000000, 0.0021275800000000, -0.0001667500000000 ] - [ -0.0055074000000000, -0.0030392700000000, 0.0049566100000000 ] - [ -0.0007625500000000, -0.0024587500000000, 0.0014094900000000 ] - [ -0.0011630300000000, -0.0154655800000000, 0.0092540600000000 ] - [ -0.0060737500000000, -0.0027715600000000, -0.0038184200000000 ] - [ -0.0017888500000000, 0.0050318700000000, -0.0011196400000000 ] - [ 0.0019568600000000, 0.0018447800000000, -0.0014643200000000 ] - [ -0.0009137300000000, -0.0032644900000000, -0.0047817500000000 ] - [ -0.0007243500000000, -0.0010672900000000, -0.0016371700000000 ] - [ -0.0005713000000000, 0.0022368500000000, 0.0011185600000000 ] - [ -0.0003610100000000, 0.0020725400000000, 0.0010152900000000 ] - [ -0.0004307700000000, -0.0026077700000000, 0.0002018000000000 ] - [ -0.0003014400000000, -0.0013473200000000, -0.0017646300000000 ] - [ -0.0060034600000000, -0.0107250300000000, -0.0036483800000000 ] - [ -0.0031343200000000, -0.0038766200000000, -0.0004990800000000 ] - [ 0.0005660200000000, 0.0017978200000000, 0.0009546400000000 ] - [ 0.0015620700000000, 0.0027324300000000, 0.0011086500000000 ] - [ -0.0018916000000000, -0.0088460500000000, 0.0057389300000000 ] - [ -0.0002493100000000, -0.0043404000000000, 0.0056338400000000 ] - [ -0.0016151900000000, -0.0042002600000000, -0.0000479100000000 ] - [ 0.0071792300000000, -0.0083701000000000, 0.0041051600000000 ] - [ 0.0001240200000000, 0.0031512900000000, 0.0014642800000000 ] - [ -0.0012415400000000, 0.0012384900000000, 0.0004227800000000 ] - [ 0.0014634000000000, -0.0035218800000000, -0.0023555400000000 ] - [ 0.0005817900000000, -0.0019015000000000, -0.0008561100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0139313800000000, 0.0504634900000000, -0.1415143600000000 ] - [ 0.0000565400000000, 0.0023919100000000, -0.0070247000000000 ] - [ 0.0001530000000000, -0.0015858300000000, 0.0005991600000000 ] - [ -0.0004555700000000, -0.0022376600000000, 0.0013718900000000 ] - [ 0.0010458100000000, -0.0023208600000000, 0.0000942100000000 ] - [ -0.0006507300000000, -0.0017444400000000, 0.0000940600000000 ] - [ 0.0044744800000000, -0.0036093800000000, -0.0131807700000000 ] - [ -0.0027892700000000, -0.0028739000000000, -0.0120993800000000 ] - [ -0.0017657300000000, -0.0198681600000000, 0.0114168700000000 ] - [ 0.0004471400000000, -0.0011888700000000, 0.0008170100000000 ] - [ -0.0001213500000000, 0.0010055100000000, 0.0034450900000000 ] - [ -0.0002035700000000, -0.0005815400000000, 0.0011686500000000 ] - [ -0.0000304100000000, 0.0001782300000000, 0.0007223800000000 ] - [ 0.0000914900000000, 0.0002452400000000, 0.0001392200000000 ] - [ -0.0003892600000000, 0.0004314300000000, 0.0012589800000000 ] - [ 0.0000004400000000, -0.0000457800000000, 0.0010752800000000 ] - [ -0.0014639200000000, -0.0192681900000000, 0.0161988400000000 ] - [ 0.0007665400000000, -0.0041152600000000, 0.0006592100000000 ] - [ 0.0193590600000000, 0.0042166800000000, 0.0100071000000000 ] - [ -0.0186438900000000, 0.0030809300000000, 0.0100157300000000 ] - [ -0.0022902700000000, -0.0011446000000000, 0.0082635300000000 ] - [ 0.0012915900000000, -0.0008032800000000, 0.0062718200000000 ] - [ -0.0010121700000000, 0.0007082600000000, -0.0046560800000000 ] - [ 0.0002229300000000, -0.0008042000000000, -0.0014671900000000 ] - [ 0.0016062200000000, 0.0016037800000000, 0.0006994400000000 ] - [ -0.0001739700000000, 0.0004496400000000, 0.0004850200000000 ] - [ -0.0104091800000000, -0.0006851700000000, -0.0094916500000000 ] - [ -0.0005683800000000, 0.0019703000000000, -0.0066870100000000 ] - [ 0.0003440300000000, -0.0012877800000000, 0.0022041700000000 ] - [ 0.0000084900000000, -0.0008974700000000, 0.0012431900000000 ] - [ 0.0002118900000000, 0.0006333100000000, -0.0002902800000000 ] - [ 0.0001598200000000, 0.0002417600000000, -0.0003486900000000 ] - [ -0.0090968600000000, 0.0149198400000000, 0.0135243300000000 ] - [ 0.0005679900000000, 0.0004283100000000, -0.0007482600000000 ] - [ -0.0001542200000000, -0.0004598000000000, -0.0006535100000000 ] - [ 0.0000200800000000, -0.0000546800000000, -0.0007089900000000 ] - [ -0.0006392500000000, 0.0042061000000000, 0.0095184300000000 ] - [ -0.0002994800000000, 0.0021219800000000, 0.0042284000000000 ] - [ 0.0259513300000000, 0.0061176300000000, 0.0123962500000000 ] - [ -0.0089616500000000, -0.0037568000000000, 0.0092268300000000 ] - [ -0.0001932300000000, 0.0014411900000000, -0.0001699300000000 ] - [ 0.0002058000000000, 0.0004171800000000, 0.0001260700000000 ] - [ -0.0003684800000000, -0.0036560600000000, 0.0052433200000000 ] - [ -0.0004362200000000, -0.0011959400000000, 0.0014775500000000 ] - [ 0.0004509700000000, -0.0005654500000000, -0.0010697000000000 ] - [ -0.0003480100000000, -0.0001364600000000, -0.0003882700000000 ] - [ -0.0009354900000000, 0.0008776000000000, -0.0013715800000000 ] - [ 0.0008802400000000, 0.0004656400000000, -0.0008711700000000 ] - [ 0.0001351700000000, 0.0003198200000000, 0.0003416400000000 ] - [ -0.0000688600000000, 0.0005287300000000, 0.0003900500000000 ] - [ -0.0028583300000000, 0.0011897000000000, 0.0035405700000000 ] - [ 0.0020398500000000, 0.0016342200000000, -0.0013363500000000 ] - [ 0.0003784000000000, 0.0005021000000000, -0.0010976100000000 ] - [ 0.0002009700000000, 0.0001477300000000, -0.0006380500000000 ] - [ 0.0011720200000000, 0.0038021500000000, 0.0031529300000000 ] - [ -0.0004658400000000, 0.0009657900000000, 0.0004231900000000 ] - [ -0.0001771500000000, 0.0013814700000000, -0.0023453300000000 ] - [ -0.0004012900000000, 0.0001876400000000, -0.0008937100000000 ] - [ 0.0010846500000000, -0.0004591600000000, 0.0008777700000000 ] - [ -0.0008059500000000, -0.0003150000000000, 0.0013447700000000 ] - [ 0.0008243900000000, 0.0031097100000000, -0.0040715700000000 ] - [ -0.0065129400000000, 0.0074785300000000, -0.0048782200000000 ] - [ 0.0001727600000000, 0.0008919000000000, 0.0003193100000000 ] - [ 0.0001444400000000, 0.0010266800000000, 0.0002736200000000 ] - [ 0.0051070600000000, -0.0076790800000000, 0.0086723800000000 ] - [ 0.0013490500000000, -0.0010180600000000, 0.0009948900000000 ] - [ -0.0015051800000000, 0.0021260400000000, -0.0028598700000000 ] - [ -0.0004520400000000, 0.0007378400000000, -0.0014495700000000 ] - [ -0.0002133700000000, 0.0002591200000000, -0.0008685000000000 ] - [ -0.0000123800000000, 0.0000366200000000, -0.0008725400000000 ] - [ -0.0001719400000000, 0.0001450100000000, -0.0007786200000000 ] - [ -0.0002004700000000, 0.0004176100000000, -0.0004625700000000 ] - [ 0.0009496200000000, 0.0024381500000000, -0.0039106800000000 ] - [ 0.0001056200000000, 0.0015907400000000, -0.0017078000000000 ] - [ 0.0133247500000000, -0.0140622400000000, 0.0285754700000000 ] - [ 0.0043104900000000, 0.0003693600000000, 0.0031148100000000 ] - [ 0.0001727300000000, 0.0005330600000000, -0.0001400700000000 ] - [ 0.0000693700000000, 0.0003751800000000, -0.0001241500000000 ] - [ -0.0001274900000000, 0.0002030600000000, -0.0001191600000000 ] - [ 0.0000599800000000, 0.0003371200000000, -0.0000009000000000 ] - [ -0.0025772500000000, -0.0042391800000000, -0.0077590100000000 ] - [ -0.0001817400000000, -0.0006598500000000, -0.0006632500000000 ] - [ -0.0005519700000000, 0.0002779300000000, -0.0009569400000000 ] - [ -0.0002200200000000, 0.0002031000000000, -0.0006518100000000 ] - [ -0.0096139300000000, -0.0118003500000000, 0.0230137400000000 ] - [ -0.0045739300000000, -0.0002633300000000, 0.0028999900000000 ] - [ 0.0000583100000000, 0.0004696800000000, 0.0005553300000000 ] - [ 0.0000779100000000, 0.0004892500000000, 0.0003601400000000 ] - [ 0.0062874800000000, 0.0004311700000000, -0.0047164800000000 ] - [ -0.0017857100000000, -0.0022408400000000, 0.0000357100000000 ] - [ 0.0063838000000000, 0.0028544200000000, 0.0101450300000000 ] - [ 0.0022702700000000, 0.0005657800000000, 0.0027285600000000 ] - [ -0.0004754600000000, 0.0045150600000000, 0.0021966100000000 ] - [ 0.0005728800000000, 0.0006337900000000, 0.0003300900000000 ] - [ -0.0015547600000000, -0.0002345000000000, -0.0077797300000000 ] - [ -0.0015893700000000, -0.0000108000000000, -0.0025765800000000 ] - [ -0.0003064800000000, 0.0005516500000000, 0.0003729500000000 ] - [ -0.0000908500000000, 0.0006999100000000, 0.0002580600000000 ] - [ 0.0001676200000000, 0.0003272400000000, -0.0048665700000000 ] - [ 0.0016541000000000, 0.0002543800000000, -0.0041856600000000 ] - [ 0.0019348000000000, -0.0080266600000000, 0.0193742100000000 ] - [ 0.0044521200000000, 0.0027137600000000, 0.0016129400000000 ] - [ -0.0000983800000000, -0.0004800100000000, -0.0000492300000000 ] - [ -0.0004789500000000, -0.0010131800000000, -0.0000515800000000 ] - [ 0.0074801500000000, -0.0033713500000000, -0.0008793800000000 ] - [ -0.0066449400000000, -0.0036944500000000, 0.0077102100000000 ] - [ -0.0038843600000000, -0.0010325900000000, 0.0120353300000000 ] - [ 0.0011509400000000, -0.0057689400000000, 0.0047221000000000 ] - [ -0.0002813200000000, -0.0017354400000000, 0.0002149700000000 ] - [ 0.0001986600000000, -0.0005272000000000, 0.0004798700000000 ] - [ 0.0020890400000000, -0.0022617400000000, -0.0063781900000000 ] - [ 0.0005193000000000, -0.0005566400000000, -0.0022480500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0146326500000000, -0.0489338900000000, 0.1417027800000000 ] - [ 0.0000733700000000, -0.0014560300000000, 0.0072980000000000 ] - [ -0.0002693300000000, 0.0015893000000000, -0.0000004900000000 ] - [ 0.0003492800000000, 0.0022389100000000, -0.0007772800000000 ] - [ -0.0009072600000000, 0.0014157700000000, -0.0003525200000000 ] - [ 0.0007933600000000, 0.0008349900000000, -0.0003526100000000 ] - [ -0.0044271100000000, 0.0036677700000000, 0.0126436800000000 ] - [ 0.0029422800000000, 0.0028888100000000, 0.0115427000000000 ] - [ 0.0019003100000000, 0.0196993000000000, -0.0108183900000000 ] - [ -0.0003405400000000, 0.0011863300000000, -0.0002458800000000 ] - [ 0.0000110300000000, -0.0009907000000000, -0.0040245200000000 ] - [ 0.0000878200000000, 0.0005869400000000, -0.0017476500000000 ] - [ -0.0001113600000000, 0.0007318400000000, -0.0009726700000000 ] - [ -0.0002312700000000, 0.0006604300000000, -0.0003897800000000 ] - [ 0.0002474400000000, 0.0004804100000000, -0.0010019700000000 ] - [ -0.0001410400000000, 0.0009555900000000, -0.0008205700000000 ] - [ 0.0013736100000000, 0.0186055000000000, -0.0165494000000000 ] - [ -0.0009238700000000, 0.0032268800000000, -0.0008826200000000 ] - [ -0.0191126100000000, -0.0033518500000000, -0.0102763100000000 ] - [ 0.0186162900000000, -0.0021697000000000, -0.0102674500000000 ] - [ 0.0021322900000000, 0.0002621000000000, -0.0080240700000000 ] - [ -0.0014153900000000, -0.0000881900000000, -0.0060251200000000 ] - [ 0.0011549700000000, -0.0016182000000000, 0.0049113600000000 ] - [ -0.0000818700000000, -0.0001064100000000, 0.0017226800000000 ] - [ -0.0017016600000000, -0.0022358700000000, -0.0010505600000000 ] - [ 0.0000674700000000, -0.0010864100000000, -0.0008367100000000 ] - [ 0.0104479600000000, -0.0000073800000000, 0.0098257200000000 ] - [ 0.0006974400000000, -0.0026416100000000, 0.0071906600000000 ] - [ -0.0004477500000000, 0.0006511700000000, -0.0018501900000000 ] - [ -0.0001136600000000, 0.0002594400000000, -0.0008889600000000 ] - [ -0.0001076300000000, 0.0000047000000000, -0.0000663800000000 ] - [ -0.0000562900000000, 0.0003945700000000, -0.0000074400000000 ] - [ 0.0092162400000000, -0.0154681300000000, -0.0138158400000000 ] - [ -0.0004600700000000, -0.0010696500000000, 0.0003770100000000 ] - [ 0.0002581000000000, 0.0010933600000000, 0.0010052700000000 ] - [ 0.0000827600000000, 0.0006864800000000, 0.0010609000000000 ] - [ 0.0005718800000000, -0.0035769900000000, -0.0091653500000000 ] - [ 0.0001825200000000, -0.0014921200000000, -0.0038827600000000 ] - [ -0.0263703800000000, -0.0055509600000000, -0.0129415200000000 ] - [ 0.0089539700000000, 0.0043515100000000, -0.0096138500000000 ] - [ 0.0000929300000000, -0.0014412700000000, 0.0001433200000000 ] - [ -0.0003069900000000, -0.0004126800000000, -0.0001537400000000 ] - [ 0.0004325900000000, 0.0035791900000000, -0.0053176800000000 ] - [ 0.0005406100000000, 0.0012018500000000, -0.0014609100000000 ] - [ -0.0005471900000000, 0.0005589500000000, 0.0010892700000000 ] - [ 0.0002472700000000, 0.0001346900000000, 0.0004101500000000 ] - [ 0.0010315300000000, -0.0008772200000000, 0.0013640900000000 ] - [ -0.0007786100000000, -0.0004621100000000, 0.0008538900000000 ] - [ 0.0000293500000000, 0.0001584600000000, 0.0005085400000000 ] - [ 0.0002342700000000, -0.0000503800000000, 0.0004600200000000 ] - [ 0.0028767800000000, -0.0017578200000000, -0.0039425100000000 ] - [ -0.0020296100000000, -0.0021645200000000, 0.0009795200000000 ] - [ -0.0003250900000000, -0.0011382200000000, 0.0006755000000000 ] - [ -0.0001471600000000, -0.0007803900000000, 0.0002149500000000 ] - [ -0.0005864500000000, -0.0035873900000000, -0.0029880700000000 ] - [ 0.0010557700000000, -0.0007504700000000, -0.0002545100000000 ] - [ 0.0001963200000000, -0.0019277700000000, 0.0020158500000000 ] - [ 0.0004225200000000, -0.0007326400000000, 0.0005616800000000 ] - [ -0.0010642400000000, -0.0000885300000000, -0.0005469100000000 ] - [ 0.0008234000000000, -0.0002315700000000, -0.0010118900000000 ] - [ -0.0008127900000000, -0.0024710800000000, 0.0045043600000000 ] - [ 0.0065847200000000, -0.0068875900000000, 0.0053091400000000 ] - [ -0.0002263100000000, -0.0002563900000000, -0.0007404600000000 ] - [ -0.0001970900000000, -0.0003911700000000, -0.0006955700000000 ] - [ -0.0049053500000000, 0.0075382900000000, -0.0075021500000000 ] - [ -0.0014098900000000, 0.0003844100000000, -0.0005594900000000 ] - [ 0.0009287600000000, -0.0019277700000000, 0.0030266500000000 ] - [ -0.0001373800000000, -0.0005258100000000, 0.0016089900000000 ] - [ 0.0000481900000000, -0.0007384800000000, 0.0000196200000000 ] - [ -0.0001525200000000, -0.0005156200000000, 0.0000222900000000 ] - [ -0.0004125200000000, -0.0003666400000000, 0.0009417800000000 ] - [ -0.0003850700000000, -0.0006365300000000, 0.0006266500000000 ] - [ -0.0015507400000000, -0.0022406100000000, 0.0037537700000000 ] - [ -0.0006834000000000, -0.0013869900000000, 0.0015354900000000 ] - [ -0.0118674600000000, 0.0129092200000000, -0.0279473000000000 ] - [ -0.0037230000000000, -0.0005826000000000, -0.0032802300000000 ] - [ -0.0000087600000000, -0.0000533200000000, -0.0007097500000000 ] - [ 0.0000949900000000, 0.0001056200000000, -0.0007247200000000 ] - [ 0.0001071900000000, 0.0003407400000000, 0.0004540800000000 ] - [ -0.0000794300000000, 0.0002076300000000, 0.0003353500000000 ] - [ 0.0025449400000000, 0.0037150800000000, 0.0081186200000000 ] - [ 0.0001676000000000, 0.0001133800000000, 0.0010063500000000 ] - [ -0.0000346000000000, -0.0004991400000000, 0.0007867700000000 ] - [ -0.0003649600000000, -0.0004229800000000, 0.0004813100000000 ] - [ 0.0095978800000000, 0.0109419200000000, -0.0224502200000000 ] - [ 0.0051712800000000, 0.0000529000000000, -0.0027314900000000 ] - [ -0.0001126200000000, 0.0001629800000000, -0.0001319900000000 ] - [ -0.0001314600000000, 0.0001448300000000, 0.0000627000000000 ] - [ -0.0061032900000000, -0.0009159600000000, 0.0055735600000000 ] - [ 0.0019422000000000, 0.0017614100000000, 0.0008259500000000 ] - [ -0.0061662300000000, -0.0032630600000000, -0.0110672400000000 ] - [ -0.0021459900000000, -0.0010695000000000, -0.0036200200000000 ] - [ 0.0010562900000000, -0.0043082800000000, -0.0023634800000000 ] - [ 0.0000122800000000, -0.0004153700000000, -0.0004948600000000 ] - [ 0.0015753500000000, 0.0007983000000000, 0.0074183600000000 ] - [ 0.0016138400000000, 0.0005593600000000, 0.0022524000000000 ] - [ 0.0002861700000000, -0.0000045400000000, -0.0007073500000000 ] - [ 0.0000695700000000, -0.0001527300000000, -0.0005911900000000 ] - [ -0.0003586900000000, 0.0001430500000000, 0.0040264300000000 ] - [ -0.0018082900000000, 0.0002295600000000, 0.0033421000000000 ] - [ -0.0029049700000000, 0.0088230900000000, -0.0199379500000000 ] - [ -0.0046264100000000, -0.0022411500000000, -0.0007718000000000 ] - [ 0.0001526300000000, -0.0001550600000000, 0.0004704000000000 ] - [ 0.0005301700000000, 0.0003748400000000, 0.0004716700000000 ] - [ -0.0073393000000000, 0.0039063300000000, 0.0010573200000000 ] - [ 0.0067222400000000, 0.0042775100000000, -0.0074439000000000 ] - [ 0.0036103500000000, 0.0005648300000000, -0.0124777400000000 ] - [ -0.0011850400000000, 0.0051317800000000, -0.0051282800000000 ] - [ 0.0001151100000000, 0.0012507500000000, 0.0006339300000000 ] - [ -0.0003632900000000, 0.0000492000000000, 0.0003688000000000 ] - [ -0.0020424200000000, 0.0028938600000000, 0.0059831000000000 ] - [ -0.0004644900000000, 0.0011893100000000, 0.0018267600000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001733500000000, -0.0004978300000000, 0.0003376900000000 ] - [ 0.0005551200000000, 0.0011375200000000, -0.0002789100000000 ] - [ -0.1615053100000000, 0.0000000000000000, 0.0225047100000000 ] - [ 0.0134266600000000, 0.0000000000000000, -0.0015651000000000 ] - [ 0.0010816200000000, -0.0005262700000000, 0.0000212200000000 ] - [ -0.0010361800000000, -0.0004076100000000, -0.0000689500000000 ] - [ 0.0003620700000000, 0.0000000000000000, -0.0004222700000000 ] - [ -0.0002997500000000, 0.0000000000000000, -0.0004848700000000 ] - [ 0.0000383100000000, 0.0000000000000000, -0.0000501200000000 ] - [ 0.0001060800000000, 0.0000000000000000, 0.0004732400000000 ] - [ 0.0173574800000000, 0.0000000000000000, -0.0182662100000000 ] - [ 0.0172034700000000, 0.0000000000000000, 0.0181560900000000 ] - [ 0.0101063800000000, 0.0170080300000000, 0.0043270900000000 ] - [ 0.0110570900000000, -0.0155308700000000, -0.0029795800000000 ] - [ -0.0171313000000000, 0.0006543600000000, 0.0019669700000000 ] - [ 0.0045964800000000, 0.0001846300000000, -0.0002782500000000 ] - [ 0.0101063800000000, -0.0170080300000000, 0.0043270900000000 ] - [ 0.0110570900000000, 0.0155308700000000, -0.0029795800000000 ] - [ 0.0010816200000000, 0.0005262700000000, 0.0000212200000000 ] - [ -0.0010361800000000, 0.0004076100000000, -0.0000689500000000 ] - [ -0.0171313000000000, -0.0006543600000000, 0.0019669700000000 ] - [ 0.0045964800000000, -0.0001846300000000, -0.0002782500000000 ] - [ -0.0001733500000000, 0.0004978300000000, 0.0003376900000000 ] - [ 0.0005551200000000, -0.0011375200000000, -0.0002789100000000 ] - [ -0.0022037300000000, 0.0000644500000000, -0.0014004500000000 ] - [ 0.0018519500000000, -0.0001779100000000, 0.0007149900000000 ] - [ 0.0047413500000000, -0.0008976100000000, -0.0002720300000000 ] - [ -0.0076457900000000, 0.0005139800000000, -0.0001265900000000 ] - [ 0.0008673500000000, 0.0002582900000000, -0.0006915500000000 ] - [ -0.0009795000000000, -0.0015992700000000, 0.0010876300000000 ] - [ -0.0011053700000000, 0.0013619200000000, -0.0010688000000000 ] - [ 0.0011486700000000, -0.0013926900000000, 0.0004211500000000 ] - [ -0.0011053700000000, -0.0013619200000000, -0.0010688000000000 ] - [ 0.0011486700000000, 0.0013926900000000, 0.0004211500000000 ] - [ 0.0047413500000000, 0.0008976100000000, -0.0002720300000000 ] - [ -0.0076457900000000, -0.0005139800000000, -0.0001265900000000 ] - [ 0.0008673500000000, -0.0002582900000000, -0.0006915500000000 ] - [ -0.0009795000000000, 0.0015992700000000, 0.0010876300000000 ] - [ -0.0022037300000000, -0.0000644500000000, -0.0014004500000000 ] - [ 0.0018519500000000, 0.0001779100000000, 0.0007149900000000 ] - [ -0.0077776500000000, 0.0000000000000000, -0.0028699000000000 ] - [ 0.0155552200000000, 0.0000000000000000, -0.0092951600000000 ] - [ 0.0001501400000000, 0.0000000000000000, 0.0000856200000000 ] - [ -0.0000129800000000, 0.0000000000000000, 0.0000326700000000 ] - [ 0.0028747200000000, 0.0000000000000000, 0.0009324900000000 ] - [ -0.0022424400000000, 0.0000000000000000, -0.0004515000000000 ] - [ -0.0001515200000000, 0.0000000000000000, 0.0001028500000000 ] - [ 0.0002345600000000, 0.0000000000000000, -0.0000908300000000 ] - [ 0.0015041000000000, -0.0004562800000000, -0.0007437900000000 ] - [ -0.0011455400000000, 0.0010525100000000, 0.0009540800000000 ] - [ 0.0112810500000000, -0.0031671900000000, -0.0018704000000000 ] - [ -0.0043673100000000, -0.0007936800000000, 0.0020732300000000 ] - [ 0.0001181400000000, -0.0027303500000000, 0.0012906900000000 ] - [ -0.0004742900000000, 0.0015629200000000, -0.0012926500000000 ] - [ 0.0006165400000000, 0.0000234000000000, 0.0001002600000000 ] - [ -0.0000263300000000, 0.0001009300000000, 0.0001583700000000 ] - [ 0.0002466600000000, -0.0006663100000000, 0.0004732100000000 ] - [ -0.0001204600000000, 0.0000793800000000, -0.0006502400000000 ] - [ -0.0003901000000000, -0.0003385900000000, 0.0003215900000000 ] - [ 0.0002371600000000, -0.0000869000000000, 0.0003633500000000 ] - [ -0.0019692500000000, 0.0018004700000000, 0.0002083200000000 ] - [ 0.0027091800000000, -0.0021834100000000, 0.0008223400000000 ] - [ 0.0006157200000000, 0.0000752200000000, -0.0012120200000000 ] - [ -0.0011189300000000, -0.0003343400000000, -0.0002657100000000 ] - [ -0.0001948300000000, 0.0002507100000000, 0.0004092500000000 ] - [ 0.0004591800000000, -0.0011816800000000, -0.0002145800000000 ] - [ 0.0272443900000000, -0.0085342100000000, -0.0121949800000000 ] - [ -0.0071010100000000, -0.0012617200000000, -0.0006627000000000 ] - [ -0.0009943800000000, 0.0002016200000000, -0.0000701500000000 ] - [ 0.0009623100000000, -0.0010126100000000, -0.0007338000000000 ] - [ 0.0272443900000000, 0.0085342100000000, -0.0121949800000000 ] - [ -0.0071010100000000, 0.0012617200000000, -0.0006627000000000 ] - [ -0.0064605800000000, 0.0015850500000000, 0.0011685500000000 ] - [ 0.0233886300000000, 0.0056016500000000, 0.0049592000000000 ] - [ 0.0000500900000000, 0.0000019200000000, -0.0000654700000000 ] - [ 0.0005199000000000, -0.0002058400000000, -0.0000233000000000 ] - [ -0.0025609100000000, -0.0003079500000000, -0.0027248000000000 ] - [ 0.0042387100000000, 0.0009772200000000, 0.0023410200000000 ] - [ -0.0003799700000000, -0.0008286700000000, 0.0021617500000000 ] - [ -0.0000443200000000, 0.0017225500000000, -0.0024084700000000 ] - [ -0.0003799700000000, 0.0008286700000000, 0.0021617500000000 ] - [ -0.0000443200000000, -0.0017225500000000, -0.0024084700000000 ] - [ -0.0064605800000000, -0.0015850500000000, 0.0011685500000000 ] - [ 0.0233886300000000, -0.0056016500000000, 0.0049592000000000 ] - [ 0.0006165400000000, -0.0000234000000000, 0.0001002600000000 ] - [ -0.0000263300000000, -0.0001009300000000, 0.0001583700000000 ] - [ -0.0001948300000000, -0.0002507100000000, 0.0004092500000000 ] - [ 0.0004591800000000, 0.0011816800000000, -0.0002145800000000 ] - [ 0.0015041000000000, 0.0004562800000000, -0.0007437900000000 ] - [ -0.0011455400000000, -0.0010525100000000, 0.0009540800000000 ] - [ -0.0025609100000000, 0.0003079500000000, -0.0027248000000000 ] - [ 0.0042387100000000, -0.0009772200000000, 0.0023410200000000 ] - [ 0.0000500900000000, -0.0000019200000000, -0.0000654700000000 ] - [ 0.0005199000000000, 0.0002058400000000, -0.0000233000000000 ] - [ 0.0002466600000000, 0.0006663100000000, 0.0004732100000000 ] - [ -0.0001204600000000, -0.0000793800000000, -0.0006502400000000 ] - [ 0.0112810500000000, 0.0031671900000000, -0.0018704000000000 ] - [ -0.0043673100000000, 0.0007936800000000, 0.0020732300000000 ] - [ -0.0009943800000000, -0.0002016200000000, -0.0000701500000000 ] - [ 0.0009623100000000, 0.0010126100000000, -0.0007338000000000 ] - [ 0.0017935400000000, 0.0021704200000000, 0.0006854600000000 ] - [ -0.0020274200000000, -0.0018813600000000, 0.0005348800000000 ] - [ -0.0019692500000000, -0.0018004700000000, 0.0002083200000000 ] - [ 0.0027091800000000, 0.0021834100000000, 0.0008223400000000 ] - [ -0.0003901000000000, 0.0003385900000000, 0.0003215900000000 ] - [ 0.0002371600000000, 0.0000869000000000, 0.0003633500000000 ] - [ 0.0006157200000000, -0.0000752200000000, -0.0012120200000000 ] - [ -0.0011189300000000, 0.0003343400000000, -0.0002657100000000 ] - [ 0.0017935400000000, -0.0021704200000000, 0.0006854600000000 ] - [ -0.0020274200000000, 0.0018813600000000, 0.0005348800000000 ] - [ 0.0001181400000000, 0.0027303500000000, 0.0012906900000000 ] - [ -0.0004742900000000, -0.0015629200000000, -0.0012926500000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002861700000000, 0.0014148500000000, -0.0000822400000000 ] - [ -0.0003957300000000, -0.0002227400000000, 0.0005283500000000 ] - [ 0.1617691600000000, 0.0000000000000000, -0.0198654400000000 ] - [ -0.0135358200000000, 0.0000000000000000, 0.0021239900000000 ] - [ -0.0009448100000000, -0.0003769800000000, -0.0002723600000000 ] - [ 0.0011870900000000, -0.0005095500000000, -0.0002037900000000 ] - [ -0.0002512100000000, 0.0000000000000000, -0.0001532500000000 ] - [ 0.0004157200000000, 0.0000000000000000, -0.0000923800000000 ] - [ 0.0000695000000000, 0.0000000000000000, 0.0006255300000000 ] - [ 0.0000108100000000, 0.0000000000000000, 0.0001024600000000 ] - [ -0.0173393800000000, 0.0000000000000000, 0.0174583300000000 ] - [ -0.0174932000000000, 0.0000000000000000, -0.0190090800000000 ] - [ -0.0102512500000000, -0.0159568200000000, -0.0045769100000000 ] - [ -0.0112394500000000, 0.0166002200000000, 0.0027497900000000 ] - [ 0.0170358500000000, 0.0002302800000000, -0.0016961700000000 ] - [ -0.0047478100000000, 0.0007479800000000, 0.0005119900000000 ] - [ -0.0102512500000000, 0.0159568200000000, -0.0045769100000000 ] - [ -0.0112394500000000, -0.0166002200000000, 0.0027497900000000 ] - [ -0.0009448100000000, 0.0003769800000000, -0.0002723600000000 ] - [ 0.0011870900000000, 0.0005095500000000, -0.0002037900000000 ] - [ 0.0170358500000000, -0.0002302800000000, -0.0016961700000000 ] - [ -0.0047478100000000, -0.0007479800000000, 0.0005119900000000 ] - [ 0.0002861700000000, -0.0014148500000000, -0.0000822400000000 ] - [ -0.0003957300000000, 0.0002227400000000, 0.0005283500000000 ] - [ 0.0021068600000000, -0.0007051300000000, 0.0010561100000000 ] - [ -0.0019584100000000, -0.0004502000000000, -0.0010689100000000 ] - [ -0.0046420200000000, 0.0002338000000000, 0.0006442800000000 ] - [ 0.0079233800000000, -0.0010652100000000, 0.0003546700000000 ] - [ -0.0009770600000000, -0.0008845400000000, 0.0010482600000000 ] - [ 0.0008820000000000, 0.0009682000000000, -0.0007366600000000 ] - [ 0.0011986600000000, -0.0007215900000000, 0.0007079400000000 ] - [ -0.0010380700000000, 0.0020404600000000, -0.0007909600000000 ] - [ 0.0011986600000000, 0.0007215900000000, 0.0007079400000000 ] - [ -0.0010380700000000, -0.0020404600000000, -0.0007909600000000 ] - [ -0.0046420200000000, -0.0002338000000000, 0.0006442800000000 ] - [ 0.0079233800000000, 0.0010652100000000, 0.0003546700000000 ] - [ -0.0009770600000000, 0.0008845400000000, 0.0010482600000000 ] - [ 0.0008820000000000, -0.0009682000000000, -0.0007366600000000 ] - [ 0.0021068600000000, 0.0007051300000000, 0.0010561100000000 ] - [ -0.0019584100000000, 0.0004502000000000, -0.0010689100000000 ] - [ 0.0076809600000000, 0.0000000000000000, 0.0028215400000000 ] - [ -0.0164029400000000, 0.0000000000000000, 0.0097772400000000 ] - [ -0.0000498300000000, 0.0000000000000000, -0.0000635800000000 ] - [ 0.0001097400000000, 0.0000000000000000, -0.0000118800000000 ] - [ -0.0029752900000000, 0.0000000000000000, -0.0009003400000000 ] - [ 0.0021483300000000, 0.0000000000000000, 0.0004795800000000 ] - [ 0.0002519800000000, 0.0000000000000000, -0.0001248900000000 ] - [ -0.0001375500000000, 0.0000000000000000, 0.0000709200000000 ] - [ -0.0013474900000000, 0.0009365300000000, 0.0016087300000000 ] - [ 0.0013004300000000, -0.0005727900000000, -0.0000952600000000 ] - [ -0.0112846200000000, 0.0024391600000000, 0.0017481800000000 ] - [ 0.0043609600000000, 0.0002647600000000, -0.0024258900000000 ] - [ -0.0000670700000000, 0.0020940300000000, -0.0017094300000000 ] - [ 0.0005188200000000, -0.0022122500000000, 0.0008781300000000 ] - [ -0.0000274800000000, 0.0002027300000000, 0.0000689100000000 ] - [ 0.0006093500000000, 0.0001174000000000, 0.0000106400000000 ] - [ -0.0002277500000000, 0.0001228700000000, -0.0008062800000000 ] - [ 0.0001378200000000, -0.0006251500000000, 0.0003193000000000 ] - [ 0.0004107500000000, -0.0002075500000000, 0.0000088800000000 ] - [ -0.0002205900000000, -0.0004537300000000, -0.0000316700000000 ] - [ 0.0020212800000000, -0.0011550700000000, 0.0002106400000000 ] - [ -0.0026740100000000, 0.0028373500000000, -0.0004144700000000 ] - [ -0.0006610100000000, 0.0006243000000000, 0.0008514700000000 ] - [ 0.0010613600000000, 0.0009597300000000, -0.0001578700000000 ] - [ 0.0001497500000000, -0.0008869300000000, 0.0000120900000000 ] - [ -0.0005223900000000, 0.0005505400000000, 0.0006434000000000 ] - [ -0.0272021500000000, 0.0079949800000000, 0.0116853900000000 ] - [ 0.0065410800000000, 0.0015097800000000, 0.0008393800000000 ] - [ 0.0008441800000000, -0.0006925100000000, -0.0007845800000000 ] - [ -0.0011215900000000, 0.0005262800000000, -0.0001167000000000 ] - [ -0.0272021500000000, -0.0079949800000000, 0.0116853900000000 ] - [ 0.0065410800000000, -0.0015097800000000, 0.0008393800000000 ] - [ 0.0058807000000000, -0.0013430300000000, -0.0013193100000000 ] - [ -0.0245510300000000, -0.0060063400000000, -0.0056267300000000 ] - [ 0.0005399600000000, -0.0002214000000000, -0.0001005500000000 ] - [ 0.0000609500000000, -0.0000152100000000, -0.0001436300000000 ] - [ 0.0027345400000000, 0.0007717300000000, 0.0018706400000000 ] - [ -0.0041502100000000, -0.0004784100000000, -0.0032325400000000 ] - [ 0.0003705800000000, 0.0013668600000000, -0.0018193600000000 ] - [ 0.0000275300000000, -0.0011916700000000, 0.0027599100000000 ] - [ 0.0003705800000000, -0.0013668600000000, -0.0018193600000000 ] - [ 0.0000275300000000, 0.0011916700000000, 0.0027599100000000 ] - [ 0.0058807000000000, 0.0013430300000000, -0.0013193100000000 ] - [ -0.0245510300000000, 0.0060063400000000, -0.0056267300000000 ] - [ -0.0000274800000000, -0.0002027300000000, 0.0000689100000000 ] - [ 0.0006093500000000, -0.0001174000000000, 0.0000106400000000 ] - [ 0.0001497500000000, 0.0008869300000000, 0.0000120900000000 ] - [ -0.0005223900000000, -0.0005505400000000, 0.0006434000000000 ] - [ -0.0013474900000000, -0.0009365300000000, 0.0016087300000000 ] - [ 0.0013004300000000, 0.0005727900000000, -0.0000952600000000 ] - [ 0.0027345400000000, -0.0007717300000000, 0.0018706400000000 ] - [ -0.0041502100000000, 0.0004784100000000, -0.0032325400000000 ] - [ 0.0005399600000000, 0.0002214000000000, -0.0001005500000000 ] - [ 0.0000609500000000, 0.0000152100000000, -0.0001436300000000 ] - [ -0.0002277500000000, -0.0001228700000000, -0.0008062800000000 ] - [ 0.0001378200000000, 0.0006251500000000, 0.0003193000000000 ] - [ -0.0112846200000000, -0.0024391600000000, 0.0017481800000000 ] - [ 0.0043609600000000, -0.0002647600000000, -0.0024258900000000 ] - [ 0.0008441800000000, 0.0006925100000000, -0.0007845800000000 ] - [ -0.0011215900000000, -0.0005262800000000, -0.0001167000000000 ] - [ -0.0019455300000000, -0.0016960600000000, 0.0001613300000000 ] - [ 0.0018720100000000, 0.0023751500000000, 0.0003144700000000 ] - [ 0.0020212800000000, 0.0011550700000000, 0.0002106400000000 ] - [ -0.0026740100000000, -0.0028373500000000, -0.0004144700000000 ] - [ 0.0004107500000000, 0.0002075500000000, 0.0000088800000000 ] - [ -0.0002205900000000, 0.0004537300000000, -0.0000316700000000 ] - [ -0.0006610100000000, -0.0006243000000000, 0.0008514700000000 ] - [ 0.0010613600000000, -0.0009597300000000, -0.0001578700000000 ] - [ -0.0019455300000000, 0.0016960600000000, 0.0001613300000000 ] - [ 0.0018720100000000, -0.0023751500000000, 0.0003144700000000 ] - [ -0.0000670700000000, -0.0020940300000000, -0.0017094300000000 ] - [ 0.0005188200000000, 0.0022122500000000, 0.0008781300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027745500000000, 0.0051677900000000, -0.0014578400000000 ] - [ 0.0025722100000000, 0.0055553200000000, -0.0021088800000000 ] - [ -0.0003916200000000, -0.1640638000000000, 0.0011300500000000 ] - [ -0.0000470600000000, -0.0076426400000000, 0.0003156800000000 ] - [ -0.0000482100000000, 0.0018569400000000, -0.0007116000000000 ] - [ -0.0005508300000000, 0.0038164400000000, 0.0008733400000000 ] - [ 0.0000568900000000, 0.0043161100000000, -0.0002886500000000 ] - [ 0.0000564400000000, 0.0062338500000000, -0.0002855600000000 ] - [ 0.0000574400000000, 0.0047158300000000, 0.0002896700000000 ] - [ 0.0000555800000000, 0.0046864100000000, 0.0002894300000000 ] - [ -0.0000831900000000, -0.0232184800000000, -0.0002684100000000 ] - [ -0.0000284800000000, -0.0232183800000000, -0.0002617600000000 ] - [ 0.0183222700000000, 0.0103952200000000, 0.0035159900000000 ] - [ -0.0164089300000000, 0.0072394400000000, 0.0027585100000000 ] - [ 0.0000712200000000, 0.0152990600000000, -0.0197669800000000 ] - [ 0.0000437600000000, -0.0005636000000000, -0.0010614200000000 ] - [ -0.0183087700000000, 0.0094410500000000, -0.0037610500000000 ] - [ 0.0161403900000000, 0.0063333500000000, -0.0030044800000000 ] - [ 0.0001905000000000, 0.0027739700000000, 0.0004566800000000 ] - [ 0.0006920900000000, 0.0047275600000000, -0.0011230200000000 ] - [ -0.0002293600000000, 0.0142756900000000, 0.0198009300000000 ] - [ -0.0001815100000000, -0.0014650000000000, 0.0013137500000000 ] - [ 0.0029274200000000, 0.0042536300000000, 0.0017172900000000 ] - [ -0.0024447100000000, 0.0046449400000000, 0.0023678300000000 ] - [ 0.0006472200000000, 0.0052088200000000, 0.0021894600000000 ] - [ -0.0009895500000000, 0.0018734700000000, 0.0009390900000000 ] - [ -0.0012849700000000, -0.0022347200000000, 0.0004709500000000 ] - [ 0.0103908500000000, 0.0106160100000000, -0.0154288300000000 ] - [ 0.0013621400000000, 0.0026514300000000, -0.0024876700000000 ] - [ -0.0015811500000000, 0.0025989600000000, -0.0012811500000000 ] - [ 0.0022154000000000, -0.0014009000000000, 0.0007451200000000 ] - [ -0.0015447800000000, -0.0007544500000000, 0.0012910900000000 ] - [ -0.0021039300000000, -0.0020285700000000, -0.0011003700000000 ] - [ 0.0016435300000000, -0.0013777100000000, -0.0016477900000000 ] - [ 0.0014017500000000, -0.0016310500000000, -0.0001343900000000 ] - [ -0.0103035300000000, 0.0112945000000000, 0.0158811300000000 ] - [ -0.0014614300000000, 0.0032817200000000, 0.0028362600000000 ] - [ 0.0014671100000000, 0.0032356200000000, 0.0016342600000000 ] - [ -0.0007394100000000, 0.0058149700000000, -0.0025295600000000 ] - [ 0.0008836600000000, 0.0025111100000000, -0.0012929200000000 ] - [ -0.0000273100000000, 0.0043878400000000, -0.0000067400000000 ] - [ -0.0001091700000000, 0.0091146200000000, 0.0000104800000000 ] - [ 0.0000481700000000, -0.0020295500000000, 0.0000092900000000 ] - [ 0.0000501400000000, -0.0017317100000000, 0.0000106400000000 ] - [ -0.0000472900000000, 0.0047449500000000, 0.0000180300000000 ] - [ -0.0000495000000000, 0.0015101000000000, 0.0000116500000000 ] - [ 0.0000492000000000, -0.0013877500000000, -0.0000107200000000 ] - [ 0.0000494100000000, -0.0018284100000000, -0.0000106300000000 ] - [ -0.0018300000000000, 0.0010338100000000, 0.0021724100000000 ] - [ 0.0008871700000000, 0.0002012600000000, 0.0000983900000000 ] - [ -0.0065365000000000, 0.0104334900000000, 0.0024324300000000 ] - [ -0.0001959500000000, 0.0015764800000000, -0.0007894800000000 ] - [ -0.0025795100000000, -0.0043014600000000, 0.0012842500000000 ] - [ 0.0006071400000000, -0.0018277200000000, 0.0006764800000000 ] - [ 0.0000724600000000, -0.0034825900000000, -0.0000133500000000 ] - [ 0.0008271600000000, -0.0024483200000000, -0.0002219900000000 ] - [ 0.0003677200000000, -0.0018799100000000, 0.0015202600000000 ] - [ 0.0008864000000000, -0.0017663900000000, 0.0015810800000000 ] - [ 0.0004620100000000, -0.0016809800000000, -0.0012053500000000 ] - [ 0.0008955300000000, -0.0029628500000000, -0.0022707400000000 ] - [ 0.0015743700000000, -0.0011081900000000, 0.0001600100000000 ] - [ 0.0006419100000000, -0.0054703800000000, 0.0007249100000000 ] - [ -0.0024756300000000, -0.0062503700000000, -0.0047301600000000 ] - [ 0.0001546600000000, 0.0001895300000000, -0.0004611000000000 ] - [ 0.0007597700000000, -0.0005612700000000, 0.0004607700000000 ] - [ -0.0011582200000000, -0.0005791900000000, 0.0012077900000000 ] - [ -0.0086696800000000, 0.0288350000000000, 0.0116323800000000 ] - [ -0.0043731700000000, 0.0044860100000000, -0.0015536400000000 ] - [ -0.0007910600000000, -0.0006563500000000, 0.0004023000000000 ] - [ 0.0018172600000000, -0.0031859700000000, 0.0002848700000000 ] - [ 0.0088462600000000, 0.0294084600000000, -0.0122474000000000 ] - [ 0.0037944800000000, 0.0042813000000000, 0.0017151700000000 ] - [ 0.0039950800000000, 0.0045561500000000, -0.0015824700000000 ] - [ 0.0026073500000000, 0.0217239800000000, 0.0050790700000000 ] - [ 0.0006251100000000, -0.0026327200000000, 0.0004506700000000 ] - [ 0.0001402800000000, -0.0031645500000000, 0.0003289700000000 ] - [ -0.0025861600000000, 0.0012082500000000, -0.0025162900000000 ] - [ 0.0070295900000000, -0.0037619100000000, 0.0000301000000000 ] - [ -0.0010394400000000, 0.0019114200000000, -0.0008512500000000 ] - [ 0.0015331900000000, 0.0017524500000000, 0.0011912900000000 ] - [ 0.0010239100000000, 0.0013693600000000, 0.0011861000000000 ] - [ -0.0015451600000000, 0.0012065800000000, -0.0008541700000000 ] - [ -0.0045939200000000, 0.0043465600000000, 0.0014146400000000 ] - [ -0.0038101700000000, 0.0221713700000000, -0.0058450100000000 ] - [ 0.0005117700000000, -0.0037032500000000, 0.0001786400000000 ] - [ -0.0002389600000000, -0.0026696700000000, 0.0003884300000000 ] - [ -0.0008135900000000, 0.0000803400000000, -0.0000401400000000 ] - [ 0.0011140800000000, 0.0000639000000000, -0.0007932400000000 ] - [ 0.0019798900000000, 0.0005456200000000, -0.0013107400000000 ] - [ -0.0007314800000000, -0.0002876500000000, 0.0007596800000000 ] - [ 0.0027230300000000, 0.0007076000000000, 0.0016523300000000 ] - [ -0.0068412300000000, -0.0042453200000000, -0.0008862900000000 ] - [ -0.0000419500000000, -0.0024120500000000, -0.0006198600000000 ] - [ 0.0004467200000000, -0.0029443600000000, -0.0004987500000000 ] - [ -0.0003512600000000, -0.0013375800000000, -0.0018561700000000 ] - [ -0.0008685400000000, -0.0012248300000000, -0.0019171400000000 ] - [ 0.0067310700000000, 0.0116129800000000, -0.0022487700000000 ] - [ 0.0001673400000000, 0.0021427100000000, 0.0004615500000000 ] - [ 0.0006306400000000, -0.0001742100000000, -0.0012562100000000 ] - [ -0.0019687000000000, -0.0026965000000000, -0.0011360900000000 ] - [ 0.0005411800000000, -0.0026187000000000, 0.0009922000000000 ] - [ -0.0019601100000000, -0.0022748800000000, 0.0005729000000000 ] - [ -0.0015260700000000, -0.0017438800000000, 0.0002609900000000 ] - [ -0.0005844900000000, -0.0061456400000000, -0.0003008500000000 ] - [ -0.0004469000000000, -0.0011399600000000, 0.0015419800000000 ] - [ -0.0008755400000000, -0.0024155700000000, 0.0025983100000000 ] - [ 0.0024126500000000, -0.0069027900000000, 0.0043267200000000 ] - [ -0.0001996800000000, -0.0004628800000000, 0.0000453500000000 ] - [ -0.0007078600000000, -0.0031098800000000, -0.0001408800000000 ] - [ 0.0018086300000000, -0.0027590700000000, 0.0002834700000000 ] - [ 0.0026209000000000, -0.0036564400000000, -0.0016975100000000 ] - [ -0.0005513100000000, -0.0011984000000000, -0.0010980400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0024906900000000, -0.0016633400000000, 0.0004230500000000 ] - [ -0.0014737400000000, -0.0024209700000000, 0.0012013700000000 ] - [ 0.0210787900000000, 0.0000000000000000, -0.1516729400000000 ] - [ -0.0019030300000000, 0.0000000000000000, -0.0071763500000000 ] - [ -0.0003445600000000, -0.0007604700000000, 0.0013352400000000 ] - [ -0.0003296100000000, -0.0000295100000000, 0.0036173300000000 ] - [ -0.0000779800000000, 0.0000000000000000, -0.0005159700000000 ] - [ -0.0001405900000000, 0.0000000000000000, -0.0006297900000000 ] - [ 0.0003949400000000, 0.0000000000000000, 0.0014834900000000 ] - [ -0.0001294200000000, 0.0000000000000000, 0.0012655900000000 ] - [ -0.0185607600000000, 0.0000000000000000, 0.0085441100000000 ] - [ 0.0177374700000000, 0.0000000000000000, 0.0085373100000000 ] - [ -0.0010557800000000, -0.0015336500000000, -0.0130772000000000 ] - [ 0.0014256200000000, -0.0003308700000000, -0.0119856400000000 ] - [ 0.0010173400000000, -0.0172092500000000, 0.0112469000000000 ] - [ -0.0005649100000000, -0.0007173300000000, 0.0006621300000000 ] - [ -0.0010557800000000, 0.0015336500000000, -0.0130772000000000 ] - [ 0.0014256200000000, 0.0003308700000000, -0.0119856400000000 ] - [ -0.0003445600000000, 0.0007604700000000, 0.0013352400000000 ] - [ -0.0003296100000000, 0.0000295100000000, 0.0036173300000000 ] - [ 0.0010173400000000, 0.0172092500000000, 0.0112469000000000 ] - [ -0.0005649100000000, 0.0007173300000000, 0.0006621300000000 ] - [ 0.0024906900000000, 0.0016633400000000, 0.0004230500000000 ] - [ -0.0014737400000000, 0.0024209700000000, 0.0012013700000000 ] - [ -0.0009550700000000, -0.0004416600000000, -0.0026880000000000 ] - [ -0.0003016900000000, -0.0006811700000000, -0.0011424200000000 ] - [ -0.0002828700000000, -0.0021015700000000, 0.0023149700000000 ] - [ -0.0087331000000000, -0.0165231800000000, 0.0173432600000000 ] - [ -0.0005077300000000, -0.0010937900000000, 0.0011954400000000 ] - [ 0.0007110900000000, -0.0010061100000000, 0.0002736600000000 ] - [ -0.0001802300000000, -0.0015262300000000, 0.0036128500000000 ] - [ 0.0001846100000000, -0.0016800400000000, 0.0036651900000000 ] - [ -0.0001802300000000, 0.0015262300000000, 0.0036128500000000 ] - [ 0.0001846100000000, 0.0016800400000000, 0.0036651900000000 ] - [ -0.0002828700000000, 0.0021015700000000, 0.0023149700000000 ] - [ -0.0087331000000000, 0.0165231800000000, 0.0173432600000000 ] - [ -0.0005077300000000, 0.0010937900000000, 0.0011954400000000 ] - [ 0.0007110900000000, 0.0010061100000000, 0.0002736600000000 ] - [ -0.0009550700000000, 0.0004416600000000, -0.0026880000000000 ] - [ -0.0003016900000000, 0.0006811700000000, -0.0011424200000000 ] - [ -0.0034931200000000, 0.0000000000000000, 0.0018971300000000 ] - [ -0.0053465100000000, 0.0000000000000000, 0.0115801700000000 ] - [ 0.0000262800000000, 0.0000000000000000, 0.0001726700000000 ] - [ 0.0001646200000000, 0.0000000000000000, 0.0001883500000000 ] - [ 0.0015731700000000, 0.0000000000000000, -0.0040825500000000 ] - [ -0.0005064300000000, 0.0000000000000000, -0.0006201400000000 ] - [ 0.0000830100000000, 0.0000000000000000, -0.0003537200000000 ] - [ 0.0001018400000000, 0.0000000000000000, -0.0003906000000000 ] - [ 0.0009043000000000, 0.0013117500000000, -0.0025762700000000 ] - [ 0.0001310100000000, 0.0005776000000000, -0.0005024800000000 ] - [ 0.0027557000000000, -0.0031320400000000, 0.0034947000000000 ] - [ 0.0010470300000000, 0.0011576600000000, -0.0002221400000000 ] - [ 0.0015328100000000, 0.0018889900000000, -0.0004046200000000 ] - [ -0.0001601100000000, 0.0000539900000000, 0.0000566200000000 ] - [ 0.0001169000000000, -0.0008377400000000, -0.0006343500000000 ] - [ 0.0008048400000000, -0.0002873800000000, -0.0006703700000000 ] - [ -0.0003698300000000, 0.0001762700000000, -0.0011319100000000 ] - [ -0.0003306400000000, 0.0000054100000000, -0.0008244700000000 ] - [ -0.0003746000000000, -0.0002718200000000, 0.0007840500000000 ] - [ -0.0004692900000000, -0.0005199600000000, 0.0014112000000000 ] - [ 0.0006536400000000, -0.0004209300000000, 0.0006975400000000 ] - [ 0.0006133200000000, -0.0021496100000000, 0.0027829300000000 ] - [ -0.0029290100000000, -0.0062730200000000, -0.0044252600000000 ] - [ -0.0001366300000000, -0.0005553300000000, -0.0009353200000000 ] - [ 0.0003350300000000, -0.0015503300000000, -0.0010895400000000 ] - [ 0.0012594800000000, -0.0012086900000000, -0.0017191600000000 ] - [ -0.0129252900000000, 0.0126528000000000, 0.0284555000000000 ] - [ -0.0026613400000000, 0.0000202200000000, 0.0029956600000000 ] - [ 0.0003803100000000, -0.0001319100000000, -0.0009036700000000 ] - [ -0.0011274100000000, 0.0016457600000000, -0.0010750300000000 ] - [ -0.0129252900000000, -0.0126528000000000, 0.0284555000000000 ] - [ -0.0026613400000000, -0.0000202200000000, 0.0029956600000000 ] - [ 0.0031403100000000, -0.0005879500000000, 0.0024035000000000 ] - [ 0.0058426000000000, 0.0070886000000000, 0.0232960100000000 ] - [ 0.0000119000000000, 0.0000051900000000, -0.0006848400000000 ] - [ 0.0002853600000000, 0.0002596100000000, -0.0006436300000000 ] - [ 0.0005540400000000, -0.0008772200000000, 0.0006727600000000 ] - [ 0.0065458300000000, -0.0051665300000000, 0.0013292500000000 ] - [ 0.0000202900000000, 0.0016206300000000, -0.0021594200000000 ] - [ -0.0019416200000000, 0.0016095100000000, -0.0033221200000000 ] - [ 0.0000202900000000, -0.0016206300000000, -0.0021594200000000 ] - [ -0.0019416200000000, -0.0016095100000000, -0.0033221200000000 ] - [ 0.0031403100000000, 0.0005879500000000, 0.0024035000000000 ] - [ 0.0058426000000000, -0.0070886000000000, 0.0232960100000000 ] - [ 0.0001169000000000, 0.0008377400000000, -0.0006343500000000 ] - [ 0.0008048400000000, 0.0002873800000000, -0.0006703700000000 ] - [ 0.0003350300000000, 0.0015503300000000, -0.0010895400000000 ] - [ 0.0012594800000000, 0.0012086900000000, -0.0017191600000000 ] - [ 0.0009043000000000, -0.0013117500000000, -0.0025762700000000 ] - [ 0.0001310100000000, -0.0005776000000000, -0.0005024800000000 ] - [ 0.0005540400000000, 0.0008772200000000, 0.0006727600000000 ] - [ 0.0065458300000000, 0.0051665300000000, 0.0013292500000000 ] - [ 0.0000119000000000, -0.0000051900000000, -0.0006848400000000 ] - [ 0.0002853600000000, -0.0002596100000000, -0.0006436300000000 ] - [ -0.0003698300000000, -0.0001762700000000, -0.0011319100000000 ] - [ -0.0003306400000000, -0.0000054100000000, -0.0008244700000000 ] - [ 0.0027557000000000, 0.0031320400000000, 0.0034947000000000 ] - [ 0.0010470300000000, -0.0011576600000000, -0.0002221400000000 ] - [ 0.0003803100000000, 0.0001319100000000, -0.0009036700000000 ] - [ -0.0011274100000000, -0.0016457600000000, -0.0010750300000000 ] - [ -0.0002003300000000, 0.0014458400000000, 0.0020754700000000 ] - [ 0.0000902200000000, -0.0002276200000000, 0.0013579300000000 ] - [ 0.0006536400000000, 0.0004209300000000, 0.0006975400000000 ] - [ 0.0006133200000000, 0.0021496100000000, 0.0027829300000000 ] - [ -0.0003746000000000, 0.0002718200000000, 0.0007840500000000 ] - [ -0.0004692900000000, 0.0005199600000000, 0.0014112000000000 ] - [ -0.0029290100000000, 0.0062730200000000, -0.0044252600000000 ] - [ -0.0001366300000000, 0.0005553300000000, -0.0009353200000000 ] - [ -0.0002003300000000, -0.0014458400000000, 0.0020754700000000 ] - [ 0.0000902200000000, 0.0002276200000000, 0.0013579300000000 ] - [ 0.0015328100000000, -0.0018889900000000, -0.0004046200000000 ] - [ -0.0001601100000000, -0.0000539900000000, 0.0000566200000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0023367600000000, 0.0025651700000000, -0.0001810000000000 ] - [ 0.0016060900000000, 0.0033209100000000, -0.0009523100000000 ] - [ -0.0212872200000000, 0.0000000000000000, 0.1535302000000000 ] - [ 0.0017864500000000, 0.0000000000000000, 0.0077324000000000 ] - [ 0.0004882500000000, -0.0001508600000000, -0.0015763900000000 ] - [ 0.0004664600000000, -0.0008744700000000, -0.0038472500000000 ] - [ 0.0001904800000000, 0.0000000000000000, -0.0000736600000000 ] - [ 0.0002513100000000, 0.0000000000000000, 0.0000390000000000 ] - [ -0.0002810700000000, 0.0000000000000000, -0.0008900500000000 ] - [ 0.0002407700000000, 0.0000000000000000, -0.0006733600000000 ] - [ 0.0186040800000000, 0.0000000000000000, -0.0091209700000000 ] - [ -0.0179853000000000, 0.0000000000000000, -0.0091279100000000 ] - [ 0.0008644200000000, 0.0023934700000000, 0.0127518800000000 ] - [ -0.0015060500000000, 0.0012066200000000, 0.0116606100000000 ] - [ -0.0011765800000000, 0.0182602600000000, -0.0109926100000000 ] - [ 0.0004271900000000, 0.0016294200000000, -0.0004049900000000 ] - [ 0.0008644200000000, -0.0023934700000000, 0.0127518800000000 ] - [ -0.0015060500000000, -0.0012066200000000, 0.0116606100000000 ] - [ 0.0004882500000000, 0.0001508600000000, -0.0015763900000000 ] - [ 0.0004664600000000, 0.0008744700000000, -0.0038472500000000 ] - [ -0.0011765800000000, -0.0182602600000000, -0.0109926100000000 ] - [ 0.0004271900000000, -0.0016294200000000, -0.0004049900000000 ] - [ -0.0023367600000000, -0.0025651700000000, -0.0001810000000000 ] - [ 0.0016060900000000, -0.0033209100000000, -0.0009523100000000 ] - [ 0.0008464100000000, -0.0001945600000000, 0.0023177900000000 ] - [ 0.0001978300000000, 0.0000456800000000, 0.0007819800000000 ] - [ 0.0003865000000000, 0.0014655400000000, -0.0019541100000000 ] - [ 0.0087821300000000, 0.0157278900000000, -0.0168775100000000 ] - [ 0.0003990500000000, 0.0004597300000000, -0.0008305200000000 ] - [ -0.0008151100000000, 0.0003653000000000, 0.0000873100000000 ] - [ 0.0002995000000000, 0.0021753200000000, -0.0039573200000000 ] - [ -0.0000881800000000, 0.0023075300000000, -0.0040116600000000 ] - [ 0.0002995000000000, -0.0021753200000000, -0.0039573200000000 ] - [ -0.0000881800000000, -0.0023075300000000, -0.0040116600000000 ] - [ 0.0003865000000000, -0.0014655400000000, -0.0019541100000000 ] - [ 0.0087821300000000, -0.0157278900000000, -0.0168775100000000 ] - [ 0.0003990500000000, -0.0004597300000000, -0.0008305200000000 ] - [ -0.0008151100000000, -0.0003653000000000, 0.0000873100000000 ] - [ 0.0008464100000000, 0.0001945600000000, 0.0023177900000000 ] - [ 0.0001978300000000, -0.0000456800000000, 0.0007819800000000 ] - [ 0.0033666700000000, 0.0000000000000000, -0.0018723300000000 ] - [ 0.0050266300000000, 0.0000000000000000, -0.0114577200000000 ] - [ 0.0000800100000000, 0.0000000000000000, -0.0001686900000000 ] - [ -0.0000588000000000, 0.0000000000000000, -0.0001847600000000 ] - [ -0.0017176000000000, 0.0000000000000000, 0.0041587600000000 ] - [ 0.0003960300000000, 0.0000000000000000, 0.0006164900000000 ] - [ 0.0000229400000000, 0.0000000000000000, 0.0003489900000000 ] - [ 0.0000043500000000, 0.0000000000000000, 0.0003863900000000 ] - [ -0.0007476000000000, -0.0008403400000000, 0.0034172500000000 ] - [ 0.0000271800000000, -0.0000968600000000, 0.0013523200000000 ] - [ -0.0026599700000000, 0.0022013600000000, -0.0035723100000000 ] - [ -0.0010582800000000, -0.0016932500000000, -0.0001114300000000 ] - [ -0.0014766600000000, -0.0025138100000000, -0.0000182900000000 ] - [ 0.0002057500000000, -0.0006850100000000, -0.0004791400000000 ] - [ 0.0004682400000000, 0.0010510900000000, 0.0007997000000000 ] - [ -0.0002166500000000, 0.0005051000000000, 0.0008362700000000 ] - [ 0.0003810300000000, -0.0007151100000000, 0.0007881200000000 ] - [ 0.0003420200000000, -0.0005443300000000, 0.0004830900000000 ] - [ 0.0003858600000000, -0.0002685200000000, -0.0004438500000000 ] - [ 0.0004799400000000, -0.0000212800000000, -0.0010670100000000 ] - [ -0.0006007000000000, 0.0010576500000000, -0.0002758300000000 ] - [ -0.0005589600000000, 0.0027774800000000, -0.0023551400000000 ] - [ 0.0028683200000000, 0.0068924400000000, 0.0040105900000000 ] - [ 0.0000883000000000, 0.0011941400000000, 0.0005149200000000 ] - [ -0.0003904700000000, 0.0009171600000000, 0.0015063000000000 ] - [ -0.0013014000000000, 0.0005675700000000, 0.0021308400000000 ] - [ 0.0130099000000000, -0.0131892200000000, -0.0288034000000000 ] - [ 0.0020583200000000, 0.0002080800000000, -0.0028169600000000 ] - [ -0.0005306500000000, -0.0003529500000000, 0.0000437400000000 ] - [ 0.0009713400000000, -0.0021221300000000, 0.0002146600000000 ] - [ 0.0130099000000000, 0.0131892200000000, -0.0288034000000000 ] - [ 0.0020583200000000, -0.0002080800000000, -0.0028169600000000 ] - [ -0.0037175700000000, 0.0008149400000000, -0.0025678700000000 ] - [ -0.0069943300000000, -0.0074741200000000, -0.0239366500000000 ] - [ 0.0005721600000000, -0.0002225800000000, 0.0005148000000000 ] - [ 0.0003013700000000, -0.0004764800000000, 0.0004742600000000 ] - [ -0.0003985300000000, 0.0013558900000000, -0.0015188800000000 ] - [ -0.0063607900000000, 0.0056217500000000, -0.0021685300000000 ] - [ -0.0000428900000000, -0.0010823700000000, 0.0024797000000000 ] - [ 0.0019311400000000, -0.0010706700000000, 0.0036411900000000 ] - [ -0.0000428900000000, 0.0010823700000000, 0.0024797000000000 ] - [ 0.0019311400000000, 0.0010706700000000, 0.0036411900000000 ] - [ -0.0037175700000000, -0.0008149400000000, -0.0025678700000000 ] - [ -0.0069943300000000, 0.0074741200000000, -0.0239366500000000 ] - [ 0.0004682400000000, -0.0010510900000000, 0.0007997000000000 ] - [ -0.0002166500000000, -0.0005051000000000, 0.0008362700000000 ] - [ -0.0003904700000000, -0.0009171600000000, 0.0015063000000000 ] - [ -0.0013014000000000, -0.0005675700000000, 0.0021308400000000 ] - [ -0.0007476000000000, 0.0008403400000000, 0.0034172500000000 ] - [ 0.0000271800000000, 0.0000968600000000, 0.0013523200000000 ] - [ -0.0003985300000000, -0.0013558900000000, -0.0015188800000000 ] - [ -0.0063607900000000, -0.0056217500000000, -0.0021685300000000 ] - [ 0.0005721600000000, 0.0002225800000000, 0.0005148000000000 ] - [ 0.0003013700000000, 0.0004764800000000, 0.0004742600000000 ] - [ 0.0003810300000000, 0.0007151100000000, 0.0007881200000000 ] - [ 0.0003420200000000, 0.0005443300000000, 0.0004830900000000 ] - [ -0.0026599700000000, -0.0022013600000000, -0.0035723100000000 ] - [ -0.0010582800000000, 0.0016932500000000, -0.0001114300000000 ] - [ -0.0005306500000000, 0.0003529500000000, 0.0000437400000000 ] - [ 0.0009713400000000, 0.0021221300000000, 0.0002146600000000 ] - [ 0.0000476300000000, -0.0009582000000000, -0.0012096900000000 ] - [ -0.0002440500000000, 0.0007067500000000, -0.0004980700000000 ] - [ -0.0006007000000000, -0.0010576500000000, -0.0002758300000000 ] - [ -0.0005589600000000, -0.0027774800000000, -0.0023551400000000 ] - [ 0.0003858600000000, 0.0002685200000000, -0.0004438500000000 ] - [ 0.0004799400000000, 0.0000212800000000, -0.0010670100000000 ] - [ 0.0028683200000000, -0.0068924400000000, 0.0040105900000000 ] - [ 0.0000883000000000, -0.0011941400000000, 0.0005149200000000 ] - [ 0.0000476300000000, 0.0009582000000000, -0.0012096900000000 ] - [ -0.0002440500000000, -0.0007067500000000, -0.0004980700000000 ] - [ -0.0014766600000000, 0.0025138100000000, -0.0000182900000000 ] - [ 0.0002057500000000, 0.0006850100000000, -0.0004791400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000989800000000, 0.0029547300000000, 0.0017886200000000 ] - [ 0.0005984800000000, -0.0013431700000000, 0.0000087000000000 ] - [ -0.0022174700000000, 0.0007008400000000, -0.0006162300000000 ] - [ 0.0018509000000000, -0.0009380000000000, 0.0000397800000000 ] - [ 0.0043541900000000, -0.0000362200000000, 0.0001106700000000 ] - [ -0.0045586600000000, -0.0000022100000000, 0.0004742300000000 ] - [ 0.0047542100000000, 0.0013477200000000, -0.0006176700000000 ] - [ -0.0077491400000000, -0.0103879700000000, -0.0090691900000000 ] - [ -0.0011006100000000, 0.0021633600000000, 0.0005279800000000 ] - [ 0.0011577200000000, -0.0015969300000000, 0.0001533800000000 ] - [ -0.0009912600000000, -0.0015253000000000, -0.0010531500000000 ] - [ 0.0008721300000000, 0.0014162800000000, 0.0001668600000000 ] - [ 0.0115572300000000, -0.0248210300000000, -0.0105474200000000 ] - [ 0.0128352200000000, 0.0129662400000000, -0.0007859100000000 ] - [ -0.0105252400000000, 0.0065174000000000, 0.0093259400000000 ] - [ 0.0048479400000000, 0.0004113700000000, -0.0003895500000000 ] - [ -0.0002534800000000, -0.0008134300000000, -0.0003342100000000 ] - [ 0.0001331200000000, -0.0004558500000000, -0.0001599400000000 ] - [ 0.0009926600000000, 0.0006583800000000, -0.0001876700000000 ] - [ -0.0008343300000000, -0.0003313500000000, -0.0005235900000000 ] - [ -0.0006292300000000, -0.0004179600000000, -0.0000322800000000 ] - [ 0.0005117400000000, -0.0005978900000000, 0.0000187600000000 ] - [ 0.0100073800000000, 0.0053564200000000, 0.0263324100000000 ] - [ 0.0101123800000000, 0.0014891800000000, -0.0087992200000000 ] - [ -0.3153112000000000, 0.0094342700000000, 0.0075564300000000 ] - [ 0.0104645800000000, -0.0010870000000000, 0.0007205200000000 ] - [ 0.0005621800000000, -0.0005892700000000, 0.0004420300000000 ] - [ -0.0004166200000000, -0.0005091700000000, 0.0002491900000000 ] - [ 0.0056264300000000, 0.0043118100000000, -0.0086756600000000 ] - [ 0.0056322000000000, -0.0008405000000000, 0.0079700900000000 ] - [ -0.0023843900000000, -0.0008304000000000, 0.0005336200000000 ] - [ 0.0016262500000000, 0.0006693200000000, 0.0001814500000000 ] - [ -0.0004744000000000, -0.0002725600000000, -0.0000659800000000 ] - [ 0.0004750400000000, -0.0003818500000000, -0.0001962800000000 ] - [ 0.0045752200000000, -0.0005395800000000, 0.0012512300000000 ] - [ -0.0088047100000000, 0.0014032500000000, -0.0007401400000000 ] - [ -0.0000454000000000, 0.0008155000000000, -0.0000415200000000 ] - [ -0.0000427200000000, -0.0002522400000000, 0.0002276000000000 ] - [ -0.0028749300000000, -0.0000992700000000, 0.0006308100000000 ] - [ 0.0015020200000000, 0.0001768700000000, -0.0003912100000000 ] - [ -0.0001868300000000, 0.0010943600000000, -0.0001912100000000 ] - [ 0.0000218700000000, -0.0005297700000000, 0.0001785200000000 ] - [ 0.0020274900000000, -0.0036389300000000, -0.0022843600000000 ] - [ -0.0021227300000000, 0.0008680600000000, 0.0006189800000000 ] - [ 0.0005421700000000, -0.0006916100000000, -0.0002339200000000 ] - [ -0.0005197000000000, 0.0000649000000000, 0.0000613100000000 ] - [ -0.0006468800000000, -0.0003745200000000, 0.0001392300000000 ] - [ 0.0008200400000000, 0.0003305900000000, -0.0001533700000000 ] - [ 0.0028345500000000, 0.0002991200000000, -0.0012129400000000 ] - [ -0.0014195700000000, 0.0006106500000000, 0.0005896100000000 ] - [ 0.0003106000000000, -0.0002032400000000, -0.0003255700000000 ] - [ -0.0002568400000000, -0.0001022700000000, -0.0001578700000000 ] - [ -0.0001430200000000, -0.0005200400000000, 0.0077439100000000 ] - [ -0.0036274000000000, -0.0017650900000000, -0.0013155400000000 ] - [ 0.0054705900000000, -0.0017802900000000, -0.0003839500000000 ] - [ -0.0023795600000000, 0.0004109000000000, 0.0007706400000000 ] - [ 0.0018070200000000, -0.0013991800000000, 0.0031688900000000 ] - [ -0.0025366600000000, -0.0002796700000000, -0.0037172700000000 ] - [ -0.0053158500000000, -0.0008235300000000, 0.0018191900000000 ] - [ 0.0952073600000000, -0.0102580900000000, -0.0931132200000000 ] - [ -0.0003089800000000, 0.0005241100000000, 0.0002591700000000 ] - [ 0.0003662300000000, 0.0002682200000000, 0.0000333900000000 ] - [ 0.0049091600000000, 0.0022049900000000, -0.0030065600000000 ] - [ -0.0023464300000000, -0.0013240900000000, -0.0007215800000000 ] - [ 0.0000410500000000, -0.0005792700000000, -0.0000536100000000 ] - [ -0.0001399700000000, 0.0000432100000000, 0.0003355600000000 ] - [ 0.0002228700000000, 0.0003548700000000, 0.0000687700000000 ] - [ -0.0008515800000000, 0.0000345300000000, 0.0003732600000000 ] - [ -0.0037827000000000, 0.0012371300000000, 0.0018968900000000 ] - [ 0.0003890700000000, 0.0001054200000000, -0.0055138300000000 ] - [ 0.0043845200000000, 0.0009075800000000, 0.0027804600000000 ] - [ -0.0029114300000000, -0.0014883200000000, -0.0010212700000000 ] - [ -0.0004890700000000, 0.0007386800000000, 0.0000855800000000 ] - [ -0.0000370500000000, -0.0004060500000000, 0.0000396900000000 ] - [ -0.0003325700000000, -0.0009258700000000, -0.0005305000000000 ] - [ -0.0006204300000000, 0.0017261200000000, 0.0009762700000000 ] - [ -0.0053669800000000, 0.0035018300000000, -0.0035038100000000 ] - [ 0.0025909900000000, -0.0054412200000000, 0.0047448600000000 ] - [ 0.0000772800000000, 0.0010385200000000, 0.0002713600000000 ] - [ -0.0007047100000000, -0.0002118100000000, -0.0006248700000000 ] - [ 0.0000544300000000, -0.0001929700000000, 0.0003054000000000 ] - [ -0.0000462100000000, -0.0003587700000000, 0.0000464400000000 ] - [ -0.0041428400000000, 0.0031265700000000, 0.0038484400000000 ] - [ -0.0006462600000000, -0.0046825000000000, -0.0009891200000000 ] - [ 0.0034986400000000, 0.0009349800000000, 0.0003008200000000 ] - [ -0.0009868600000000, 0.0002419000000000, 0.0003856100000000 ] - [ 0.0003047100000000, 0.0026143400000000, -0.0016595100000000 ] - [ -0.0001240700000000, -0.0006096100000000, 0.0005234200000000 ] - [ 0.0004728300000000, -0.0000928200000000, 0.0003082100000000 ] - [ -0.0002375400000000, -0.0003581000000000, 0.0005243500000000 ] - [ -0.0002023900000000, -0.0002412200000000, -0.0004961000000000 ] - [ 0.0003471800000000, 0.0000168000000000, -0.0003787100000000 ] - [ -0.0034767700000000, -0.0036467300000000, -0.0031464400000000 ] - [ -0.0000609000000000, 0.0004023400000000, 0.0033537200000000 ] - [ 0.0002985300000000, 0.0000325200000000, -0.0000137500000000 ] - [ -0.0002300700000000, 0.0005521600000000, -0.0000846500000000 ] - [ 0.0045911700000000, 0.0031922000000000, -0.0020445800000000 ] - [ -0.0019676700000000, 0.0005331800000000, 0.0013891800000000 ] - [ -0.0003006100000000, 0.0000123800000000, -0.0002589900000000 ] - [ 0.0001105500000000, 0.0005009000000000, -0.0004901800000000 ] - [ 0.0011044700000000, -0.0001495600000000, 0.0010553300000000 ] - [ -0.0008737600000000, 0.0004031100000000, 0.0000359900000000 ] - [ -0.0054637500000000, -0.0020243900000000, 0.0002536100000000 ] - [ 0.0792758300000000, 0.0738943300000000, 0.0143059200000000 ] - [ -0.0013492200000000, -0.0000625500000000, 0.0008613600000000 ] - [ 0.0013161800000000, 0.0018773200000000, -0.0010465100000000 ] - [ 0.0003105500000000, -0.0003168600000000, -0.0002979400000000 ] - [ -0.0004451700000000, 0.0000297000000000, -0.0002761300000000 ] - [ 0.1164831700000000, -0.0658323700000000, 0.0608390000000000 ] - [ -0.0083415600000000, 0.0016788100000000, -0.0012086200000000 ] - [ 0.0002389400000000, 0.0001517400000000, -0.0001650700000000 ] - [ -0.0002238900000000, 0.0006284700000000, -0.0001542600000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002377800000000, -0.0020234200000000, -0.0015199600000000 ] - [ -0.0004496500000000, 0.0022532500000000, 0.0002502500000000 ] - [ 0.0020939500000000, -0.0006853900000000, 0.0011851900000000 ] - [ -0.0019592800000000, 0.0009350800000000, 0.0005392100000000 ] - [ -0.0042025400000000, -0.0008741500000000, -0.0003709700000000 ] - [ 0.0046811800000000, -0.0008988500000000, -0.0007367800000000 ] - [ -0.0046299300000000, -0.0013389400000000, 0.0000517400000000 ] - [ 0.0078198000000000, 0.0103064400000000, 0.0084460600000000 ] - [ 0.0012031000000000, -0.0021562000000000, 0.0000483300000000 ] - [ -0.0010284300000000, 0.0015915300000000, 0.0004259600000000 ] - [ 0.0008695600000000, 0.0015230700000000, 0.0004734700000000 ] - [ -0.0009730800000000, -0.0014077900000000, -0.0007406700000000 ] - [ -0.0116564700000000, 0.0256042200000000, 0.0103101900000000 ] - [ -0.0129236900000000, -0.0121211000000000, 0.0004798800000000 ] - [ 0.0103192000000000, -0.0055814000000000, -0.0089877600000000 ] - [ -0.0049714300000000, 0.0004828700000000, 0.0006380900000000 ] - [ 0.0001097700000000, -0.0000911100000000, 0.0000785000000000 ] - [ -0.0002701300000000, -0.0004482000000000, -0.0000974000000000 ] - [ -0.0008484700000000, 0.0002547300000000, -0.0000652100000000 ] - [ 0.0009716900000000, 0.0012351600000000, 0.0002684400000000 ] - [ 0.0004858100000000, -0.0004862400000000, 0.0002870800000000 ] - [ -0.0006496600000000, -0.0003079600000000, 0.0002349200000000 ] - [ -0.0098453500000000, -0.0062946000000000, -0.0259862300000000 ] - [ -0.0099391000000000, -0.0023783900000000, 0.0091165100000000 ] - [ 0.3113863000000000, -0.0039811400000000, -0.0144847200000000 ] - [ -0.0105684000000000, 0.0004624900000000, -0.0010902000000000 ] - [ -0.0004564200000000, -0.0000450500000000, -0.0000887800000000 ] - [ 0.0005214400000000, -0.0001256900000000, 0.0001028600000000 ] - [ -0.0056966600000000, -0.0048995500000000, 0.0089663400000000 ] - [ -0.0056907000000000, 0.0002015300000000, -0.0076098700000000 ] - [ 0.0024779500000000, 0.0014622500000000, -0.0008888100000000 ] - [ -0.0015128000000000, -0.0000374900000000, -0.0005318600000000 ] - [ 0.0005755100000000, -0.0003608300000000, -0.0002852200000000 ] - [ -0.0003676000000000, -0.0002520300000000, -0.0001555100000000 ] - [ -0.0044692600000000, 0.0011669900000000, -0.0008935300000000 ] - [ 0.0089169400000000, -0.0007563900000000, 0.0010830400000000 ] - [ -0.0000620400000000, -0.0001766100000000, 0.0003927400000000 ] - [ -0.0000590100000000, 0.0008848000000000, 0.0001263800000000 ] - [ 0.0027533700000000, 0.0007282900000000, -0.0009868900000000 ] - [ -0.0016008300000000, 0.0004652900000000, 0.0000314400000000 ] - [ 0.0000896500000000, -0.0010923800000000, 0.0001656400000000 ] - [ -0.0001208500000000, 0.0005291500000000, -0.0002019400000000 ] - [ -0.0019069000000000, 0.0035977300000000, 0.0022929900000000 ] - [ 0.0022201200000000, -0.0008769500000000, -0.0006038600000000 ] - [ -0.0006370700000000, 0.0006858900000000, 0.0002568800000000 ] - [ 0.0004195100000000, -0.0000638300000000, -0.0000361300000000 ] - [ 0.0007426900000000, 0.0003713100000000, -0.0001623200000000 ] - [ -0.0007210100000000, -0.0003293200000000, 0.0001263400000000 ] - [ -0.0026579900000000, 0.0001865200000000, 0.0020581000000000 ] - [ 0.0015737100000000, -0.0001241100000000, 0.0002660200000000 ] - [ -0.0003295100000000, -0.0003432300000000, -0.0000069000000000 ] - [ 0.0002364300000000, -0.0004431000000000, -0.0001752100000000 ] - [ 0.0002046800000000, -0.0001338300000000, -0.0080957000000000 ] - [ 0.0036572300000000, 0.0011236300000000, 0.0009003700000000 ] - [ -0.0048627600000000, 0.0020018300000000, 0.0005627000000000 ] - [ 0.0029570200000000, -0.0001938200000000, -0.0006074300000000 ] - [ -0.0017737400000000, 0.0008476100000000, -0.0034776200000000 ] - [ 0.0025436400000000, -0.0002622600000000, 0.0033711200000000 ] - [ 0.0053231000000000, 0.0002756300000000, -0.0014916500000000 ] - [ -0.0964674400000000, 0.0107791700000000, 0.0972573300000000 ] - [ 0.0003630000000000, 0.0001077900000000, 0.0001641400000000 ] - [ -0.0003120500000000, 0.0003669700000000, 0.0003883900000000 ] - [ -0.0049497300000000, -0.0015766700000000, 0.0025750300000000 ] - [ 0.0022937500000000, 0.0019643800000000, 0.0002978900000000 ] - [ -0.0000926600000000, -0.0000600900000000, 0.0004733300000000 ] - [ 0.0000862500000000, -0.0006797700000000, 0.0000854300000000 ] - [ -0.0008048300000000, -0.0001392100000000, 0.0000978900000000 ] - [ 0.0002629500000000, 0.0001825900000000, -0.0002046300000000 ] - [ 0.0036033900000000, -0.0017116700000000, -0.0027350200000000 ] - [ -0.0005678800000000, -0.0005720500000000, 0.0046416900000000 ] - [ -0.0049502100000000, -0.0011308900000000, -0.0026110500000000 ] - [ 0.0023165300000000, 0.0012714900000000, 0.0011877800000000 ] - [ -0.0000960700000000, -0.0005198600000000, -0.0002513300000000 ] - [ -0.0005493500000000, 0.0006175100000000, -0.0002061400000000 ] - [ 0.0009175100000000, 0.0007017300000000, 0.0003582900000000 ] - [ 0.0011976000000000, -0.0019358000000000, -0.0011398300000000 ] - [ 0.0055271100000000, -0.0030178400000000, 0.0026486400000000 ] - [ -0.0024462500000000, 0.0059370000000000, -0.0056054800000000 ] - [ -0.0000937100000000, -0.0004897600000000, 0.0000677000000000 ] - [ 0.0006783000000000, 0.0007561900000000, 0.0009515100000000 ] - [ -0.0000730300000000, -0.0003527800000000, 0.0000290400000000 ] - [ 0.0000260600000000, -0.0001874200000000, 0.0002862900000000 ] - [ 0.0035545900000000, -0.0033333200000000, -0.0040093400000000 ] - [ 0.0000423100000000, 0.0044056600000000, 0.0008125300000000 ] - [ -0.0028907000000000, -0.0011442300000000, -0.0001343300000000 ] - [ 0.0015664800000000, -0.0004626400000000, -0.0002236900000000 ] - [ -0.0003533700000000, -0.0019721400000000, 0.0020787400000000 ] - [ 0.0000690000000000, 0.0012441800000000, -0.0001044600000000 ] - [ -0.0003082700000000, -0.0003890900000000, 0.0005419000000000 ] - [ 0.0003974700000000, -0.0001250300000000, 0.0003276000000000 ] - [ 0.0003642400000000, -0.0002420600000000, -0.0003562900000000 ] - [ -0.0001855900000000, -0.0004990600000000, -0.0004738400000000 ] - [ 0.0040620500000000, 0.0038653500000000, 0.0029721800000000 ] - [ 0.0006249500000000, -0.0001794000000000, -0.0034810000000000 ] - [ -0.0002763700000000, 0.0005109900000000, -0.0003194300000000 ] - [ 0.0002464800000000, -0.0000066700000000, -0.0002513300000000 ] - [ -0.0045976100000000, -0.0026367100000000, 0.0017175300000000 ] - [ 0.0019477800000000, 0.0000147900000000, -0.0017237900000000 ] - [ 0.0001384600000000, 0.0004672600000000, -0.0005926100000000 ] - [ -0.0002724000000000, -0.0000179100000000, -0.0003624500000000 ] - [ -0.0012579000000000, 0.0006276200000000, -0.0001951700000000 ] - [ 0.0007067600000000, 0.0000742800000000, 0.0008158800000000 ] - [ 0.0055074700000000, 0.0013977100000000, 0.0001731500000000 ] - [ -0.0801654600000000, -0.0774749200000000, -0.0150346000000000 ] - [ 0.0013609600000000, 0.0006017000000000, -0.0005221800000000 ] - [ -0.0012939700000000, -0.0013243300000000, 0.0013764300000000 ] - [ -0.0003614800000000, -0.0003199700000000, -0.0001240000000000 ] - [ 0.0003912400000000, -0.0006666300000000, -0.0001454900000000 ] - [ -0.1107337400000000, 0.0613482100000000, -0.0562104600000000 ] - [ 0.0082059400000000, -0.0021521800000000, 0.0020577100000000 ] - [ -0.0001840600000000, 0.0004834800000000, -0.0002565600000000 ] - [ 0.0002751500000000, 0.0000081000000000, -0.0002671600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011080200000000, 0.0045389000000000, 0.0020585500000000 ] - [ -0.0008441600000000, 0.0028525000000000, 0.0008990200000000 ] - [ 0.0003349700000000, 0.0054896200000000, 0.0001657000000000 ] - [ 0.0000778800000000, 0.0021955900000000, -0.0000713800000000 ] - [ -0.0002473500000000, -0.0029354700000000, 0.0016763600000000 ] - [ 0.0006672800000000, -0.0061235500000000, 0.0037543800000000 ] - [ 0.0006397600000000, -0.0019443700000000, 0.0015000800000000 ] - [ -0.0007676100000000, 0.0108901400000000, 0.0158401600000000 ] - [ 0.0010952800000000, -0.0017267400000000, 0.0021437000000000 ] - [ -0.0016555300000000, -0.0010792000000000, 0.0022772100000000 ] - [ -0.0013352000000000, 0.0029190300000000, 0.0003933700000000 ] - [ 0.0005062600000000, 0.0029626400000000, 0.0004799300000000 ] - [ -0.0125769500000000, 0.0103597400000000, 0.0002192700000000 ] - [ 0.0129387900000000, 0.0108437500000000, -0.0024453800000000 ] - [ -0.0027857800000000, 0.0125496900000000, 0.0152337500000000 ] - [ 0.0006770500000000, 0.0008247600000000, 0.0008751200000000 ] - [ 0.0002168500000000, 0.0027962800000000, -0.0009042400000000 ] - [ -0.0004045800000000, 0.0026183100000000, -0.0004974400000000 ] - [ 0.0000835500000000, 0.0014673300000000, 0.0004505400000000 ] - [ 0.0001367300000000, 0.0024332000000000, 0.0008409800000000 ] - [ 0.0002587700000000, 0.0024284000000000, -0.0001915100000000 ] - [ -0.0000194400000000, 0.0016049800000000, 0.0002026800000000 ] - [ -0.0002778400000000, -0.0084915000000000, -0.0057359600000000 ] - [ -0.0092206500000000, -0.0089631900000000, 0.0041564500000000 ] - [ 0.0082030200000000, -0.3089329000000000, -0.0186647700000000 ] - [ -0.0008265100000000, -0.0031731000000000, -0.0021127900000000 ] - [ 0.0003252300000000, 0.0010435900000000, -0.0003561500000000 ] - [ 0.0002429200000000, 0.0015914000000000, -0.0004797200000000 ] - [ -0.0006021900000000, -0.0082980100000000, 0.0021368300000000 ] - [ 0.0045603200000000, -0.0082810400000000, 0.0059704700000000 ] - [ -0.0010908200000000, 0.0005736000000000, 0.0002154400000000 ] - [ 0.0004034500000000, -0.0003502400000000, 0.0007487200000000 ] - [ 0.0000080000000000, 0.0011797000000000, 0.0005824700000000 ] - [ 0.0001161400000000, 0.0009797500000000, 0.0005795000000000 ] - [ -0.0008055800000000, -0.0002248600000000, -0.0009684500000000 ] - [ 0.0011290800000000, 0.0010819300000000, -0.0062261600000000 ] - [ 0.0005170600000000, 0.0010304200000000, -0.0003790000000000 ] - [ -0.0005499600000000, 0.0010291500000000, -0.0003279000000000 ] - [ 0.0003564000000000, 0.0056849700000000, -0.0016271400000000 ] - [ 0.0000972600000000, 0.0018031800000000, -0.0016529300000000 ] - [ 0.0003227700000000, -0.0009375800000000, 0.0002158100000000 ] - [ -0.0002762800000000, -0.0011952800000000, 0.0002053600000000 ] - [ -0.0031389200000000, -0.0007008100000000, -0.0034926100000000 ] - [ 0.0017083700000000, -0.0002718200000000, -0.0003647600000000 ] - [ 0.0001406200000000, -0.0014897600000000, -0.0004465100000000 ] - [ -0.0000667300000000, -0.0005764800000000, -0.0001674200000000 ] - [ -0.0000610600000000, 0.0005879100000000, -0.0002546600000000 ] - [ 0.0002949800000000, 0.0005397900000000, 0.0001459600000000 ] - [ 0.0011798400000000, 0.0008896000000000, -0.0015754100000000 ] - [ -0.0002307600000000, 0.0005448200000000, -0.0000674600000000 ] - [ -0.0001990300000000, -0.0016207900000000, 0.0007217000000000 ] - [ -0.0002416200000000, -0.0011750400000000, 0.0005131200000000 ] - [ 0.0047029000000000, 0.0075465000000000, -0.0041492900000000 ] - [ -0.0035555500000000, 0.0015714900000000, -0.0025281100000000 ] - [ -0.0017553800000000, 0.0036022800000000, -0.0029377600000000 ] - [ 0.0016703100000000, 0.0009000600000000, -0.0015811400000000 ] - [ -0.0010225300000000, 0.0018705700000000, -0.0020997400000000 ] - [ -0.0012634800000000, 0.0013771400000000, -0.0031311600000000 ] - [ 0.0002410100000000, 0.0019453800000000, 0.0017157700000000 ] - [ -0.0132816400000000, 0.0397885700000000, 0.0220551700000000 ] - [ 0.0004757000000000, -0.0009879200000000, 0.0007025800000000 ] - [ 0.0013930400000000, -0.0025973700000000, 0.0010634500000000 ] - [ -0.0001255100000000, 0.0027575800000000, 0.0018858000000000 ] - [ 0.0015159600000000, 0.0023299900000000, 0.0001418800000000 ] - [ 0.0002789700000000, -0.0015755700000000, -0.0003486000000000 ] - [ 0.0004480000000000, -0.0015559600000000, -0.0002013400000000 ] - [ -0.0000862300000000, -0.0022214600000000, 0.0001055400000000 ] - [ -0.0003670900000000, -0.0015462900000000, 0.0002296800000000 ] - [ 0.0010045100000000, 0.0010743900000000, -0.0013596800000000 ] - [ -0.0015275700000000, 0.0037251200000000, -0.0064688500000000 ] - [ 0.0016341200000000, -0.0044200500000000, -0.0006769200000000 ] - [ -0.0018021500000000, -0.0020932200000000, -0.0013328100000000 ] - [ -0.0002282500000000, -0.0015789500000000, 0.0001051400000000 ] - [ -0.0005692400000000, -0.0021881500000000, -0.0001793400000000 ] - [ -0.0004557400000000, -0.0004139100000000, -0.0015095800000000 ] - [ 0.0017971500000000, -0.0019568300000000, -0.0017046900000000 ] - [ 0.0009932800000000, 0.0001642200000000, 0.0007036500000000 ] - [ -0.0020892100000000, 0.0025910600000000, 0.0039055300000000 ] - [ 0.0002194700000000, 0.0000361600000000, 0.0001167600000000 ] - [ -0.0011016900000000, 0.0000288100000000, -0.0011626200000000 ] - [ -0.0001596700000000, -0.0012035400000000, -0.0006355600000000 ] - [ -0.0002850400000000, -0.0011471300000000, -0.0006040500000000 ] - [ 0.0004626800000000, -0.0010931800000000, -0.0005212700000000 ] - [ -0.0011249200000000, -0.0029924800000000, 0.0004210900000000 ] - [ -0.0004453100000000, -0.0015337000000000, -0.0021934100000000 ] - [ 0.0007118100000000, -0.0004886000000000, -0.0005333400000000 ] - [ 0.0007216700000000, 0.0008725600000000, 0.0002159400000000 ] - [ -0.0000442300000000, 0.0021434300000000, -0.0005036000000000 ] - [ -0.0002180900000000, -0.0012075300000000, 0.0002869400000000 ] - [ -0.0001442200000000, -0.0009413400000000, 0.0003263800000000 ] - [ -0.0004841200000000, -0.0014258200000000, -0.0003921500000000 ] - [ -0.0002036300000000, -0.0015161600000000, -0.0004965700000000 ] - [ 0.0005858000000000, 0.0032933700000000, -0.0003340800000000 ] - [ 0.0019033200000000, 0.0012977100000000, -0.0059844600000000 ] - [ -0.0002124500000000, 0.0000583900000000, -0.0002581700000000 ] - [ 0.0002443300000000, 0.0000777700000000, -0.0001596100000000 ] - [ -0.0002988500000000, -0.0027918400000000, 0.0033934000000000 ] - [ -0.0008421800000000, 0.0001963800000000, 0.0006787700000000 ] - [ -0.0005638800000000, -0.0003382900000000, -0.0001459100000000 ] - [ -0.0001657700000000, -0.0003618600000000, -0.0003050600000000 ] - [ -0.0013228500000000, -0.0020510700000000, 0.0000100400000000 ] - [ -0.0004277600000000, -0.0008609300000000, 0.0006887500000000 ] - [ 0.0019803100000000, 0.0013093500000000, 0.0005921300000000 ] - [ 0.0796719100000000, 0.1565535200000000, 0.0312764700000000 ] - [ -0.0011197600000000, -0.0007441800000000, 0.0010837100000000 ] - [ 0.0001268000000000, -0.0024536100000000, 0.0004674100000000 ] - [ 0.0005109300000000, -0.0017558400000000, -0.0001104600000000 ] - [ 0.0003999700000000, -0.0012939100000000, -0.0001275800000000 ] - [ -0.0667306100000000, 0.0814272300000000, -0.0460624000000000 ] - [ -0.0002974500000000, 0.0021874500000000, 0.0026178000000000 ] - [ 0.0000587900000000, -0.0005973700000000, -0.0000297400000000 ] - [ 0.0004471900000000, -0.0006353000000000, -0.0002135900000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009633900000000, -0.0036097600000000, -0.0017834900000000 ] - [ 0.0009806600000000, -0.0019617800000000, -0.0006391100000000 ] - [ -0.0004346200000000, -0.0055340800000000, 0.0004151100000000 ] - [ -0.0001944400000000, -0.0021881100000000, 0.0006572800000000 ] - [ 0.0003909700000000, 0.0020314000000000, -0.0019359300000000 ] - [ -0.0005321100000000, 0.0052425200000000, -0.0040261800000000 ] - [ -0.0004920700000000, 0.0019222700000000, -0.0020697100000000 ] - [ 0.0008124500000000, -0.0110205800000000, -0.0164115600000000 ] - [ -0.0009881900000000, 0.0017036700000000, -0.0015557900000000 ] - [ 0.0017776200000000, 0.0010540700000000, -0.0017079900000000 ] - [ 0.0012323600000000, -0.0029163000000000, -0.0009802200000000 ] - [ -0.0006365000000000, -0.0029712200000000, -0.0010757100000000 ] - [ 0.0125871200000000, -0.0094175000000000, -0.0004566700000000 ] - [ -0.0132473700000000, -0.0099702300000000, 0.0021683500000000 ] - [ 0.0026602500000000, -0.0116702800000000, -0.0151554200000000 ] - [ -0.0008300000000000, 0.0001083400000000, -0.0006253400000000 ] - [ -0.0003518400000000, -0.0037039900000000, 0.0006505800000000 ] - [ 0.0002553600000000, -0.0035338900000000, 0.0002456300000000 ] - [ 0.0000621400000000, -0.0005674800000000, -0.0007044600000000 ] - [ -0.0000001000000000, -0.0015372900000000, -0.0010960600000000 ] - [ -0.0003980300000000, -0.0033439000000000, 0.0004355900000000 ] - [ -0.0001217200000000, -0.0025182800000000, 0.0000481200000000 ] - [ 0.0003707400000000, 0.0075499500000000, 0.0059305100000000 ] - [ 0.0094589900000000, 0.0081287900000000, -0.0039533300000000 ] - [ -0.0050919900000000, 0.3164452200000000, 0.0200421300000000 ] - [ 0.0007230300000000, 0.0025324000000000, 0.0017594200000000 ] - [ -0.0002192000000000, -0.0016794800000000, 0.0007122800000000 ] - [ -0.0001407000000000, -0.0022305700000000, 0.0008377500000000 ] - [ 0.0004399000000000, 0.0076579700000000, -0.0017250600000000 ] - [ -0.0046502700000000, 0.0076746800000000, -0.0055987600000000 ] - [ 0.0012016100000000, 0.0000718800000000, -0.0005716200000000 ] - [ -0.0003036200000000, 0.0009992700000000, -0.0011098500000000 ] - [ 0.0000955600000000, -0.0018151500000000, -0.0009359000000000 ] - [ -0.0000138000000000, -0.0016179400000000, -0.0009354900000000 ] - [ 0.0009005400000000, 0.0008685600000000, 0.0013338900000000 ] - [ -0.0010308600000000, -0.0004256000000000, 0.0066845000000000 ] - [ -0.0006199000000000, -0.0004021400000000, 0.0007232200000000 ] - [ 0.0004423800000000, -0.0004032600000000, 0.0006741500000000 ] - [ -0.0004708600000000, -0.0050354700000000, 0.0012749300000000 ] - [ -0.0001910500000000, -0.0011734000000000, 0.0012934200000000 ] - [ -0.0004257500000000, 0.0009338600000000, -0.0002397200000000 ] - [ 0.0001830900000000, 0.0011982200000000, -0.0002293700000000 ] - [ 0.0032212400000000, 0.0006890500000000, 0.0034676000000000 ] - [ -0.0016179100000000, 0.0002865600000000, 0.0003827200000000 ] - [ -0.0002418500000000, 0.0014898800000000, 0.0004735100000000 ] - [ -0.0000284300000000, 0.0005742300000000, 0.0001932100000000 ] - [ 0.0001596100000000, -0.0005834600000000, 0.0002317000000000 ] - [ -0.0001948000000000, -0.0005350900000000, -0.0001626800000000 ] - [ -0.0010230400000000, -0.0004158600000000, 0.0024303700000000 ] - [ 0.0003980900000000, -0.0000702800000000, 0.0009194800000000 ] - [ 0.0001804000000000, 0.0010786700000000, -0.0010606100000000 ] - [ 0.0002242200000000, 0.0006298300000000, -0.0008491200000000 ] - [ -0.0046113800000000, -0.0083006900000000, 0.0036870900000000 ] - [ 0.0035989400000000, -0.0022204200000000, 0.0021113900000000 ] - [ 0.0023519800000000, -0.0033670500000000, 0.0031212400000000 ] - [ -0.0011020700000000, -0.0006648300000000, 0.0017587400000000 ] - [ 0.0010423300000000, -0.0024132200000000, 0.0017558000000000 ] - [ 0.0012772600000000, -0.0019251300000000, 0.0027899500000000 ] - [ -0.0002208100000000, -0.0024775800000000, -0.0013751700000000 ] - [ 0.0129444100000000, -0.0406195100000000, -0.0212896900000000 ] - [ -0.0004253300000000, 0.0016258500000000, -0.0002798400000000 ] - [ -0.0013349100000000, 0.0032267900000000, -0.0006409600000000 ] - [ 0.0000573500000000, -0.0021744900000000, -0.0023173300000000 ] - [ -0.0015789300000000, -0.0017079500000000, -0.0005636100000000 ] - [ -0.0003331000000000, 0.0009399300000000, 0.0007687900000000 ] - [ -0.0005013100000000, 0.0009241600000000, 0.0006245700000000 ] - [ -0.0005041500000000, 0.0024453400000000, 0.0000659000000000 ] - [ -0.0002130900000000, 0.0017664300000000, -0.0000635900000000 ] - [ -0.0011559200000000, -0.0015644300000000, 0.0005018100000000 ] - [ 0.0013727800000000, -0.0042247900000000, 0.0056366500000000 ] - [ -0.0022547700000000, 0.0042143100000000, 0.0008574100000000 ] - [ 0.0012344000000000, 0.0018727100000000, 0.0015075100000000 ] - [ -0.0003593000000000, 0.0017957600000000, -0.0002724200000000 ] - [ -0.0000134600000000, 0.0024179200000000, 0.0000148000000000 ] - [ 0.0010337200000000, 0.0002023700000000, 0.0013300600000000 ] - [ -0.0012145300000000, 0.0017567800000000, 0.0015401000000000 ] - [ -0.0008161100000000, 0.0002962700000000, -0.0015483400000000 ] - [ 0.0022865900000000, -0.0021314600000000, -0.0048021500000000 ] - [ -0.0002372000000000, 0.0005009100000000, 0.0002215700000000 ] - [ 0.0010890100000000, 0.0005087500000000, 0.0015109500000000 ] - [ 0.0001408900000000, 0.0006586300000000, 0.0009722900000000 ] - [ 0.0002669900000000, 0.0006048700000000, 0.0009447800000000 ] - [ -0.0010473200000000, 0.0008636200000000, 0.0003536100000000 ] - [ 0.0005715400000000, 0.0028155500000000, -0.0005455200000000 ] - [ 0.0010479900000000, 0.0013304100000000, 0.0023547400000000 ] - [ -0.0001315800000000, 0.0002825800000000, 0.0007000600000000 ] - [ -0.0007787500000000, -0.0002483300000000, 0.0002109800000000 ] - [ -0.0000076900000000, -0.0015276700000000, 0.0009292200000000 ] - [ 0.0003817900000000, 0.0007294500000000, 0.0005637400000000 ] - [ 0.0003080700000000, 0.0004624800000000, 0.0005237500000000 ] - [ 0.0006449600000000, 0.0009438000000000, -0.0004600200000000 ] - [ 0.0003695600000000, 0.0010381400000000, -0.0003561600000000 ] - [ 0.0000095700000000, -0.0030519300000000, 0.0001699700000000 ] - [ -0.0013296700000000, -0.0010590600000000, 0.0058932500000000 ] - [ 0.0002339100000000, 0.0004922200000000, -0.0000703800000000 ] - [ -0.0002238000000000, 0.0004743400000000, -0.0001680600000000 ] - [ 0.0002807300000000, 0.0033743000000000, -0.0037879900000000 ] - [ 0.0008315400000000, 0.0003418400000000, -0.0010250800000000 ] - [ 0.0004000700000000, 0.0008209000000000, -0.0007015800000000 ] - [ 0.0000063000000000, 0.0008482100000000, -0.0005435400000000 ] - [ 0.0011590500000000, 0.0025245300000000, 0.0008400000000000 ] - [ 0.0002614500000000, 0.0013458200000000, 0.0001597900000000 ] - [ -0.0019220700000000, -0.0019537800000000, -0.0001759700000000 ] - [ -0.0847219900000000, -0.1640454200000000, -0.0341722500000000 ] - [ 0.0011215800000000, 0.0012873900000000, -0.0007428700000000 ] - [ -0.0000984100000000, 0.0029983200000000, -0.0001489900000000 ] - [ -0.0005635300000000, 0.0011232400000000, -0.0003147100000000 ] - [ -0.0004543500000000, 0.0006610400000000, -0.0002953600000000 ] - [ 0.0688065100000000, -0.0826900900000000, 0.0482259200000000 ] - [ 0.0001259500000000, -0.0026828300000000, -0.0017812900000000 ] - [ -0.0000105000000000, 0.0012394600000000, -0.0003883600000000 ] - [ -0.0003951400000000, 0.0012763100000000, -0.0002054600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008089600000000, 0.0028079300000000, 0.0009959500000000 ] - [ -0.0003450700000000, 0.0026070100000000, 0.0007829900000000 ] - [ -0.0012904700000000, 0.0023710000000000, -0.0022214400000000 ] - [ 0.0008381700000000, 0.0011224600000000, -0.0006744600000000 ] - [ 0.0003775500000000, -0.0017853700000000, 0.0039214100000000 ] - [ -0.0013091300000000, -0.0026329600000000, 0.0092314900000000 ] - [ -0.0004094900000000, -0.0003010900000000, 0.0018355000000000 ] - [ -0.0001911900000000, 0.0157515100000000, 0.0168669600000000 ] - [ 0.0009515900000000, -0.0009109900000000, 0.0040705400000000 ] - [ -0.0005604200000000, -0.0014597300000000, 0.0041301400000000 ] - [ -0.0009699200000000, 0.0014588000000000, -0.0001913300000000 ] - [ 0.0008191900000000, 0.0026699500000000, 0.0007320000000000 ] - [ -0.0010819000000000, -0.0037229000000000, -0.0097487100000000 ] - [ 0.0113053100000000, 0.0064099700000000, -0.0070933700000000 ] - [ -0.0020532200000000, 0.0149535300000000, 0.0138485900000000 ] - [ 0.0012181500000000, 0.0023759000000000, -0.0004243300000000 ] - [ -0.0002116500000000, 0.0007496600000000, -0.0009563800000000 ] - [ -0.0000099200000000, 0.0010281000000000, -0.0010133500000000 ] - [ 0.0000387300000000, 0.0008316900000000, 0.0009391100000000 ] - [ -0.0001104800000000, 0.0011928000000000, 0.0019008700000000 ] - [ -0.0000674600000000, 0.0006554600000000, 0.0000197000000000 ] - [ 0.0001667900000000, 0.0004035100000000, -0.0000403500000000 ] - [ 0.0126112300000000, -0.0036892300000000, 0.0127768000000000 ] - [ -0.0103678800000000, -0.0041027100000000, 0.0095596800000000 ] - [ 0.0136663500000000, -0.0200111200000000, -0.3390393600000000 ] - [ 0.0008516100000000, -0.0022551200000000, -0.0034764200000000 ] - [ 0.0003169900000000, 0.0002183500000000, 0.0000584500000000 ] - [ 0.0001255800000000, 0.0003427900000000, -0.0000983400000000 ] - [ -0.0078030900000000, -0.0060663400000000, 0.0067623200000000 ] - [ 0.0087538100000000, -0.0022613100000000, 0.0068160000000000 ] - [ -0.0006542800000000, -0.0000793100000000, 0.0022516100000000 ] - [ -0.0003071100000000, -0.0006185000000000, 0.0021339000000000 ] - [ -0.0000567100000000, 0.0004424100000000, 0.0004754800000000 ] - [ 0.0000724400000000, 0.0004416300000000, 0.0006046700000000 ] - [ 0.0011196400000000, -0.0008395900000000, 0.0000443600000000 ] - [ -0.0008605300000000, -0.0061832600000000, 0.0002488000000000 ] - [ -0.0001019200000000, -0.0001794200000000, -0.0001248700000000 ] - [ 0.0001649800000000, -0.0002297100000000, -0.0001242100000000 ] - [ 0.0007597200000000, 0.0017635600000000, -0.0033101600000000 ] - [ -0.0002640000000000, 0.0017904000000000, -0.0017025100000000 ] - [ -0.0001654800000000, 0.0000736100000000, 0.0002061200000000 ] - [ 0.0001458700000000, -0.0003689500000000, 0.0007719800000000 ] - [ -0.0012846400000000, -0.0017937700000000, 0.0008835500000000 ] - [ 0.0032797200000000, -0.0017329800000000, -0.0002264700000000 ] - [ 0.0002527300000000, -0.0009332000000000, -0.0003944700000000 ] - [ -0.0002759000000000, -0.0003579000000000, -0.0002153300000000 ] - [ -0.0000278800000000, 0.0006590800000000, -0.0007004400000000 ] - [ 0.0000177900000000, 0.0008696400000000, -0.0015666700000000 ] - [ 0.0012139700000000, 0.0001385700000000, -0.0028058100000000 ] - [ 0.0002685800000000, -0.0000370600000000, -0.0006024900000000 ] - [ -0.0000704600000000, -0.0007808700000000, 0.0004053900000000 ] - [ -0.0001680700000000, -0.0006767500000000, 0.0002355000000000 ] - [ 0.0087917700000000, 0.0011681500000000, -0.0015128400000000 ] - [ -0.0037074500000000, -0.0016505000000000, -0.0008768000000000 ] - [ -0.0011742700000000, 0.0004032400000000, -0.0063285500000000 ] - [ 0.0015335400000000, 0.0001023700000000, -0.0027007000000000 ] - [ -0.0003659100000000, 0.0013139000000000, -0.0040210900000000 ] - [ -0.0024777600000000, 0.0006743700000000, -0.0048416700000000 ] - [ -0.0019542500000000, 0.0001418100000000, 0.0015805200000000 ] - [ -0.1059458700000000, 0.0243258200000000, 0.1894046900000000 ] - [ 0.0004606500000000, -0.0006382000000000, 0.0007147100000000 ] - [ 0.0004073200000000, -0.0007309600000000, 0.0010516800000000 ] - [ 0.0001408700000000, 0.0044311000000000, -0.0035333000000000 ] - [ 0.0008448200000000, 0.0012169700000000, -0.0005941900000000 ] - [ 0.0001192200000000, -0.0010386000000000, -0.0002423700000000 ] - [ 0.0002816900000000, -0.0011915400000000, -0.0002664500000000 ] - [ -0.0000900500000000, -0.0008641900000000, 0.0003067500000000 ] - [ -0.0005376300000000, -0.0008679000000000, 0.0005358900000000 ] - [ 0.0033309500000000, -0.0009445500000000, -0.0030830400000000 ] - [ -0.0024647600000000, 0.0004595600000000, -0.0055773600000000 ] - [ 0.0025636600000000, -0.0028895800000000, 0.0022462700000000 ] - [ -0.0020492500000000, -0.0022263500000000, -0.0010905300000000 ] - [ -0.0003377000000000, -0.0005958000000000, 0.0002228800000000 ] - [ -0.0002719800000000, -0.0013784100000000, 0.0002586900000000 ] - [ 0.0000076400000000, -0.0004116600000000, -0.0010971300000000 ] - [ 0.0022085000000000, -0.0022048000000000, -0.0027978000000000 ] - [ -0.0011505400000000, 0.0016804500000000, -0.0007112200000000 ] - [ 0.0017801500000000, 0.0046513700000000, 0.0022055800000000 ] - [ -0.0002357100000000, -0.0001444000000000, -0.0008679400000000 ] - [ -0.0011177000000000, -0.0000385700000000, -0.0016837900000000 ] - [ -0.0001503900000000, -0.0007164800000000, -0.0003291900000000 ] - [ -0.0001992000000000, -0.0008541200000000, -0.0005509700000000 ] - [ -0.0014949800000000, 0.0000978200000000, 0.0020350300000000 ] - [ -0.0016354400000000, -0.0067104800000000, -0.0010120000000000 ] - [ -0.0016753600000000, -0.0025045900000000, -0.0024348500000000 ] - [ 0.0005727600000000, -0.0003504700000000, -0.0011152500000000 ] - [ 0.0000137500000000, 0.0016520400000000, -0.0015168700000000 ] - [ 0.0006760400000000, 0.0018266400000000, -0.0018798400000000 ] - [ 0.0000104800000000, -0.0006950800000000, 0.0001643100000000 ] - [ 0.0000000200000000, -0.0005409200000000, 0.0002434500000000 ] - [ -0.0001895200000000, -0.0007845000000000, -0.0004052600000000 ] - [ -0.0000204900000000, -0.0008677000000000, -0.0003433600000000 ] - [ -0.0004572300000000, 0.0007041300000000, -0.0019513600000000 ] - [ 0.0012426500000000, 0.0012214500000000, -0.0038079000000000 ] - [ 0.0001025000000000, 0.0004431400000000, -0.0005560900000000 ] - [ -0.0000372800000000, 0.0004274700000000, -0.0004421400000000 ] - [ 0.0001817800000000, 0.0021842700000000, 0.0023621100000000 ] - [ -0.0013300900000000, 0.0005218000000000, 0.0014230200000000 ] - [ -0.0000102000000000, 0.0003176500000000, -0.0004749600000000 ] - [ -0.0000333200000000, 0.0003575400000000, -0.0005599200000000 ] - [ -0.0002565000000000, -0.0006579200000000, 0.0010365700000000 ] - [ -0.0002899300000000, -0.0007309100000000, 0.0008605500000000 ] - [ -0.0000146100000000, 0.0010383900000000, 0.0022937100000000 ] - [ 0.0155579300000000, 0.0306006300000000, 0.0421067500000000 ] - [ -0.0004619300000000, -0.0006061300000000, 0.0008322600000000 ] - [ -0.0005466200000000, -0.0021615300000000, 0.0019939000000000 ] - [ 0.0002348900000000, -0.0010047900000000, -0.0002288100000000 ] - [ 0.0001921000000000, -0.0007595300000000, -0.0002987300000000 ] - [ 0.0620475700000000, -0.0468481600000000, 0.0760194200000000 ] - [ 0.0003487600000000, 0.0019830900000000, 0.0031328600000000 ] - [ -0.0000041400000000, 0.0002566400000000, -0.0000152300000000 ] - [ -0.0000911900000000, 0.0002883000000000, -0.0000406200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006653400000000, -0.0019050600000000, -0.0007542200000000 ] - [ 0.0004818400000000, -0.0016874100000000, -0.0005386900000000 ] - [ 0.0011649200000000, -0.0023474600000000, 0.0027837300000000 ] - [ -0.0009468700000000, -0.0011097700000000, 0.0012492300000000 ] - [ -0.0002309900000000, 0.0008687100000000, -0.0041896700000000 ] - [ 0.0014499600000000, 0.0017020300000000, -0.0094523000000000 ] - [ 0.0005080300000000, 0.0003038100000000, -0.0024314500000000 ] - [ 0.0002919900000000, -0.0155579800000000, -0.0173529100000000 ] - [ -0.0008240600000000, 0.0009344100000000, -0.0035000900000000 ] - [ 0.0006527300000000, 0.0014788900000000, -0.0035474600000000 ] - [ 0.0008537200000000, -0.0014565100000000, -0.0003768200000000 ] - [ -0.0009222800000000, -0.0026541700000000, -0.0012931400000000 ] - [ 0.0008845600000000, 0.0046879500000000, 0.0095684900000000 ] - [ -0.0113273800000000, -0.0054394600000000, 0.0067836300000000 ] - [ 0.0018334000000000, -0.0141206700000000, -0.0134911200000000 ] - [ -0.0013414800000000, -0.0014907500000000, 0.0007026100000000 ] - [ 0.0000702700000000, -0.0016526700000000, 0.0007021200000000 ] - [ -0.0001287400000000, -0.0019289300000000, 0.0007563700000000 ] - [ 0.0001000700000000, 0.0000853900000000, -0.0011947400000000 ] - [ 0.0002558500000000, -0.0002668400000000, -0.0021528300000000 ] - [ -0.0000747300000000, -0.0015546700000000, 0.0002409900000000 ] - [ -0.0003072800000000, -0.0013044300000000, 0.0002992100000000 ] - [ -0.0123204900000000, 0.0027422200000000, -0.0125600400000000 ] - [ 0.0103755100000000, 0.0031849600000000, -0.0092809000000000 ] - [ -0.0085192300000000, 0.0187004900000000, 0.3297588100000000 ] - [ -0.0009586900000000, 0.0016175400000000, 0.0031337200000000 ] - [ -0.0002139000000000, -0.0008502200000000, 0.0002903200000000 ] - [ -0.0000209200000000, -0.0009745200000000, 0.0004465000000000 ] - [ 0.0077774900000000, 0.0055044700000000, -0.0064461300000000 ] - [ -0.0088879300000000, 0.0016010500000000, -0.0063918900000000 ] - [ 0.0007681000000000, 0.0007074100000000, -0.0026058700000000 ] - [ 0.0004058400000000, 0.0012396600000000, -0.0024773900000000 ] - [ 0.0001620800000000, -0.0010756500000000, -0.0008275600000000 ] - [ 0.0000319400000000, -0.0010728500000000, -0.0009542800000000 ] - [ -0.0010252500000000, 0.0014621500000000, 0.0002988900000000 ] - [ 0.0009625200000000, 0.0067270800000000, 0.0000699300000000 ] - [ -0.0000004100000000, 0.0008223900000000, 0.0004851700000000 ] - [ -0.0002691100000000, 0.0008723100000000, 0.0004859900000000 ] - [ -0.0008577500000000, -0.0011390200000000, 0.0029502000000000 ] - [ 0.0001588300000000, -0.0011560700000000, 0.0013505700000000 ] - [ 0.0000664500000000, -0.0000761800000000, -0.0002277200000000 ] - [ -0.0002419600000000, 0.0003662100000000, -0.0007880500000000 ] - [ 0.0013961200000000, 0.0018098300000000, -0.0008074100000000 ] - [ -0.0031759200000000, 0.0017327800000000, 0.0002467300000000 ] - [ -0.0003493300000000, 0.0009308800000000, 0.0004126300000000 ] - [ 0.0001754200000000, 0.0003580200000000, 0.0002339400000000 ] - [ 0.0001244400000000, -0.0006636200000000, 0.0006782700000000 ] - [ 0.0000831900000000, -0.0008789400000000, 0.0015441100000000 ] - [ -0.0010473500000000, 0.0003574600000000, 0.0036443600000000 ] - [ -0.0001028400000000, 0.0005213400000000, 0.0014492200000000 ] - [ 0.0000483400000000, 0.0002312000000000, -0.0007330100000000 ] - [ 0.0001465900000000, 0.0001280100000000, -0.0005650000000000 ] - [ -0.0087947200000000, -0.0018198600000000, 0.0010837100000000 ] - [ 0.0037484700000000, 0.0010443700000000, 0.0004250000000000 ] - [ 0.0017245200000000, -0.0001944000000000, 0.0064676300000000 ] - [ -0.0009362500000000, 0.0001150100000000, 0.0028723100000000 ] - [ 0.0003781200000000, -0.0018671000000000, 0.0036951900000000 ] - [ 0.0024982800000000, -0.0012159500000000, 0.0044933200000000 ] - [ 0.0019840400000000, -0.0006799900000000, -0.0012424600000000 ] - [ 0.0995575400000000, -0.0220865200000000, -0.1808273200000000 ] - [ -0.0004067100000000, 0.0012713800000000, -0.0002935600000000 ] - [ -0.0003553500000000, 0.0013653000000000, -0.0006284500000000 ] - [ -0.0002018400000000, -0.0037328900000000, 0.0030892700000000 ] - [ -0.0008886000000000, -0.0005673900000000, 0.0001794000000000 ] - [ -0.0001719900000000, 0.0004017200000000, 0.0006658700000000 ] - [ -0.0003327700000000, 0.0005498700000000, 0.0006872800000000 ] - [ -0.0004935700000000, 0.0010765100000000, -0.0001427600000000 ] - [ -0.0000495500000000, 0.0010790700000000, -0.0003694000000000 ] - [ -0.0035289100000000, 0.0004728300000000, 0.0022483200000000 ] - [ 0.0023367000000000, -0.0009310100000000, 0.0047116400000000 ] - [ -0.0031421100000000, 0.0026615500000000, -0.0020986800000000 ] - [ 0.0014452500000000, 0.0019977000000000, 0.0012333400000000 ] - [ -0.0002482600000000, 0.0008099100000000, -0.0003912200000000 ] - [ -0.0003137700000000, 0.0015852200000000, -0.0004264700000000 ] - [ 0.0005780700000000, 0.0001892000000000, 0.0009419700000000 ] - [ -0.0016121400000000, 0.0019638700000000, 0.0026275900000000 ] - [ 0.0013314700000000, -0.0012087300000000, -0.0001188200000000 ] - [ -0.0015881100000000, -0.0041264300000000, -0.0030298100000000 ] - [ 0.0002115800000000, 0.0006981300000000, 0.0011982300000000 ] - [ 0.0010923300000000, 0.0005917600000000, 0.0020035100000000 ] - [ 0.0001291400000000, 0.0001682300000000, 0.0006599300000000 ] - [ 0.0001777200000000, 0.0003041000000000, 0.0008791800000000 ] - [ 0.0009221000000000, -0.0003224700000000, -0.0022214300000000 ] - [ 0.0010444400000000, 0.0064120900000000, 0.0008142300000000 ] - [ 0.0022514000000000, 0.0022736500000000, 0.0026069700000000 ] - [ 0.0000188400000000, 0.0001255800000000, 0.0012872700000000 ] - [ -0.0000708200000000, -0.0010172200000000, 0.0019458600000000 ] - [ -0.0007152100000000, -0.0011754900000000, 0.0022976300000000 ] - [ 0.0001535700000000, 0.0002116500000000, 0.0006829700000000 ] - [ 0.0001652600000000, 0.0000595700000000, 0.0006046900000000 ] - [ 0.0003557100000000, 0.0003040100000000, -0.0004436500000000 ] - [ 0.0001852500000000, 0.0003851400000000, -0.0005050500000000 ] - [ 0.0010400600000000, -0.0004865000000000, 0.0017954100000000 ] - [ -0.0006196000000000, -0.0010229500000000, 0.0035959500000000 ] - [ -0.0000844500000000, 0.0000970300000000, 0.0002163100000000 ] - [ 0.0000565900000000, 0.0001124900000000, 0.0001011700000000 ] - [ -0.0002180100000000, -0.0016396200000000, -0.0026491400000000 ] - [ 0.0013017800000000, 0.0000228300000000, -0.0017460500000000 ] - [ -0.0001564200000000, 0.0001573800000000, -0.0003756700000000 ] - [ -0.0001318100000000, 0.0001173200000000, -0.0002930300000000 ] - [ 0.0000909500000000, 0.0011381200000000, -0.0001850100000000 ] - [ 0.0001269200000000, 0.0012096100000000, -0.0000088300000000 ] - [ 0.0000709700000000, -0.0016733000000000, -0.0018859000000000 ] - [ -0.0162657000000000, -0.0322797700000000, -0.0417534200000000 ] - [ 0.0004834600000000, 0.0011524500000000, -0.0005002400000000 ] - [ 0.0005636500000000, 0.0027000900000000, -0.0016492900000000 ] - [ -0.0002881900000000, 0.0003649700000000, -0.0001905000000000 ] - [ -0.0002428800000000, 0.0001194600000000, -0.0001214100000000 ] - [ -0.0603235200000000, 0.0451590600000000, -0.0745724300000000 ] - [ -0.0005199700000000, -0.0024499700000000, -0.0022705600000000 ] - [ 0.0000598300000000, 0.0003743100000000, -0.0004103800000000 ] - [ 0.0001472000000000, 0.0003402000000000, -0.0003852800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011764700000000, 0.0005644400000000, -0.0000142800000000 ] - [ -0.0011219900000000, 0.0004232700000000, 0.0003818600000000 ] - [ -0.0078044800000000, 0.0000000000000000, -0.0031480500000000 ] - [ 0.0163259100000000, 0.0000000000000000, -0.0051839600000000 ] - [ 0.0003753600000000, -0.0008580200000000, -0.0006261700000000 ] - [ -0.0001901000000000, -0.0001255900000000, 0.0001697300000000 ] - [ 0.0001547500000000, 0.0000000000000000, -0.0003098900000000 ] - [ -0.0000071000000000, 0.0000000000000000, -0.0001709900000000 ] - [ 0.0002406100000000, 0.0000000000000000, 0.0002330700000000 ] - [ -0.0001468200000000, 0.0000000000000000, 0.0002527200000000 ] - [ 0.0028616900000000, 0.0000000000000000, -0.0019398200000000 ] - [ -0.0022513100000000, 0.0000000000000000, 0.0001747600000000 ] - [ 0.0043166800000000, 0.0032101000000000, -0.0005405600000000 ] - [ -0.0028306700000000, -0.0003748800000000, -0.0006149300000000 ] - [ -0.0009155900000000, 0.0013783200000000, -0.0007006000000000 ] - [ 0.0004926500000000, -0.0007723500000000, 0.0011099100000000 ] - [ 0.0043166800000000, -0.0032101000000000, -0.0005405600000000 ] - [ -0.0028306700000000, 0.0003748800000000, -0.0006149300000000 ] - [ 0.0003753600000000, 0.0008580200000000, -0.0006261700000000 ] - [ -0.0001901000000000, 0.0001255900000000, 0.0001697300000000 ] - [ -0.0009155900000000, -0.0013783200000000, -0.0007006000000000 ] - [ 0.0004926500000000, 0.0007723500000000, 0.0011099100000000 ] - [ 0.0011764700000000, -0.0005644400000000, -0.0000142800000000 ] - [ -0.0011219900000000, -0.0004232700000000, 0.0003818600000000 ] - [ -0.0001924600000000, 0.0000548900000000, -0.0002943700000000 ] - [ 0.0000238600000000, -0.0005490600000000, 0.0000173300000000 ] - [ 0.0020430800000000, 0.0028522400000000, -0.0011550400000000 ] - [ -0.0021232400000000, -0.0019853400000000, 0.0033964000000000 ] - [ 0.0005411300000000, -0.0001254700000000, -0.0001243800000000 ] - [ -0.0005205100000000, -0.0003388000000000, 0.0004038500000000 ] - [ 0.0008198400000000, 0.0005657900000000, -0.0001439400000000 ] - [ -0.0006418700000000, 0.0002081200000000, -0.0001013000000000 ] - [ 0.0008198400000000, -0.0005657900000000, -0.0001439400000000 ] - [ -0.0006418700000000, -0.0002081200000000, -0.0001013000000000 ] - [ 0.0020430800000000, -0.0028522400000000, -0.0011550400000000 ] - [ -0.0021232400000000, 0.0019853400000000, 0.0033964000000000 ] - [ 0.0005411300000000, 0.0001254700000000, -0.0001243800000000 ] - [ -0.0005205100000000, 0.0003388000000000, 0.0004038500000000 ] - [ -0.0001924600000000, -0.0000548900000000, -0.0002943700000000 ] - [ 0.0000238600000000, 0.0005490600000000, 0.0000173300000000 ] - [ -0.0425793300000000, 0.0000000000000000, 0.0168892300000000 ] - [ 0.0012160900000000, 0.0000000000000000, 0.0001208400000000 ] - [ -0.0000298700000000, 0.0000000000000000, -0.0000399600000000 ] - [ 0.0001336800000000, 0.0000000000000000, 0.0000263400000000 ] - [ -0.0000193700000000, 0.0000000000000000, 0.0001696200000000 ] - [ -0.0000226600000000, 0.0000000000000000, -0.0001273300000000 ] - [ -0.0000106200000000, 0.0000000000000000, 0.0000335000000000 ] - [ 0.0001166500000000, 0.0000000000000000, -0.0000256600000000 ] - [ -0.0001720600000000, 0.0002212000000000, 0.0005214500000000 ] - [ 0.0003681500000000, 0.0002340700000000, 0.0003072900000000 ] - [ 0.0075381000000000, 0.0058317800000000, -0.0038652000000000 ] - [ 0.0032507100000000, -0.0037571300000000, 0.0006118400000000 ] - [ -0.0002463200000000, -0.0009778400000000, 0.0002920700000000 ] - [ 0.0004110600000000, 0.0001913400000000, -0.0003388100000000 ] - [ 0.0001252500000000, 0.0000085300000000, 0.0001296500000000 ] - [ 0.0004630200000000, 0.0003217100000000, 0.0001016800000000 ] - [ -0.0000498100000000, -0.0003716800000000, -0.0000609600000000 ] - [ 0.0000824000000000, -0.0002349200000000, -0.0001681100000000 ] - [ -0.0000470800000000, -0.0001207700000000, 0.0001682000000000 ] - [ 0.0001270900000000, -0.0004382800000000, 0.0000643100000000 ] - [ -0.0005047500000000, 0.0002395400000000, 0.0001582000000000 ] - [ 0.0003167100000000, 0.0004741600000000, 0.0002765700000000 ] - [ -0.0005344500000000, -0.0007923200000000, -0.0009952500000000 ] - [ 0.0008790900000000, 0.0021100800000000, 0.0001758600000000 ] - [ -0.0005315600000000, -0.0001592300000000, 0.0004031600000000 ] - [ 0.0004078900000000, -0.0004619800000000, 0.0000374200000000 ] - [ 0.0005987400000000, 0.0025151000000000, 0.0039124600000000 ] - [ 0.0023493500000000, -0.0036391400000000, -0.0021784600000000 ] - [ -0.0005190000000000, 0.0000609300000000, -0.0002914800000000 ] - [ 0.0003475800000000, -0.0006053500000000, -0.0004892100000000 ] - [ 0.0005987400000000, -0.0025151000000000, 0.0039124600000000 ] - [ 0.0023493500000000, 0.0036391400000000, -0.0021784600000000 ] - [ -0.0026116200000000, -0.0021626600000000, -0.0036691600000000 ] - [ 0.0015702200000000, 0.0010019000000000, 0.0005991100000000 ] - [ 0.0001015500000000, -0.0001664200000000, -0.0000876700000000 ] - [ 0.0004793400000000, -0.0000811700000000, -0.0000669500000000 ] - [ -0.0022764400000000, 0.0023717300000000, -0.0010109700000000 ] - [ 0.0028049600000000, -0.0010312100000000, -0.0000327200000000 ] - [ -0.0004450700000000, 0.0002191000000000, -0.0000785900000000 ] - [ 0.0003619200000000, 0.0003776100000000, 0.0002434900000000 ] - [ -0.0004450700000000, -0.0002191000000000, -0.0000785900000000 ] - [ 0.0003619200000000, -0.0003776100000000, 0.0002434900000000 ] - [ -0.0026116200000000, 0.0021626600000000, -0.0036691600000000 ] - [ 0.0015702200000000, -0.0010019000000000, 0.0005991100000000 ] - [ 0.0001252500000000, -0.0000085300000000, 0.0001296500000000 ] - [ 0.0004630200000000, -0.0003217100000000, 0.0001016800000000 ] - [ -0.0005315600000000, 0.0001592300000000, 0.0004031600000000 ] - [ 0.0004078900000000, 0.0004619800000000, 0.0000374200000000 ] - [ -0.0001720600000000, -0.0002212000000000, 0.0005214500000000 ] - [ 0.0003681500000000, -0.0002340700000000, 0.0003072900000000 ] - [ -0.0022764400000000, -0.0023717300000000, -0.0010109700000000 ] - [ 0.0028049600000000, 0.0010312100000000, -0.0000327200000000 ] - [ 0.0001015500000000, 0.0001664200000000, -0.0000876700000000 ] - [ 0.0004793400000000, 0.0000811700000000, -0.0000669500000000 ] - [ -0.0000498100000000, 0.0003716800000000, -0.0000609600000000 ] - [ 0.0000824000000000, 0.0002349200000000, -0.0001681100000000 ] - [ 0.0075381000000000, -0.0058317800000000, -0.0038652000000000 ] - [ 0.0032507100000000, 0.0037571300000000, 0.0006118400000000 ] - [ -0.0005190000000000, -0.0000609300000000, -0.0002914800000000 ] - [ 0.0003475800000000, 0.0006053500000000, -0.0004892100000000 ] - [ -0.0000611400000000, 0.0006422600000000, 0.0003365700000000 ] - [ 0.0000745900000000, -0.0000497200000000, 0.0003535200000000 ] - [ -0.0005047500000000, -0.0002395400000000, 0.0001582000000000 ] - [ 0.0003167100000000, -0.0004741600000000, 0.0002765700000000 ] - [ -0.0000470800000000, 0.0001207700000000, 0.0001682000000000 ] - [ 0.0001270900000000, 0.0004382800000000, 0.0000643100000000 ] - [ -0.0005344500000000, 0.0007923200000000, -0.0009952500000000 ] - [ 0.0008790900000000, -0.0021100800000000, 0.0001758600000000 ] - [ -0.0000611400000000, -0.0006422600000000, 0.0003365700000000 ] - [ 0.0000745900000000, 0.0000497200000000, 0.0003535200000000 ] - [ -0.0002463200000000, 0.0009778400000000, 0.0002920700000000 ] - [ 0.0004110600000000, -0.0001913400000000, -0.0003388100000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010404500000000, 0.0003388900000000, 0.0002724400000000 ] - [ 0.0012662300000000, 0.0004908600000000, -0.0001304300000000 ] - [ 0.0076505800000000, 0.0000000000000000, 0.0037230900000000 ] - [ -0.0156350100000000, 0.0000000000000000, 0.0052066000000000 ] - [ -0.0002304800000000, -0.0000503400000000, 0.0003717300000000 ] - [ 0.0003299200000000, -0.0007841000000000, -0.0004261400000000 ] - [ -0.0000406500000000, 0.0000000000000000, -0.0002663000000000 ] - [ 0.0001183800000000, 0.0000000000000000, -0.0004054600000000 ] - [ -0.0001283800000000, 0.0000000000000000, 0.0003426000000000 ] - [ 0.0002600400000000, 0.0000000000000000, 0.0003240700000000 ] - [ -0.0029895900000000, 0.0000000000000000, 0.0013387700000000 ] - [ 0.0021356700000000, 0.0000000000000000, -0.0007393700000000 ] - [ -0.0044809300000000, -0.0022568200000000, 0.0002603000000000 ] - [ 0.0026872300000000, 0.0012720700000000, 0.0003615900000000 ] - [ 0.0007655700000000, -0.0004750100000000, 0.0009587600000000 ] - [ -0.0006154800000000, 0.0016799300000000, -0.0008569800000000 ] - [ -0.0044809300000000, 0.0022568200000000, 0.0002603000000000 ] - [ 0.0026872300000000, -0.0012720700000000, 0.0003615900000000 ] - [ -0.0002304800000000, 0.0000503400000000, 0.0003717300000000 ] - [ 0.0003299200000000, 0.0007841000000000, -0.0004261400000000 ] - [ 0.0007655700000000, 0.0004750100000000, 0.0009587600000000 ] - [ -0.0006154800000000, -0.0016799300000000, -0.0008569800000000 ] - [ -0.0010404500000000, -0.0003388900000000, 0.0002724400000000 ] - [ 0.0012662300000000, -0.0004908600000000, -0.0001304300000000 ] - [ 0.0000824200000000, -0.0006920100000000, -0.0000612400000000 ] - [ -0.0001205700000000, -0.0000867300000000, -0.0003692500000000 ] - [ -0.0018897000000000, -0.0035055200000000, 0.0015250800000000 ] - [ 0.0022202500000000, 0.0013431900000000, -0.0030611400000000 ] - [ -0.0006403200000000, -0.0005060200000000, 0.0004761400000000 ] - [ 0.0004167900000000, -0.0002984200000000, -0.0000486400000000 ] - [ -0.0007199700000000, 0.0000748200000000, -0.0002078600000000 ] - [ 0.0007491700000000, 0.0004268700000000, -0.0002526700000000 ] - [ -0.0007199700000000, -0.0000748200000000, -0.0002078600000000 ] - [ 0.0007491700000000, -0.0004268700000000, -0.0002526700000000 ] - [ -0.0018897000000000, 0.0035055200000000, 0.0015250800000000 ] - [ 0.0022202500000000, -0.0013431900000000, -0.0030611400000000 ] - [ -0.0006403200000000, 0.0005060200000000, 0.0004761400000000 ] - [ 0.0004167900000000, 0.0002984200000000, -0.0000486400000000 ] - [ 0.0000824200000000, 0.0006920100000000, -0.0000612400000000 ] - [ -0.0001205700000000, 0.0000867300000000, -0.0003692500000000 ] - [ 0.0418628900000000, 0.0000000000000000, -0.0163279100000000 ] - [ -0.0013159200000000, 0.0000000000000000, -0.0001399900000000 ] - [ 0.0001304400000000, 0.0000000000000000, 0.0000613100000000 ] - [ -0.0000342900000000, 0.0000000000000000, -0.0000053800000000 ] - [ -0.0000772600000000, 0.0000000000000000, -0.0001488000000000 ] - [ -0.0000806100000000, 0.0000000000000000, 0.0001478700000000 ] - [ 0.0001102800000000, 0.0000000000000000, -0.0000546300000000 ] - [ -0.0000161400000000, 0.0000000000000000, 0.0000044700000000 ] - [ 0.0003336800000000, 0.0002594300000000, 0.0003300000000000 ] - [ -0.0002138500000000, 0.0002501400000000, 0.0005487700000000 ] - [ -0.0076534900000000, -0.0064957100000000, 0.0035577400000000 ] - [ -0.0032200100000000, 0.0031626800000000, -0.0009427100000000 ] - [ 0.0002990100000000, 0.0003319300000000, -0.0007048000000000 ] - [ -0.0003612200000000, -0.0008258700000000, -0.0000840300000000 ] - [ 0.0004626600000000, 0.0002108000000000, 0.0000375100000000 ] - [ 0.0001212100000000, -0.0001020000000000, 0.0000667700000000 ] - [ 0.0000679800000000, -0.0001742600000000, -0.0002715200000000 ] - [ -0.0000657500000000, -0.0003089100000000, -0.0001672600000000 ] - [ 0.0000629000000000, -0.0004251500000000, 0.0001670100000000 ] - [ -0.0001081900000000, -0.0001054800000000, 0.0002689400000000 ] - [ 0.0005498700000000, 0.0004032100000000, 0.0002617700000000 ] - [ -0.0002616600000000, 0.0001594500000000, 0.0001439200000000 ] - [ 0.0004908100000000, 0.0014374500000000, 0.0005816200000000 ] - [ -0.0009306900000000, -0.0014690000000000, -0.0005974500000000 ] - [ 0.0004807300000000, -0.0004777700000000, 0.0000168500000000 ] - [ -0.0004590400000000, -0.0001767400000000, 0.0003838800000000 ] - [ -0.0011698200000000, -0.0023112300000000, -0.0037617800000000 ] - [ -0.0029220100000000, 0.0038160900000000, 0.0023238400000000 ] - [ 0.0003602900000000, -0.0005430700000000, -0.0005610200000000 ] - [ -0.0005035300000000, 0.0001226000000000, -0.0003651400000000 ] - [ -0.0011698200000000, 0.0023112300000000, -0.0037617800000000 ] - [ -0.0029220100000000, -0.0038160900000000, 0.0023238400000000 ] - [ 0.0019821600000000, 0.0023950000000000, 0.0035403500000000 ] - [ -0.0021588300000000, -0.0007981100000000, -0.0007765900000000 ] - [ 0.0004835200000000, -0.0000523700000000, -0.0000802400000000 ] - [ 0.0001070500000000, -0.0001388300000000, -0.0001002400000000 ] - [ 0.0024094100000000, -0.0019144900000000, 0.0001413300000000 ] - [ -0.0026641900000000, 0.0015226600000000, -0.0008167900000000 ] - [ 0.0004289600000000, 0.0003241400000000, 0.0004149700000000 ] - [ -0.0003789600000000, 0.0001681800000000, 0.0000880000000000 ] - [ 0.0004289600000000, -0.0003241400000000, 0.0004149700000000 ] - [ -0.0003789600000000, -0.0001681800000000, 0.0000880000000000 ] - [ 0.0019821600000000, -0.0023950000000000, 0.0035403500000000 ] - [ -0.0021588300000000, 0.0007981100000000, -0.0007765900000000 ] - [ 0.0004626600000000, -0.0002108000000000, 0.0000375100000000 ] - [ 0.0001212100000000, 0.0001020000000000, 0.0000667700000000 ] - [ 0.0004807300000000, 0.0004777700000000, 0.0000168500000000 ] - [ -0.0004590400000000, 0.0001767400000000, 0.0003838800000000 ] - [ 0.0003336800000000, -0.0002594300000000, 0.0003300000000000 ] - [ -0.0002138500000000, -0.0002501400000000, 0.0005487700000000 ] - [ 0.0024094100000000, 0.0019144900000000, 0.0001413300000000 ] - [ -0.0026641900000000, -0.0015226600000000, -0.0008167900000000 ] - [ 0.0004835200000000, 0.0000523700000000, -0.0000802400000000 ] - [ 0.0001070500000000, 0.0001388300000000, -0.0001002400000000 ] - [ 0.0000679800000000, 0.0001742600000000, -0.0002715200000000 ] - [ -0.0000657500000000, 0.0003089100000000, -0.0001672600000000 ] - [ -0.0076534900000000, 0.0064957100000000, 0.0035577400000000 ] - [ -0.0032200100000000, -0.0031626800000000, -0.0009427100000000 ] - [ 0.0003602900000000, 0.0005430700000000, -0.0005610200000000 ] - [ -0.0005035300000000, -0.0001226000000000, -0.0003651400000000 ] - [ -0.0000873800000000, -0.0001526800000000, 0.0005158800000000 ] - [ -0.0002365200000000, 0.0005272700000000, 0.0004982500000000 ] - [ 0.0005498700000000, -0.0004032100000000, 0.0002617700000000 ] - [ -0.0002616600000000, -0.0001594500000000, 0.0001439200000000 ] - [ 0.0000629000000000, 0.0004251500000000, 0.0001670100000000 ] - [ -0.0001081900000000, 0.0001054800000000, 0.0002689400000000 ] - [ 0.0004908100000000, -0.0014374500000000, 0.0005816200000000 ] - [ -0.0009306900000000, 0.0014690000000000, -0.0005974500000000 ] - [ -0.0000873800000000, 0.0001526800000000, 0.0005158800000000 ] - [ -0.0002365200000000, -0.0005272700000000, 0.0004982500000000 ] - [ 0.0002990100000000, -0.0003319300000000, -0.0007048000000000 ] - [ -0.0003612200000000, 0.0008258700000000, -0.0000840300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009386900000000, -0.0023734400000000, 0.0015617300000000 ] - [ 0.0006557700000000, -0.0011029400000000, 0.0005407800000000 ] - [ -0.0000714500000000, 0.0043883500000000, 0.0002759700000000 ] - [ -0.0000742200000000, 0.0091151900000000, 0.0002909000000000 ] - [ 0.0000207400000000, -0.0016741300000000, -0.0006890000000000 ] - [ 0.0004114000000000, -0.0012906000000000, -0.0002617900000000 ] - [ 0.0000545700000000, -0.0020297500000000, -0.0002880800000000 ] - [ 0.0000568500000000, -0.0017317300000000, -0.0002880100000000 ] - [ 0.0000554900000000, -0.0018281000000000, 0.0002876000000000 ] - [ 0.0000557500000000, -0.0013883200000000, 0.0002868100000000 ] - [ -0.0000586300000000, 0.0047445300000000, -0.0002988500000000 ] - [ -0.0000525600000000, 0.0015104100000000, -0.0002901200000000 ] - [ 0.0027990500000000, -0.0006435700000000, 0.0034219800000000 ] - [ -0.0006349900000000, 0.0011850200000000, 0.0010753900000000 ] - [ 0.0007965500000000, 0.0008134000000000, 0.0005904000000000 ] - [ -0.0014564200000000, 0.0006045800000000, 0.0010013900000000 ] - [ -0.0029716400000000, -0.0018786400000000, -0.0038117000000000 ] - [ 0.0004965500000000, 0.0002644800000000, -0.0013225200000000 ] - [ 0.0001189900000000, -0.0007687500000000, 0.0004351000000000 ] - [ -0.0002665900000000, -0.0003870600000000, 0.0000088400000000 ] - [ -0.0009340200000000, -0.0001058200000000, -0.0003374400000000 ] - [ 0.0013103000000000, -0.0003186700000000, -0.0007533200000000 ] - [ 0.0010893100000000, -0.0032862400000000, -0.0013211400000000 ] - [ -0.0005141600000000, -0.0020081900000000, -0.0002889900000000 ] - [ 0.0010485700000000, -0.0012540700000000, -0.0001010500000000 ] - [ -0.0005835900000000, -0.0015156000000000, -0.0005453500000000 ] - [ 0.0036725900000000, -0.0010389200000000, 0.0019902900000000 ] - [ -0.0008282500000000, -0.0006018100000000, 0.0019134900000000 ] - [ -0.0007452600000000, -0.0018124700000000, 0.0011138500000000 ] - [ 0.0000138500000000, -0.0008925700000000, 0.0005353200000000 ] - [ 0.0003804500000000, 0.0008606900000000, -0.0010512100000000 ] - [ -0.0003223800000000, 0.0009058400000000, -0.0008401900000000 ] - [ -0.0002789600000000, 0.0002146000000000, 0.0006979100000000 ] - [ 0.0004233700000000, 0.0002656600000000, 0.0004825200000000 ] - [ -0.0035629800000000, -0.0003514700000000, -0.0016135300000000 ] - [ 0.0009168200000000, 0.0000440500000000, -0.0015525400000000 ] - [ 0.0006323400000000, -0.0011665800000000, -0.0007510200000000 ] - [ -0.0001146800000000, -0.0002572600000000, -0.0001809200000000 ] - [ -0.0011388700000000, -0.0006164400000000, -0.0002510600000000 ] - [ 0.0004756500000000, -0.0008773700000000, 0.0001897300000000 ] - [ 0.0000005700000000, -0.0349199800000000, 0.0000854200000000 ] - [ -0.0000509000000000, -0.0008353100000000, -0.0000086900000000 ] - [ 0.0000505400000000, 0.0007122600000000, 0.0000087100000000 ] - [ 0.0000506100000000, 0.0005943600000000, 0.0000086100000000 ] - [ -0.0000502400000000, -0.0006277400000000, 0.0000084900000000 ] - [ -0.0000506300000000, -0.0006276900000000, 0.0000087800000000 ] - [ 0.0000511000000000, 0.0005405100000000, -0.0000087000000000 ] - [ 0.0000500700000000, 0.0004443200000000, -0.0000082800000000 ] - [ -0.0002105400000000, 0.0002290600000000, 0.0006138300000000 ] - [ 0.0003523400000000, 0.0000291000000000, 0.0004501800000000 ] - [ 0.0059863200000000, 0.0017864100000000, -0.0021491200000000 ] - [ -0.0034100600000000, 0.0001335000000000, 0.0009343100000000 ] - [ -0.0000800800000000, 0.0015580500000000, -0.0021127200000000 ] - [ 0.0003288400000000, -0.0000553500000000, -0.0003396000000000 ] - [ -0.0000377300000000, 0.0012530700000000, 0.0004146300000000 ] - [ 0.0003370600000000, 0.0012822200000000, 0.0002145700000000 ] - [ -0.0001795600000000, 0.0004567100000000, -0.0009542100000000 ] - [ -0.0000470400000000, 0.0000859800000000, -0.0004438100000000 ] - [ 0.0000861900000000, 0.0006885400000000, 0.0004525200000000 ] - [ -0.0002998600000000, 0.0003149600000000, 0.0006732900000000 ] - [ -0.0011707300000000, 0.0014890400000000, 0.0004419100000000 ] - [ 0.0002170800000000, 0.0003792600000000, 0.0003617700000000 ] - [ -0.0000444800000000, 0.0008092400000000, 0.0002629000000000 ] - [ 0.0014173700000000, 0.0022967700000000, 0.0004777100000000 ] - [ 0.0002568300000000, -0.0003834400000000, -0.0003576200000000 ] - [ -0.0000553400000000, -0.0003405400000000, -0.0000284300000000 ] - [ 0.0017652200000000, -0.0014293600000000, 0.0029172900000000 ] - [ -0.0003561500000000, -0.0014912400000000, -0.0000285500000000 ] - [ 0.0001151100000000, -0.0000535900000000, -0.0006884700000000 ] - [ -0.0002591100000000, 0.0000754200000000, -0.0004976900000000 ] - [ -0.0023550800000000, -0.0016765700000000, -0.0027485200000000 ] - [ -0.0002400600000000, -0.0017330600000000, 0.0002075400000000 ] - [ -0.0033586700000000, -0.0004536400000000, 0.0068585800000000 ] - [ -0.0001282000000000, -0.0008806700000000, -0.0000889800000000 ] - [ 0.0001902500000000, 0.0010324900000000, -0.0003713400000000 ] - [ 0.0002475900000000, 0.0007509700000000, -0.0002739800000000 ] - [ 0.0025946600000000, 0.0094156400000000, 0.0030797700000000 ] - [ -0.0010064400000000, 0.0007762100000000, -0.0004083500000000 ] - [ 0.0000164100000000, -0.0001828900000000, 0.0003825800000000 ] - [ 0.0001056500000000, -0.0000936500000000, 0.0005863800000000 ] - [ -0.0000309900000000, -0.0007230300000000, -0.0000475300000000 ] - [ -0.0001211500000000, -0.0006350100000000, -0.0002503400000000 ] - [ 0.0027839800000000, -0.0007139500000000, -0.0070339900000000 ] - [ -0.0004572000000000, -0.0011075600000000, -0.0000765500000000 ] - [ 0.0006201900000000, 0.0010329900000000, -0.0002435100000000 ] - [ 0.0002497400000000, 0.0010631700000000, -0.0000459300000000 ] - [ -0.0003088100000000, 0.0002493000000000, 0.0007799600000000 ] - [ 0.0000047800000000, 0.0002956900000000, 0.0004492300000000 ] - [ 0.0003640500000000, -0.0002508900000000, 0.0002392300000000 ] - [ -0.0001997600000000, -0.0004526100000000, 0.0004071100000000 ] - [ -0.0023926900000000, 0.0087450500000000, -0.0038716400000000 ] - [ 0.0011569500000000, 0.0002930600000000, -0.0004461400000000 ] - [ 0.0003970000000000, 0.0012523600000000, 0.0002050700000000 ] - [ 0.0003372000000000, 0.0009698500000000, 0.0001067400000000 ] - [ 0.0001945300000000, 0.0009967400000000, 0.0006150500000000 ] - [ 0.0000632600000000, 0.0006302000000000, 0.0001113600000000 ] - [ -0.0060540700000000, 0.0023368400000000, 0.0018180200000000 ] - [ 0.0034183700000000, 0.0006673300000000, -0.0012788200000000 ] - [ -0.0002610200000000, 0.0004347800000000, -0.0001699700000000 ] - [ 0.0001067200000000, 0.0005611500000000, -0.0003578500000000 ] - [ 0.0013491400000000, 0.0019013100000000, 0.0002750300000000 ] - [ -0.0003728100000000, 0.0005860800000000, 0.0004364300000000 ] - [ 0.0012313100000000, 0.0008521200000000, -0.0000246100000000 ] - [ -0.0001716900000000, -0.0002654900000000, 0.0000565200000000 ] - [ -0.0000680400000000, 0.0012292800000000, -0.0001209200000000 ] - [ 0.0003124200000000, 0.0008576800000000, -0.0003377400000000 ] - [ -0.0000070500000000, 0.0001760700000000, -0.0006844600000000 ] - [ -0.0014650800000000, 0.0016591600000000, -0.0008963300000000 ] - [ -0.0015141500000000, 0.0014274900000000, 0.0005860200000000 ] - [ 0.0002247800000000, 0.0000984100000000, 0.0004207000000000 ] - [ 0.0001250200000000, 0.0021788200000000, 0.0016646500000000 ] - [ -0.0002804800000000, 0.0005879600000000, -0.0000796600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007651800000000, 0.0014798300000000, -0.0000264300000000 ] - [ -0.0006944000000000, 0.0009690000000000, 0.0002710200000000 ] - [ -0.0029283700000000, 0.0000000000000000, 0.0021747900000000 ] - [ -0.0093939600000000, 0.0000000000000000, 0.0117526800000000 ] - [ 0.0001878200000000, -0.0007768000000000, -0.0012111000000000 ] - [ 0.0001354900000000, -0.0005060400000000, -0.0005272400000000 ] - [ 0.0001333300000000, 0.0000000000000000, -0.0001271100000000 ] - [ 0.0000808400000000, 0.0000000000000000, -0.0001108500000000 ] - [ 0.0001402700000000, 0.0000000000000000, -0.0000908800000000 ] - [ -0.0000552600000000, 0.0000000000000000, -0.0000539100000000 ] - [ -0.0009773300000000, 0.0000000000000000, -0.0044287400000000 ] - [ 0.0004079900000000, 0.0000000000000000, -0.0009211100000000 ] - [ -0.0000540200000000, 0.0022688200000000, 0.0051267200000000 ] - [ -0.0002507600000000, 0.0009304400000000, 0.0013420600000000 ] - [ -0.0007135100000000, 0.0013110000000000, -0.0007379900000000 ] - [ 0.0008691800000000, 0.0017429000000000, -0.0012458500000000 ] - [ -0.0000540200000000, -0.0022688200000000, 0.0051267200000000 ] - [ -0.0002507600000000, -0.0009304400000000, 0.0013420600000000 ] - [ 0.0001878200000000, 0.0007768000000000, -0.0012111000000000 ] - [ 0.0001354900000000, 0.0005060400000000, -0.0005272400000000 ] - [ -0.0007135100000000, -0.0013110000000000, -0.0007379900000000 ] - [ 0.0008691800000000, -0.0017429000000000, -0.0012458500000000 ] - [ 0.0007651800000000, -0.0014798300000000, -0.0000264300000000 ] - [ -0.0006944000000000, -0.0009690000000000, 0.0002710200000000 ] - [ -0.0002313200000000, -0.0000872500000000, 0.0000406500000000 ] - [ 0.0001388500000000, -0.0000974600000000, 0.0006057500000000 ] - [ -0.0022468500000000, 0.0031784900000000, 0.0010482000000000 ] - [ 0.0006648700000000, 0.0000576800000000, -0.0000527100000000 ] - [ 0.0001962300000000, 0.0001460300000000, -0.0002289900000000 ] - [ -0.0001003300000000, -0.0001351300000000, -0.0000487200000000 ] - [ 0.0001917600000000, 0.0001570400000000, -0.0017378500000000 ] - [ -0.0001012400000000, 0.0005595800000000, -0.0008672900000000 ] - [ 0.0001917600000000, -0.0001570400000000, -0.0017378500000000 ] - [ -0.0001012400000000, -0.0005595800000000, -0.0008672900000000 ] - [ -0.0022468500000000, -0.0031784900000000, 0.0010482000000000 ] - [ 0.0006648700000000, -0.0000576800000000, -0.0000527100000000 ] - [ 0.0001962300000000, -0.0001460300000000, -0.0002289900000000 ] - [ -0.0001003300000000, 0.0001351300000000, -0.0000487200000000 ] - [ -0.0002313200000000, 0.0000872500000000, 0.0000406500000000 ] - [ 0.0001388500000000, 0.0000974600000000, 0.0006057500000000 ] - [ 0.0163625600000000, 0.0000000000000000, -0.0340078900000000 ] - [ 0.0000791100000000, 0.0000000000000000, -0.0003711400000000 ] - [ 0.0000007400000000, 0.0000000000000000, -0.0000767800000000 ] - [ 0.0000672700000000, 0.0000000000000000, -0.0000660800000000 ] - [ 0.0000866200000000, 0.0000000000000000, 0.0004607300000000 ] - [ -0.0002103500000000, 0.0000000000000000, 0.0004603900000000 ] - [ 0.0000072400000000, 0.0000000000000000, 0.0001260600000000 ] - [ 0.0000666900000000, 0.0000000000000000, 0.0000961200000000 ] - [ -0.0002812000000000, 0.0004572800000000, 0.0010553400000000 ] - [ -0.0000794500000000, 0.0001734400000000, 0.0011777300000000 ] - [ -0.0009653900000000, -0.0008567100000000, -0.0016594200000000 ] - [ 0.0016222800000000, -0.0006895200000000, -0.0024321500000000 ] - [ -0.0000434000000000, -0.0011614200000000, 0.0004067000000000 ] - [ -0.0002948400000000, -0.0007221500000000, -0.0002296000000000 ] - [ 0.0001351000000000, 0.0002637200000000, 0.0003121100000000 ] - [ 0.0003600100000000, 0.0004514800000000, 0.0002799400000000 ] - [ 0.0001317300000000, -0.0004483400000000, 0.0002412800000000 ] - [ 0.0001400800000000, -0.0003548100000000, 0.0001003900000000 ] - [ 0.0001968000000000, -0.0001383400000000, -0.0002703600000000 ] - [ 0.0001948600000000, -0.0003246500000000, -0.0000983900000000 ] - [ -0.0004994300000000, 0.0010735200000000, -0.0003106500000000 ] - [ 0.0000498400000000, 0.0004950100000000, 0.0000219300000000 ] - [ -0.0001494800000000, 0.0004378300000000, -0.0001625400000000 ] - [ 0.0014615900000000, 0.0025718600000000, -0.0000615100000000 ] - [ -0.0002710000000000, -0.0003177600000000, 0.0007235100000000 ] - [ -0.0000117900000000, -0.0001687000000000, 0.0004578100000000 ] - [ 0.0020483900000000, 0.0023377400000000, 0.0026900100000000 ] - [ -0.0015374800000000, 0.0017012300000000, 0.0006009400000000 ] - [ -0.0001109600000000, -0.0004427200000000, -0.0001028100000000 ] - [ -0.0000050000000000, -0.0004762500000000, -0.0002518300000000 ] - [ 0.0020483900000000, -0.0023377400000000, 0.0026900100000000 ] - [ -0.0015374800000000, -0.0017012300000000, 0.0006009400000000 ] - [ -0.0040111700000000, 0.0052856100000000, 0.0081962700000000 ] - [ 0.0000906800000000, 0.0004905500000000, -0.0001780500000000 ] - [ 0.0002594300000000, -0.0002805000000000, 0.0000506800000000 ] - [ 0.0003854000000000, -0.0001804100000000, 0.0000398100000000 ] - [ -0.0000180400000000, 0.0040673600000000, -0.0012964800000000 ] - [ -0.0001024800000000, 0.0003870000000000, -0.0006300100000000 ] - [ 0.0004428500000000, 0.0000126500000000, 0.0015228700000000 ] - [ 0.0001710100000000, 0.0001483800000000, 0.0006654200000000 ] - [ 0.0004428500000000, -0.0000126500000000, 0.0015228700000000 ] - [ 0.0001710100000000, -0.0001483800000000, 0.0006654200000000 ] - [ -0.0040111700000000, -0.0052856100000000, 0.0081962700000000 ] - [ 0.0000906800000000, -0.0004905500000000, -0.0001780500000000 ] - [ 0.0001351000000000, -0.0002637200000000, 0.0003121100000000 ] - [ 0.0003600100000000, -0.0004514800000000, 0.0002799400000000 ] - [ -0.0002710000000000, 0.0003177600000000, 0.0007235100000000 ] - [ -0.0000117900000000, 0.0001687000000000, 0.0004578100000000 ] - [ -0.0002812000000000, -0.0004572800000000, 0.0010553400000000 ] - [ -0.0000794500000000, -0.0001734400000000, 0.0011777300000000 ] - [ -0.0000180400000000, -0.0040673600000000, -0.0012964800000000 ] - [ -0.0001024800000000, -0.0003870000000000, -0.0006300100000000 ] - [ 0.0002594300000000, 0.0002805000000000, 0.0000506800000000 ] - [ 0.0003854000000000, 0.0001804100000000, 0.0000398100000000 ] - [ 0.0001317300000000, 0.0004483400000000, 0.0002412800000000 ] - [ 0.0001400800000000, 0.0003548100000000, 0.0001003900000000 ] - [ -0.0009653900000000, 0.0008567100000000, -0.0016594200000000 ] - [ 0.0016222800000000, 0.0006895200000000, -0.0024321500000000 ] - [ -0.0001109600000000, 0.0004427200000000, -0.0001028100000000 ] - [ -0.0000050000000000, 0.0004762500000000, -0.0002518300000000 ] - [ 0.0001606700000000, 0.0006903100000000, -0.0000436000000000 ] - [ -0.0001602600000000, 0.0000942900000000, 0.0000262900000000 ] - [ -0.0004994300000000, -0.0010735200000000, -0.0003106500000000 ] - [ 0.0000498400000000, -0.0004950100000000, 0.0000219300000000 ] - [ 0.0001968000000000, 0.0001383400000000, -0.0002703600000000 ] - [ 0.0001948600000000, 0.0003246500000000, -0.0000983900000000 ] - [ -0.0001494800000000, -0.0004378300000000, -0.0001625400000000 ] - [ 0.0014615900000000, -0.0025718600000000, -0.0000615100000000 ] - [ 0.0001606700000000, -0.0006903100000000, -0.0000436000000000 ] - [ -0.0001602600000000, -0.0000942900000000, 0.0000262900000000 ] - [ -0.0000434000000000, 0.0011614200000000, 0.0004067000000000 ] - [ -0.0002948400000000, 0.0007221500000000, -0.0002296000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006204300000000, -0.0005687000000000, 0.0002840500000000 ] - [ 0.0008279600000000, -0.0000592600000000, -0.0000130000000000 ] - [ 0.0027687100000000, 0.0000000000000000, -0.0016141300000000 ] - [ 0.0096773200000000, 0.0000000000000000, -0.0113037300000000 ] - [ -0.0000455400000000, -0.0001364800000000, 0.0009514100000000 ] - [ 0.0000057800000000, -0.0004041300000000, 0.0002742400000000 ] - [ -0.0000191500000000, 0.0000000000000000, -0.0004479200000000 ] - [ 0.0000317200000000, 0.0000000000000000, -0.0004648100000000 ] - [ -0.0000261800000000, 0.0000000000000000, 0.0006669900000000 ] - [ 0.0001671500000000, 0.0000000000000000, 0.0006299600000000 ] - [ 0.0008609900000000, 0.0000000000000000, 0.0038308500000000 ] - [ -0.0005179900000000, 0.0000000000000000, 0.0003363400000000 ] - [ -0.0001230900000000, -0.0012177200000000, -0.0054305200000000 ] - [ 0.0001111000000000, -0.0000177300000000, -0.0015931300000000 ] - [ 0.0005717700000000, -0.0004005500000000, 0.0009839400000000 ] - [ -0.0010102600000000, -0.0008264800000000, 0.0014870400000000 ] - [ -0.0001230900000000, 0.0012177200000000, -0.0054305200000000 ] - [ 0.0001111000000000, 0.0000177300000000, -0.0015931300000000 ] - [ -0.0000455400000000, 0.0001364800000000, 0.0009514100000000 ] - [ 0.0000057800000000, 0.0004041300000000, 0.0002742400000000 ] - [ 0.0005717700000000, 0.0004005500000000, 0.0009839400000000 ] - [ -0.0010102600000000, 0.0008264800000000, 0.0014870400000000 ] - [ -0.0006204300000000, 0.0005687000000000, 0.0002840500000000 ] - [ 0.0008279600000000, 0.0000592600000000, -0.0000130000000000 ] - [ 0.0001240300000000, -0.0005463100000000, -0.0003942500000000 ] - [ -0.0002426900000000, -0.0005359700000000, -0.0009552300000000 ] - [ 0.0023318300000000, -0.0037844500000000, -0.0006418400000000 ] - [ -0.0005562200000000, -0.0006926900000000, 0.0004206700000000 ] - [ -0.0002961600000000, -0.0007774900000000, 0.0005783900000000 ] - [ -0.0000039700000000, -0.0004994400000000, 0.0004009200000000 ] - [ -0.0000864500000000, 0.0004691800000000, 0.0013711900000000 ] - [ 0.0002013500000000, 0.0000765400000000, 0.0005106600000000 ] - [ -0.0000864500000000, -0.0004691800000000, 0.0013711900000000 ] - [ 0.0002013500000000, -0.0000765400000000, 0.0005106600000000 ] - [ 0.0023318300000000, 0.0037844500000000, -0.0006418400000000 ] - [ -0.0005562200000000, 0.0006926900000000, 0.0004206700000000 ] - [ -0.0002961600000000, 0.0007774900000000, 0.0005783900000000 ] - [ -0.0000039700000000, 0.0004994400000000, 0.0004009200000000 ] - [ 0.0001240300000000, 0.0005463100000000, -0.0003942500000000 ] - [ -0.0002426900000000, 0.0005359700000000, -0.0009552300000000 ] - [ -0.0168468500000000, 0.0000000000000000, 0.0345561800000000 ] - [ -0.0001780100000000, 0.0000000000000000, 0.0003494500000000 ] - [ 0.0000984500000000, 0.0000000000000000, 0.0000969500000000 ] - [ 0.0000319300000000, 0.0000000000000000, 0.0000859700000000 ] - [ -0.0001851000000000, 0.0000000000000000, -0.0004359400000000 ] - [ 0.0001118000000000, 0.0000000000000000, -0.0004362300000000 ] - [ 0.0000918700000000, 0.0000000000000000, -0.0001461200000000 ] - [ 0.0000329300000000, 0.0000000000000000, -0.0001162200000000 ] - [ 0.0004379700000000, 0.0000291900000000, -0.0001977700000000 ] - [ 0.0002435000000000, 0.0003069500000000, -0.0003249700000000 ] - [ 0.0009765500000000, 0.0003307000000000, 0.0012935300000000 ] - [ -0.0016529000000000, 0.0001618400000000, 0.0020682300000000 ] - [ 0.0000957700000000, 0.0005162300000000, -0.0008202800000000 ] - [ 0.0003480000000000, 0.0000850500000000, -0.0001896900000000 ] - [ 0.0004506300000000, -0.0000444600000000, -0.0001452800000000 ] - [ 0.0002268100000000, -0.0002291100000000, -0.0001123000000000 ] - [ -0.0001123600000000, -0.0000969600000000, -0.0005735400000000 ] - [ -0.0001207300000000, -0.0001901100000000, -0.0004334300000000 ] - [ -0.0001773800000000, -0.0004061200000000, 0.0006026800000000 ] - [ -0.0001746000000000, -0.0002204600000000, 0.0004311200000000 ] - [ 0.0005476900000000, -0.0004317300000000, 0.0007315800000000 ] - [ 0.0000029000000000, 0.0001419300000000, 0.0004000500000000 ] - [ 0.0000933500000000, 0.0001953600000000, -0.0002627000000000 ] - [ -0.0014955500000000, -0.0019060900000000, -0.0003634200000000 ] - [ 0.0002184900000000, -0.0003226700000000, -0.0003016400000000 ] - [ -0.0000390200000000, -0.0004682800000000, -0.0000364600000000 ] - [ -0.0026530400000000, -0.0021430200000000, -0.0025452800000000 ] - [ 0.0009396000000000, -0.0014695900000000, -0.0004285500000000 ] - [ -0.0000529700000000, -0.0000376600000000, -0.0007462200000000 ] - [ -0.0001568200000000, -0.0000049200000000, -0.0005993800000000 ] - [ -0.0026530400000000, 0.0021430200000000, -0.0025452800000000 ] - [ 0.0009396000000000, 0.0014695900000000, -0.0004285500000000 ] - [ 0.0034898600000000, -0.0051477000000000, -0.0084622000000000 ] - [ -0.0006760500000000, -0.0002687200000000, 0.0000140400000000 ] - [ 0.0003251100000000, 0.0000600800000000, -0.0002182600000000 ] - [ 0.0002008900000000, -0.0000390800000000, -0.0002067800000000 ] - [ 0.0001723200000000, -0.0035859300000000, 0.0004106900000000 ] - [ 0.0002711500000000, 0.0000902800000000, -0.0002253300000000 ] - [ -0.0004587400000000, 0.0005303800000000, -0.0011780100000000 ] - [ -0.0001884300000000, 0.0003953000000000, -0.0003267500000000 ] - [ -0.0004587400000000, -0.0005303800000000, -0.0011780100000000 ] - [ -0.0001884300000000, -0.0003953000000000, -0.0003267500000000 ] - [ 0.0034898600000000, 0.0051477000000000, -0.0084622000000000 ] - [ -0.0006760500000000, 0.0002687200000000, 0.0000140400000000 ] - [ 0.0004506300000000, 0.0000444600000000, -0.0001452800000000 ] - [ 0.0002268100000000, 0.0002291100000000, -0.0001123000000000 ] - [ 0.0002184900000000, 0.0003226700000000, -0.0003016400000000 ] - [ -0.0000390200000000, 0.0004682800000000, -0.0000364600000000 ] - [ 0.0004379700000000, -0.0000291900000000, -0.0001977700000000 ] - [ 0.0002435000000000, -0.0003069500000000, -0.0003249700000000 ] - [ 0.0001723200000000, 0.0035859300000000, 0.0004106900000000 ] - [ 0.0002711500000000, -0.0000902800000000, -0.0002253300000000 ] - [ 0.0003251100000000, -0.0000600800000000, -0.0002182600000000 ] - [ 0.0002008900000000, 0.0000390800000000, -0.0002067800000000 ] - [ -0.0001123600000000, 0.0000969600000000, -0.0005735400000000 ] - [ -0.0001207300000000, 0.0001901100000000, -0.0004334300000000 ] - [ 0.0009765500000000, -0.0003307000000000, 0.0012935300000000 ] - [ -0.0016529000000000, -0.0001618400000000, 0.0020682300000000 ] - [ -0.0000529700000000, 0.0000376600000000, -0.0007462200000000 ] - [ -0.0001568200000000, 0.0000049200000000, -0.0005993800000000 ] - [ -0.0003189600000000, -0.0002036700000000, 0.0008941200000000 ] - [ -0.0000018400000000, 0.0003878000000000, 0.0008238300000000 ] - [ 0.0005476900000000, 0.0004317300000000, 0.0007315800000000 ] - [ 0.0000029000000000, -0.0001419300000000, 0.0004000500000000 ] - [ -0.0001773800000000, 0.0004061200000000, 0.0006026800000000 ] - [ -0.0001746000000000, 0.0002204600000000, 0.0004311200000000 ] - [ 0.0000933500000000, -0.0001953600000000, -0.0002627000000000 ] - [ -0.0014955500000000, 0.0019060900000000, -0.0003634200000000 ] - [ -0.0003189600000000, 0.0002036700000000, 0.0008941200000000 ] - [ -0.0000018400000000, -0.0003878000000000, 0.0008238300000000 ] - [ 0.0000957700000000, -0.0005162300000000, -0.0008202800000000 ] - [ 0.0003480000000000, -0.0000850500000000, -0.0001896900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005285600000000, 0.0009039100000000, 0.0001786900000000 ] - [ -0.0003428800000000, 0.0010665600000000, -0.0000252100000000 ] - [ 0.0013720600000000, -0.0019057400000000, 0.0011142000000000 ] - [ -0.0012755100000000, 0.0008110700000000, 0.0003389200000000 ] - [ -0.0093966200000000, -0.0066243900000000, -0.0023464900000000 ] - [ 0.0076814400000000, -0.0018562300000000, -0.0064617900000000 ] - [ -0.0008660500000000, -0.0007130900000000, 0.0001683200000000 ] - [ 0.0010945400000000, 0.0018923400000000, -0.0013361100000000 ] - [ 0.0019222900000000, -0.0006191700000000, 0.0004035600000000 ] - [ -0.0018964800000000, 0.0018796200000000, 0.0001219500000000 ] - [ 0.0041606400000000, 0.0069385900000000, -0.0067431900000000 ] - [ -0.0027070900000000, -0.0026486700000000, -0.0007680300000000 ] - [ 0.0026224900000000, 0.0000977600000000, 0.0001445000000000 ] - [ -0.0029293400000000, 0.0002371000000000, 0.0016002400000000 ] - [ 0.0074596300000000, -0.0054535700000000, -0.0021133500000000 ] - [ -0.0085366700000000, -0.0026182300000000, -0.0044225200000000 ] - [ 0.0004068000000000, 0.0003631400000000, -0.0002568400000000 ] - [ -0.0005402600000000, -0.0004396800000000, -0.0000563100000000 ] - [ -0.0003146300000000, 0.0008581400000000, -0.0001139700000000 ] - [ 0.0004798500000000, 0.0015556700000000, -0.0002170800000000 ] - [ 0.0003052300000000, -0.0006669100000000, 0.0003290300000000 ] - [ -0.0005415400000000, 0.0007034200000000, -0.0001549800000000 ] - [ 0.0059027400000000, -0.0060475000000000, 0.0063250600000000 ] - [ -0.0033811700000000, -0.0013028600000000, -0.0017313700000000 ] - [ 0.0026879000000000, 0.0007838200000000, 0.0009535200000000 ] - [ -0.0015461200000000, -0.0006315600000000, 0.0000108000000000 ] - [ -0.0001673400000000, 0.0001644800000000, 0.0002495400000000 ] - [ 0.0002434900000000, -0.0002324900000000, 0.0002252800000000 ] - [ 0.0024937500000000, -0.0024957400000000, -0.0015003100000000 ] - [ -0.0054957300000000, 0.0005896800000000, 0.0014184700000000 ] - [ 0.1166178900000000, -0.0694283400000000, -0.0632425000000000 ] - [ -0.0082094500000000, 0.0001083900000000, -0.0006088200000000 ] - [ 0.0012365700000000, 0.0009224500000000, -0.0000029400000000 ] - [ -0.0007403400000000, 0.0000273100000000, 0.0000308000000000 ] - [ -0.0036424800000000, 0.0014023400000000, 0.0036145900000000 ] - [ 0.0005151700000000, -0.0011492600000000, -0.0022318100000000 ] - [ 0.0002146400000000, 0.0006049100000000, 0.0002786900000000 ] - [ -0.0003355700000000, 0.0008810200000000, 0.0004483200000000 ] - [ 0.0003378300000000, 0.0006168500000000, -0.0002470000000000 ] - [ -0.0003700700000000, 0.0005431100000000, -0.0002589300000000 ] - [ -0.0003017700000000, -0.0002870000000000, -0.0003701800000000 ] - [ 0.0002439300000000, 0.0002761400000000, -0.0001717100000000 ] - [ -0.0003923100000000, 0.0001888300000000, -0.0000192900000000 ] - [ 0.0004730500000000, -0.0001823500000000, 0.0000861700000000 ] - [ -0.0023814200000000, 0.0025222600000000, 0.0000920600000000 ] - [ 0.0026874700000000, -0.0010840200000000, 0.0001961500000000 ] - [ 0.0002008000000000, 0.0002986000000000, 0.0000699600000000 ] - [ 0.0000612200000000, -0.0014285200000000, -0.0002495900000000 ] - [ -0.1712862700000000, 0.0788670400000000, 0.0716262300000000 ] - [ 0.0052212500000000, -0.0012836200000000, -0.0009566400000000 ] - [ -0.0002563800000000, -0.0002171300000000, -0.0001920400000000 ] - [ 0.0002056500000000, -0.0004769000000000, -0.0001802400000000 ] - [ -0.0031453700000000, 0.0004468300000000, 0.0022446800000000 ] - [ 0.0025263600000000, 0.0018115300000000, -0.0012382900000000 ] - [ -0.0043654500000000, -0.0011032600000000, 0.0031274000000000 ] - [ 0.0026079800000000, 0.0010037700000000, -0.0006423600000000 ] - [ -0.0028024900000000, 0.0018268900000000, -0.0000868800000000 ] - [ 0.0021871600000000, -0.0009527600000000, 0.0018333700000000 ] - [ 0.0004726600000000, 0.0000481800000000, -0.0003665300000000 ] - [ -0.0001640900000000, -0.0006640800000000, 0.0000281200000000 ] - [ 0.0001970900000000, -0.0000442600000000, 0.0003121700000000 ] - [ 0.0000040200000000, 0.0002151000000000, 0.0001892500000000 ] - [ -0.0037050800000000, 0.0008105000000000, 0.0043791500000000 ] - [ 0.0035079300000000, 0.0011490500000000, -0.0009120400000000 ] - [ 0.0000900800000000, -0.0008240800000000, 0.0000573900000000 ] - [ 0.0002401300000000, -0.0007104800000000, 0.0001600100000000 ] - [ -0.0018203000000000, -0.0004214300000000, 0.0005412200000000 ] - [ 0.0005804000000000, 0.0000266200000000, 0.0001179100000000 ] - [ -0.0000946400000000, 0.0021549300000000, 0.0016798300000000 ] - [ 0.0084940500000000, -0.0059084700000000, -0.0057227500000000 ] - [ -0.0048644700000000, 0.0023025400000000, -0.0007283900000000 ] - [ 0.0019444400000000, -0.0000645600000000, 0.0005008800000000 ] - [ 0.0001989600000000, -0.0009840600000000, 0.0003894000000000 ] - [ -0.0003354300000000, 0.0008223700000000, -0.0000292800000000 ] - [ 0.0002064500000000, 0.0001166500000000, -0.0000958900000000 ] - [ 0.0003620700000000, -0.0011534900000000, 0.0000773600000000 ] - [ 0.0002625400000000, -0.0000058400000000, -0.0033117300000000 ] - [ 0.0002757800000000, 0.0002533100000000, -0.0001600500000000 ] - [ 0.0183539500000000, -0.0139388100000000, 0.0168156200000000 ] - [ 0.0058103600000000, 0.0024473500000000, 0.0009610800000000 ] - [ -0.0004732100000000, -0.0012324800000000, -0.0002096200000000 ] - [ 0.0003192000000000, -0.0002635400000000, 0.0003693300000000 ] - [ 0.0000296300000000, -0.0002333200000000, 0.0025091700000000 ] - [ 0.0046466200000000, 0.0055339400000000, -0.0038715600000000 ] - [ -0.0002797100000000, -0.0006158100000000, -0.0000303600000000 ] - [ 0.0008704100000000, -0.0004085400000000, 0.0003348100000000 ] - [ 0.0181812400000000, 0.0160508700000000, -0.0147195500000000 ] - [ 0.0053915100000000, 0.0013068900000000, 0.0018312500000000 ] - [ -0.0007646100000000, -0.0005507600000000, 0.0008968100000000 ] - [ 0.0004034200000000, -0.0005313900000000, 0.0001957600000000 ] - [ 0.0000062700000000, -0.0005258400000000, -0.0004747600000000 ] - [ 0.0000072300000000, -0.0003139100000000, -0.0004624400000000 ] - [ 0.0002656000000000, 0.0034629600000000, -0.0008600200000000 ] - [ 0.0057095500000000, -0.0039893800000000, 0.0054098400000000 ] - [ -0.0002845800000000, 0.0001250400000000, -0.0003618500000000 ] - [ 0.0002052100000000, -0.0000879600000000, -0.0002967400000000 ] - [ -0.0010592400000000, 0.0007395000000000, 0.0007018200000000 ] - [ 0.0014175500000000, 0.0002366000000000, -0.0019402100000000 ] - [ -0.0002403200000000, -0.0000164700000000, -0.0003811500000000 ] - [ -0.0000708700000000, -0.0001259700000000, -0.0004701400000000 ] - [ -0.0004150100000000, -0.0000344000000000, 0.0003289500000000 ] - [ 0.0001011800000000, 0.0001844700000000, 0.0005068900000000 ] - [ 0.0005231700000000, 0.0005336400000000, 0.0005101300000000 ] - [ -0.0003687300000000, -0.0031026300000000, -0.0024158600000000 ] - [ 0.0000295900000000, 0.0002178000000000, 0.0001299500000000 ] - [ -0.0000755200000000, -0.0000160500000000, 0.0004759800000000 ] - [ -0.0001467500000000, -0.0004712800000000, -0.0002009700000000 ] - [ 0.0002437200000000, -0.0006871100000000, -0.0001845100000000 ] - [ -0.0020851000000000, 0.0003385500000000, -0.0004876900000000 ] - [ 0.0010824900000000, -0.0005201400000000, 0.0005424600000000 ] - [ -0.0000839000000000, 0.0001288500000000, -0.0002566000000000 ] - [ 0.0003654500000000, -0.0001036800000000, -0.0002855900000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003877500000000, 0.0000029900000000, 0.0000748100000000 ] - [ 0.0004834900000000, -0.0001609400000000, 0.0002798700000000 ] - [ -0.0014866300000000, 0.0019043200000000, -0.0005349700000000 ] - [ 0.0011632700000000, -0.0008067300000000, 0.0002372900000000 ] - [ 0.0095363400000000, 0.0056961000000000, 0.0020687900000000 ] - [ -0.0076946300000000, 0.0013147500000000, 0.0060858700000000 ] - [ 0.0009795200000000, 0.0007084600000000, -0.0007446600000000 ] - [ -0.0009825000000000, -0.0018945100000000, 0.0007609700000000 ] - [ -0.0018087400000000, 0.0006293300000000, 0.0001579200000000 ] - [ 0.0020098700000000, -0.0018891100000000, 0.0004588300000000 ] - [ -0.0042357400000000, -0.0069305300000000, 0.0061608800000000 ] - [ 0.0025811500000000, 0.0026612100000000, 0.0001828500000000 ] - [ -0.0027521000000000, 0.0007995800000000, -0.0003832400000000 ] - [ 0.0027807000000000, 0.0006733400000000, -0.0018643800000000 ] - [ -0.0076999800000000, 0.0063067400000000, 0.0027156900000000 ] - [ 0.0083974100000000, 0.0035049200000000, 0.0046581700000000 ] - [ -0.0005457500000000, -0.0012714400000000, 0.0000033400000000 ] - [ 0.0003964300000000, -0.0004695500000000, -0.0001981400000000 ] - [ 0.0004570700000000, 0.0000493500000000, -0.0001412900000000 ] - [ -0.0003417600000000, -0.0006522700000000, -0.0000378400000000 ] - [ -0.0004498300000000, -0.0002567100000000, -0.0000652900000000 ] - [ 0.0004014900000000, -0.0016083400000000, 0.0004092100000000 ] - [ -0.0057263600000000, 0.0051367200000000, -0.0060622100000000 ] - [ 0.0035165100000000, 0.0003920700000000, 0.0019991500000000 ] - [ -0.0028039700000000, -0.0014186000000000, -0.0013089100000000 ] - [ 0.0014474400000000, -0.0000026400000000, -0.0003616700000000 ] - [ 0.0002712800000000, -0.0007992100000000, 0.0001038300000000 ] - [ -0.0001407200000000, -0.0004044700000000, 0.0001273200000000 ] - [ -0.0025426200000000, 0.0018799800000000, 0.0018686100000000 ] - [ 0.0053982800000000, -0.0012200200000000, -0.0010621900000000 ] - [ -0.1105955200000000, 0.0661612700000000, 0.0591807500000000 ] - [ 0.0083374400000000, 0.0005315000000000, 0.0002587200000000 ] - [ -0.0011254100000000, -0.0015592700000000, -0.0003513600000000 ] - [ 0.0008393900000000, -0.0006617100000000, -0.0003864900000000 ] - [ 0.0037426600000000, -0.0007581400000000, -0.0032431800000000 ] - [ -0.0004427800000000, 0.0017507800000000, 0.0025711600000000 ] - [ -0.0003174500000000, 0.0000312000000000, 0.0000741400000000 ] - [ 0.0002303100000000, -0.0002482600000000, -0.0000950300000000 ] - [ -0.0004421700000000, 0.0000170100000000, -0.0001052400000000 ] - [ 0.0002657500000000, 0.0000918800000000, -0.0000941500000000 ] - [ 0.0002007000000000, 0.0002875600000000, 0.0003486200000000 ] - [ -0.0003415100000000, -0.0002758100000000, 0.0001507700000000 ] - [ 0.0004903600000000, -0.0001872600000000, 0.0000394100000000 ] - [ -0.0003748200000000, 0.0001833900000000, -0.0000648700000000 ] - [ 0.0023009900000000, -0.0024650300000000, -0.0000969900000000 ] - [ -0.0027848800000000, 0.0010792700000000, -0.0001767000000000 ] - [ -0.0001066800000000, -0.0002989900000000, -0.0000889000000000 ] - [ 0.0000384200000000, 0.0014344600000000, 0.0002295400000000 ] - [ 0.1651698300000000, -0.0744987900000000, -0.0670763400000000 ] - [ -0.0050669500000000, 0.0017672100000000, 0.0018093100000000 ] - [ 0.0002354000000000, -0.0003283900000000, -0.0001406500000000 ] - [ -0.0002262400000000, -0.0000696400000000, -0.0001520700000000 ] - [ 0.0031703700000000, -0.0011008600000000, -0.0027280500000000 ] - [ -0.0024795800000000, -0.0024532800000000, 0.0008232900000000 ] - [ 0.0049718400000000, 0.0013238400000000, -0.0029712100000000 ] - [ -0.0020226200000000, -0.0007814600000000, 0.0008046800000000 ] - [ 0.0027912600000000, -0.0024347700000000, -0.0002602300000000 ] - [ -0.0021738500000000, 0.0004131600000000, -0.0021735300000000 ] - [ -0.0004529900000000, -0.0005936400000000, 0.0006987000000000 ] - [ 0.0001861200000000, 0.0001172000000000, 0.0003057200000000 ] - [ -0.0001443300000000, 0.0006784000000000, 0.0001099000000000 ] - [ 0.0000490500000000, 0.0004211800000000, 0.0002314000000000 ] - [ 0.0036930600000000, -0.0001762400000000, -0.0047270100000000 ] - [ -0.0035532800000000, -0.0005166900000000, 0.0004820600000000 ] - [ -0.0001462000000000, 0.0001914300000000, 0.0003654700000000 ] - [ -0.0002935900000000, 0.0000757500000000, 0.0002630300000000 ] - [ 0.0012263000000000, 0.0006364300000000, -0.0003777700000000 ] - [ -0.0011653900000000, 0.0001887100000000, 0.0000499500000000 ] - [ -0.0001000700000000, -0.0026189800000000, -0.0025144700000000 ] - [ -0.0087209400000000, 0.0054842400000000, 0.0049260200000000 ] - [ 0.0042898900000000, -0.0025250500000000, 0.0008881600000000 ] - [ -0.0025283600000000, -0.0001569000000000, -0.0003302200000000 ] - [ -0.0007854500000000, 0.0011995200000000, -0.0005547800000000 ] - [ -0.0002452200000000, -0.0006037700000000, -0.0001398300000000 ] - [ 0.0003763900000000, -0.0003333800000000, -0.0000689200000000 ] - [ 0.0002237200000000, 0.0009386400000000, -0.0002448600000000 ] - [ -0.0001053200000000, 0.0004834200000000, 0.0024491500000000 ] - [ -0.0000924000000000, 0.0002212000000000, -0.0006823400000000 ] - [ -0.0179827500000000, 0.0141514700000000, -0.0164109500000000 ] - [ -0.0058723100000000, -0.0019258900000000, -0.0006131300000000 ] - [ 0.0004485800000000, 0.0006844000000000, 0.0005406700000000 ] - [ -0.0003324200000000, -0.0002818300000000, -0.0000323600000000 ] - [ -0.0006249500000000, 0.0000185400000000, -0.0026674500000000 ] - [ -0.0052358700000000, -0.0057438100000000, 0.0036998800000000 ] - [ 0.0008669000000000, 0.0003983700000000, 0.0001979700000000 ] - [ -0.0002866600000000, 0.0001934000000000, -0.0001681900000000 ] - [ -0.0179073500000000, -0.0154012200000000, 0.0148389800000000 ] - [ -0.0054812900000000, -0.0006586100000000, -0.0014314200000000 ] - [ 0.0009267300000000, 0.0000756900000000, -0.0000460400000000 ] - [ -0.0002367300000000, 0.0000523300000000, 0.0006522700000000 ] - [ 0.0001581000000000, 0.0000467100000000, -0.0003748700000000 ] - [ 0.0001587800000000, -0.0001644600000000, -0.0003866300000000 ] - [ 0.0003111900000000, -0.0032342800000000, 0.0006989100000000 ] - [ -0.0051329300000000, 0.0042065400000000, -0.0055729600000000 ] - [ 0.0003054200000000, 0.0004204900000000, 0.0000291100000000 ] - [ -0.0001860100000000, 0.0006355400000000, -0.0000360500000000 ] - [ 0.0010366500000000, -0.0001869600000000, -0.0010284700000000 ] - [ -0.0014348800000000, 0.0003083100000000, 0.0016010800000000 ] - [ 0.0000737500000000, 0.0004946400000000, -0.0004671500000000 ] - [ -0.0000921700000000, 0.0006087000000000, -0.0003791300000000 ] - [ 0.0002498400000000, 0.0005143500000000, 0.0005210100000000 ] - [ -0.0002663900000000, 0.0002955500000000, 0.0003423300000000 ] - [ -0.0004783300000000, -0.0011681100000000, -0.0000896800000000 ] - [ 0.0004225300000000, 0.0024759900000000, 0.0028447700000000 ] - [ -0.0000099300000000, 0.0003287700000000, 0.0002022600000000 ] - [ 0.0000957900000000, 0.0005631600000000, -0.0001451600000000 ] - [ 0.0000927800000000, -0.0001624100000000, -0.0002209800000000 ] - [ -0.0002977800000000, 0.0000522300000000, -0.0002372800000000 ] - [ 0.0019214700000000, -0.0008226900000000, 0.0013330500000000 ] - [ -0.0012499200000000, 0.0000413200000000, 0.0003054200000000 ] - [ 0.0001356300000000, 0.0005080800000000, -0.0001662400000000 ] - [ -0.0003119300000000, 0.0007385800000000, -0.0001369500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002888600000000, -0.0010997600000000, 0.0002101900000000 ] - [ 0.0002986800000000, -0.0010381700000000, 0.0004190900000000 ] - [ -0.0007532900000000, 0.0007823000000000, 0.0013660200000000 ] - [ 0.0007565900000000, -0.0000463800000000, 0.0006263500000000 ] - [ 0.0027787200000000, 0.0021048600000000, 0.0006947900000000 ] - [ -0.0058958200000000, 0.0157642600000000, 0.0027451300000000 ] - [ 0.0005063400000000, -0.0004128200000000, -0.0001766500000000 ] - [ -0.0007133300000000, -0.0029500300000000, 0.0016066500000000 ] - [ -0.0018859500000000, -0.0028727300000000, 0.0014925100000000 ] - [ 0.0021967000000000, -0.0025244500000000, -0.0001802400000000 ] - [ 0.0006651400000000, -0.0040238300000000, 0.0051192600000000 ] - [ -0.0005977800000000, 0.0009517500000000, 0.0008277700000000 ] - [ -0.0009962100000000, 0.0033062800000000, -0.0002145100000000 ] - [ 0.0003914500000000, 0.0020489700000000, -0.0001402300000000 ] - [ 0.0028274200000000, 0.0114963600000000, -0.0082867100000000 ] - [ 0.0041139000000000, 0.0045915000000000, 0.0026106000000000 ] - [ -0.0000191800000000, -0.0018526500000000, 0.0003722000000000 ] - [ -0.0001517600000000, -0.0013115000000000, 0.0001483800000000 ] - [ 0.0003385900000000, -0.0012188500000000, -0.0002625900000000 ] - [ -0.0003254900000000, -0.0021401000000000, -0.0004207300000000 ] - [ -0.0009273300000000, -0.0038468200000000, 0.0016153000000000 ] - [ 0.0003420800000000, -0.0019392400000000, 0.0004159000000000 ] - [ -0.0032908200000000, 0.0023738400000000, -0.0005453200000000 ] - [ 0.0026545900000000, 0.0017808700000000, 0.0021395400000000 ] - [ 0.0000033500000000, 0.0003437200000000, -0.0002827400000000 ] - [ 0.0003174400000000, -0.0000069200000000, -0.0004562400000000 ] - [ 0.0002788600000000, -0.0009002500000000, 0.0000978100000000 ] - [ -0.0002077600000000, -0.0009252800000000, 0.0000583400000000 ] - [ -0.0057478400000000, 0.0020879800000000, -0.0042344800000000 ] - [ 0.0032182800000000, -0.0003779100000000, -0.0012705500000000 ] - [ -0.0625324600000000, 0.0821799300000000, 0.0453239900000000 ] - [ 0.0019671800000000, 0.0027635500000000, -0.0024044300000000 ] - [ 0.0004373000000000, -0.0026100300000000, -0.0010763000000000 ] - [ -0.0001113100000000, -0.0014230900000000, -0.0011481300000000 ] - [ 0.0015300700000000, 0.0016317000000000, -0.0005374700000000 ] - [ 0.0003841700000000, 0.0042889900000000, 0.0008645100000000 ] - [ -0.0003114000000000, -0.0009625200000000, -0.0004518000000000 ] - [ -0.0000502200000000, -0.0008703700000000, -0.0003695600000000 ] - [ -0.0002013400000000, -0.0006520100000000, 0.0002775200000000 ] - [ 0.0000647400000000, -0.0003845800000000, 0.0001237000000000 ] - [ -0.0000693100000000, -0.0000093200000000, 0.0002045700000000 ] - [ -0.0000578300000000, -0.0002101800000000, -0.0000762700000000 ] - [ 0.0003534700000000, 0.0001902900000000, -0.0001950500000000 ] - [ -0.0003156000000000, 0.0003187900000000, -0.0002277400000000 ] - [ 0.0020730800000000, 0.0089996200000000, -0.0037896400000000 ] - [ -0.0013316000000000, 0.0005380400000000, -0.0001399200000000 ] - [ 0.0003400800000000, 0.0003421400000000, -0.0001561400000000 ] - [ -0.0003491100000000, 0.0016721300000000, 0.0004406500000000 ] - [ 0.0761366200000000, -0.1061738400000000, -0.0160295900000000 ] - [ -0.0014448200000000, -0.0002386100000000, 0.0011966700000000 ] - [ 0.0001709900000000, -0.0000261500000000, -0.0003877900000000 ] - [ -0.0000939100000000, -0.0000342000000000, -0.0002554500000000 ] - [ 0.0010475200000000, -0.0028841000000000, 0.0044988800000000 ] - [ -0.0015616200000000, -0.0023452900000000, 0.0006492700000000 ] - [ 0.0040143600000000, 0.0025685800000000, -0.0038103200000000 ] - [ -0.0011803100000000, -0.0002544100000000, 0.0002487900000000 ] - [ 0.0067173300000000, 0.0090268200000000, 0.0049393200000000 ] - [ -0.0009821500000000, -0.0001407200000000, -0.0008422400000000 ] - [ -0.0000421300000000, -0.0004786000000000, 0.0002581300000000 ] - [ 0.0001674000000000, -0.0006233300000000, -0.0005924700000000 ] - [ -0.0002788300000000, 0.0010347200000000, 0.0000368600000000 ] - [ -0.0001287700000000, 0.0012231700000000, -0.0002123800000000 ] - [ -0.0000897700000000, -0.0044213700000000, -0.0053447400000000 ] - [ -0.0011827800000000, -0.0010110000000000, -0.0003679700000000 ] - [ -0.0006857700000000, 0.0010889100000000, 0.0006118900000000 ] - [ -0.0003966500000000, 0.0006558000000000, 0.0005274500000000 ] - [ -0.0000215300000000, 0.0011374200000000, -0.0013893200000000 ] - [ -0.0005029800000000, 0.0004804600000000, -0.0001705900000000 ] - [ 0.0023052500000000, -0.0029813700000000, -0.0018637800000000 ] - [ -0.0058096500000000, 0.0011836200000000, 0.0045361000000000 ] - [ 0.0005535800000000, -0.0018767900000000, -0.0015892000000000 ] - [ -0.0009480100000000, -0.0007969700000000, -0.0003188700000000 ] - [ -0.0010076800000000, 0.0011776700000000, -0.0007335300000000 ] - [ 0.0002402500000000, 0.0004073700000000, -0.0009200200000000 ] - [ 0.0006406300000000, 0.0008067300000000, -0.0003354800000000 ] - [ 0.0002186700000000, 0.0016828200000000, -0.0001604800000000 ] - [ 0.0001001000000000, -0.0005610400000000, 0.0002209400000000 ] - [ -0.0001561700000000, -0.0005649100000000, -0.0007355200000000 ] - [ -0.0116616600000000, 0.0017504600000000, -0.0127826100000000 ] - [ 0.0006629400000000, -0.0010907700000000, 0.0009683000000000 ] - [ -0.0002117600000000, 0.0008098000000000, 0.0004575500000000 ] - [ 0.0008206500000000, 0.0004170200000000, 0.0008174100000000 ] - [ -0.0010030700000000, -0.0009951000000000, -0.0020461900000000 ] - [ -0.0008751500000000, -0.0016631200000000, 0.0000699000000000 ] - [ 0.0005219500000000, 0.0014713800000000, 0.0000420700000000 ] - [ -0.0001110200000000, 0.0008158600000000, -0.0001889700000000 ] - [ 0.0033086900000000, -0.0215999300000000, -0.0035024400000000 ] - [ -0.0036652100000000, -0.0029392000000000, 0.0002108400000000 ] - [ 0.0004001500000000, 0.0013906000000000, 0.0006228500000000 ] - [ 0.0003751800000000, 0.0004911800000000, 0.0005441700000000 ] - [ 0.0001592300000000, 0.0001940100000000, -0.0004284000000000 ] - [ 0.0003707200000000, 0.0001939100000000, -0.0003232100000000 ] - [ 0.0007203800000000, -0.0016914900000000, 0.0002586600000000 ] - [ -0.0075024200000000, 0.0061553900000000, -0.0085818500000000 ] - [ 0.0003421900000000, 0.0011983000000000, 0.0004499300000000 ] - [ 0.0000433200000000, 0.0010390000000000, 0.0003736600000000 ] - [ 0.0006285400000000, -0.0009678600000000, -0.0012370900000000 ] - [ -0.0004567300000000, -0.0001634900000000, 0.0001514700000000 ] - [ 0.0001731600000000, 0.0009473300000000, -0.0004472300000000 ] - [ 0.0002834000000000, 0.0013051300000000, -0.0002756100000000 ] - [ 0.0001919500000000, 0.0007966400000000, 0.0003951000000000 ] - [ -0.0000281700000000, 0.0006652800000000, 0.0003180400000000 ] - [ -0.0000353000000000, -0.0013125500000000, 0.0002409300000000 ] - [ -0.0002064700000000, -0.0017782100000000, -0.0002672000000000 ] - [ 0.0001097100000000, 0.0006469300000000, -0.0001261600000000 ] - [ 0.0001507000000000, 0.0009639000000000, -0.0005479200000000 ] - [ -0.0000959500000000, 0.0003775200000000, -0.0002366600000000 ] - [ -0.0003279200000000, 0.0003355200000000, -0.0002578200000000 ] - [ 0.0004986400000000, -0.0006974300000000, 0.0008119700000000 ] - [ -0.0003653600000000, -0.0005228400000000, 0.0002029000000000 ] - [ -0.0003887800000000, 0.0013146500000000, -0.0000546400000000 ] - [ -0.0003323400000000, 0.0011327300000000, -0.0000536300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004266200000000, 0.0020003700000000, 0.0000477500000000 ] - [ -0.0001544100000000, 0.0019377400000000, -0.0001603600000000 ] - [ 0.0006418100000000, -0.0007975500000000, -0.0007839500000000 ] - [ -0.0008661000000000, 0.0000395100000000, -0.0000467500000000 ] - [ -0.0026027700000000, -0.0029708100000000, -0.0009390800000000 ] - [ 0.0052798800000000, -0.0156987500000000, -0.0033678200000000 ] - [ -0.0003899300000000, 0.0004167000000000, -0.0003988800000000 ] - [ 0.0008230300000000, 0.0029319800000000, -0.0021626600000000 ] - [ 0.0019784500000000, 0.0028560100000000, -0.0009100800000000 ] - [ -0.0020616700000000, 0.0025092400000000, 0.0007560500000000 ] - [ -0.0007878100000000, 0.0039825200000000, -0.0056704100000000 ] - [ 0.0004849000000000, -0.0009647700000000, -0.0014067800000000 ] - [ 0.0008595400000000, -0.0023923200000000, -0.0000299600000000 ] - [ -0.0005426600000000, -0.0011278500000000, -0.0001143500000000 ] - [ -0.0030152300000000, -0.0104738700000000, 0.0085562200000000 ] - [ -0.0042256400000000, -0.0036687800000000, -0.0023448200000000 ] - [ -0.0001228800000000, 0.0009348300000000, -0.0006249400000000 ] - [ 0.0000114300000000, 0.0003938400000000, -0.0004029200000000 ] - [ -0.0001963500000000, 0.0021201800000000, 0.0000079400000000 ] - [ 0.0004648200000000, 0.0030337700000000, 0.0001673700000000 ] - [ 0.0007859600000000, 0.0029384300000000, -0.0013712300000000 ] - [ -0.0004815600000000, 0.0010186100000000, -0.0001618900000000 ] - [ 0.0034024900000000, -0.0032322700000000, 0.0008007000000000 ] - [ -0.0024933300000000, -0.0026605700000000, -0.0018635300000000 ] - [ -0.0001091600000000, -0.0009620000000000, -0.0000629600000000 ] - [ -0.0004173400000000, -0.0006225400000000, 0.0001026500000000 ] - [ -0.0001753700000000, 0.0002594200000000, 0.0002579500000000 ] - [ 0.0003112600000000, 0.0002832100000000, 0.0002981700000000 ] - [ 0.0056295500000000, -0.0026355600000000, 0.0045425800000000 ] - [ -0.0033022600000000, -0.0002469500000000, 0.0016179400000000 ] - [ 0.0645841700000000, -0.0819350700000000, -0.0466805900000000 ] - [ -0.0018635000000000, -0.0021071600000000, 0.0020289400000000 ] - [ -0.0003399400000000, 0.0019654800000000, 0.0007203200000000 ] - [ 0.0002177200000000, 0.0007819800000000, 0.0007933600000000 ] - [ -0.0014179100000000, -0.0010081100000000, 0.0008793200000000 ] - [ -0.0002934600000000, -0.0036614600000000, -0.0005266400000000 ] - [ 0.0002038300000000, 0.0015917400000000, 0.0008002400000000 ] - [ -0.0000498000000000, 0.0014988300000000, 0.0007179500000000 ] - [ 0.0000946300000000, 0.0012849000000000, -0.0006293300000000 ] - [ -0.0001676000000000, 0.0010178400000000, -0.0004761500000000 ] - [ -0.0000298500000000, 0.0000123600000000, -0.0002263600000000 ] - [ -0.0000404600000000, 0.0002131100000000, 0.0000545000000000 ] - [ -0.0002516700000000, -0.0001912600000000, 0.0002130400000000 ] - [ 0.0004112900000000, -0.0003182200000000, 0.0002463400000000 ] - [ -0.0022124300000000, -0.0091610100000000, 0.0038670800000000 ] - [ 0.0012233100000000, -0.0005313800000000, 0.0001595700000000 ] - [ -0.0002380000000000, -0.0003425800000000, 0.0001346600000000 ] - [ 0.0004448800000000, -0.0016567700000000, -0.0004560000000000 ] - [ -0.0771776100000000, 0.1057368000000000, 0.0181705300000000 ] - [ 0.0016038300000000, 0.0007142800000000, -0.0003453600000000 ] - [ -0.0001907500000000, -0.0005160900000000, 0.0000518300000000 ] - [ 0.0000738300000000, -0.0005087200000000, -0.0000794700000000 ] - [ -0.0010237200000000, 0.0021734100000000, -0.0049374200000000 ] - [ 0.0016029600000000, 0.0016924900000000, -0.0010623200000000 ] - [ -0.0033782600000000, -0.0023238000000000, 0.0039241600000000 ] - [ 0.0017533100000000, 0.0004649000000000, -0.0000808700000000 ] - [ -0.0065790200000000, -0.0094154100000000, -0.0051701200000000 ] - [ 0.0009951800000000, -0.0004075600000000, 0.0005053200000000 ] - [ 0.0000626000000000, -0.0000712000000000, 0.0000745300000000 ] - [ -0.0001424500000000, 0.0000677100000000, 0.0009118300000000 ] - [ 0.0003315800000000, -0.0003967700000000, 0.0003847900000000 ] - [ 0.0001811000000000, -0.0005860300000000, 0.0006359300000000 ] - [ 0.0000491300000000, 0.0050120100000000, 0.0049597700000000 ] - [ 0.0011126400000000, 0.0016417800000000, -0.0000490200000000 ] - [ 0.0006306700000000, -0.0017182100000000, -0.0001879400000000 ] - [ 0.0003402700000000, -0.0012850900000000, -0.0001041600000000 ] - [ -0.0005580700000000, -0.0009079700000000, 0.0015576400000000 ] - [ -0.0000831200000000, -0.0002558400000000, 0.0003356000000000 ] - [ -0.0024666400000000, 0.0024814400000000, 0.0010035100000000 ] - [ 0.0055852100000000, -0.0016577100000000, -0.0053210400000000 ] - [ -0.0011436600000000, 0.0016673100000000, 0.0017437600000000 ] - [ 0.0003634000000000, 0.0005767300000000, 0.0004855100000000 ] - [ 0.0004204500000000, -0.0009506400000000, 0.0005646300000000 ] - [ -0.0008270700000000, -0.0001790600000000, 0.0007575800000000 ] - [ -0.0000519900000000, -0.0010214000000000, 0.0001666800000000 ] - [ 0.0003648700000000, -0.0018891600000000, -0.0000075800000000 ] - [ 0.0000658600000000, 0.0010413700000000, -0.0010596000000000 ] - [ 0.0003310400000000, 0.0010374900000000, -0.0001117100000000 ] - [ 0.0117229600000000, -0.0011717100000000, 0.0130881000000000 ] - [ -0.0006587400000000, 0.0016360100000000, -0.0006262700000000 ] - [ 0.0001938700000000, -0.0013485000000000, -0.0001194500000000 ] - [ -0.0008455200000000, -0.0009600500000000, -0.0004835100000000 ] - [ 0.0004097200000000, 0.0007794300000000, 0.0018697800000000 ] - [ 0.0003144400000000, 0.0014811200000000, -0.0002598100000000 ] - [ 0.0000665600000000, -0.0016790500000000, 0.0001232200000000 ] - [ 0.0006927000000000, -0.0010300700000000, 0.0003524200000000 ] - [ -0.0033634300000000, 0.0223227200000000, 0.0039772100000000 ] - [ 0.0035890500000000, 0.0035370200000000, 0.0002125500000000 ] - [ -0.0002281700000000, -0.0018663200000000, 0.0002225200000000 ] - [ -0.0002105400000000, -0.0009662700000000, 0.0003054500000000 ] - [ 0.0000081100000000, -0.0006690100000000, -0.0004212000000000 ] - [ -0.0002034100000000, -0.0006690900000000, -0.0005264500000000 ] - [ -0.0001274200000000, 0.0018956200000000, -0.0004266900000000 ] - [ 0.0079943400000000, -0.0058594200000000, 0.0083044700000000 ] - [ -0.0003173900000000, -0.0006465900000000, -0.0007781300000000 ] - [ -0.0000236900000000, -0.0004880000000000, -0.0007037700000000 ] - [ -0.0006497700000000, 0.0015134600000000, 0.0009023900000000 ] - [ 0.0004343500000000, 0.0007101500000000, -0.0004812600000000 ] - [ -0.0003360800000000, -0.0004645400000000, -0.0004011900000000 ] - [ -0.0004493500000000, -0.0008209100000000, -0.0005719900000000 ] - [ -0.0003551800000000, -0.0003142200000000, 0.0004553800000000 ] - [ -0.0001376400000000, -0.0001839700000000, 0.0005306500000000 ] - [ 0.0000836400000000, 0.0006703400000000, 0.0001806400000000 ] - [ 0.0002623200000000, 0.0011191000000000, 0.0006781100000000 ] - [ -0.0000884200000000, -0.0000993200000000, 0.0004575000000000 ] - [ -0.0001291900000000, -0.0004140800000000, 0.0008757100000000 ] - [ 0.0000408700000000, -0.0010057000000000, -0.0001876400000000 ] - [ 0.0002724700000000, -0.0009657300000000, -0.0001652800000000 ] - [ -0.0006606300000000, 0.0002117200000000, 0.0000363300000000 ] - [ 0.0001980100000000, 0.0000397700000000, 0.0006438100000000 ] - [ 0.0004421200000000, -0.0006740400000000, -0.0003659300000000 ] - [ 0.0003829700000000, -0.0004919500000000, -0.0003669000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000065200000000, 0.0005975100000000, 0.0000427600000000 ] - [ 0.0001789400000000, 0.0006193900000000, 0.0000913300000000 ] - [ -0.0012368000000000, 0.0017590000000000, -0.0027171500000000 ] - [ 0.0004697600000000, -0.0003299500000000, -0.0006396800000000 ] - [ 0.0046894300000000, 0.0029550600000000, 0.0030535500000000 ] - [ 0.0033419300000000, -0.0102694400000000, 0.0105185200000000 ] - [ 0.0004162400000000, 0.0008310800000000, -0.0007634500000000 ] - [ -0.0002503600000000, 0.0007121700000000, -0.0009384600000000 ] - [ -0.0002044700000000, 0.0005737200000000, 0.0019304300000000 ] - [ -0.0000565700000000, 0.0001444300000000, 0.0012220500000000 ] - [ -0.0028614700000000, -0.0004647900000000, 0.0014889200000000 ] - [ 0.0022515100000000, 0.0020973000000000, 0.0008197000000000 ] - [ -0.0022166800000000, 0.0010864400000000, -0.0045869900000000 ] - [ 0.0022589200000000, -0.0008845600000000, -0.0039027200000000 ] - [ -0.0075945900000000, 0.0043839400000000, 0.0204482000000000 ] - [ 0.0020460900000000, 0.0013949600000000, 0.0013402200000000 ] - [ -0.0004175100000000, -0.0005098200000000, -0.0005708700000000 ] - [ 0.0002569900000000, -0.0001058700000000, -0.0005749800000000 ] - [ 0.0001672200000000, 0.0005524200000000, 0.0001730300000000 ] - [ -0.0000030600000000, 0.0006476100000000, 0.0001578400000000 ] - [ -0.0001396300000000, 0.0005829700000000, -0.0000772700000000 ] - [ 0.0001406400000000, -0.0004559400000000, 0.0001855900000000 ] - [ 0.0001640400000000, 0.0040909700000000, -0.0050445800000000 ] - [ -0.0000381200000000, 0.0005305300000000, -0.0002781500000000 ] - [ -0.0016959900000000, -0.0023387200000000, -0.0034167400000000 ] - [ 0.0001147600000000, -0.0008147200000000, -0.0012067400000000 ] - [ 0.0002175300000000, -0.0005960400000000, 0.0001269200000000 ] - [ -0.0000129400000000, -0.0004365400000000, 0.0000426200000000 ] - [ -0.0052366900000000, -0.0046947800000000, 0.0028424400000000 ] - [ 0.0030418400000000, -0.0014472100000000, -0.0001140200000000 ] - [ -0.0575851900000000, 0.0470055700000000, 0.0749736500000000 ] - [ 0.0016866500000000, -0.0018903600000000, 0.0025326400000000 ] - [ -0.0005760200000000, -0.0007350400000000, 0.0004315000000000 ] - [ 0.0004416900000000, -0.0000556400000000, 0.0002562500000000 ] - [ 0.0023734100000000, -0.0006188200000000, -0.0024956400000000 ] - [ -0.0050236700000000, -0.0057157200000000, -0.0049801000000000 ] - [ -0.0000976600000000, 0.0002488400000000, 0.0002597700000000 ] - [ 0.0000188000000000, 0.0003528700000000, 0.0001982200000000 ] - [ -0.0001671900000000, 0.0004571700000000, -0.0004372700000000 ] - [ 0.0000484100000000, 0.0004174600000000, -0.0003584500000000 ] - [ 0.0000461900000000, 0.0001866800000000, 0.0006196600000000 ] - [ -0.0001735300000000, 0.0000195900000000, 0.0007453400000000 ] - [ 0.0001865400000000, -0.0002589100000000, 0.0003330400000000 ] - [ -0.0000111400000000, -0.0000693700000000, 0.0001844500000000 ] - [ 0.0005302800000000, -0.0034653600000000, -0.0008605000000000 ] - [ -0.0004525600000000, -0.0000141100000000, -0.0001950700000000 ] - [ 0.0001223300000000, 0.0000074500000000, -0.0004083500000000 ] - [ 0.0001425600000000, -0.0001564300000000, -0.0004801000000000 ] - [ 0.0690515800000000, -0.0164464400000000, -0.1161268300000000 ] - [ -0.0013136200000000, 0.0010156200000000, -0.0000709300000000 ] - [ 0.0000883200000000, -0.0004121300000000, 0.0002123800000000 ] - [ -0.0001473700000000, -0.0001994900000000, -0.0000223800000000 ] - [ 0.0067732500000000, 0.0059605300000000, 0.0084608700000000 ] - [ -0.0010355900000000, -0.0010208100000000, 0.0001946700000000 ] - [ 0.0007365800000000, -0.0016841700000000, -0.0004459300000000 ] - [ -0.0001342000000000, -0.0006042000000000, 0.0001443800000000 ] - [ 0.0008028000000000, 0.0029041500000000, -0.0028838800000000 ] - [ -0.0012957100000000, 0.0003379100000000, -0.0018983300000000 ] - [ -0.0005251400000000, -0.0003451500000000, 0.0010597400000000 ] - [ -0.0004142200000000, 0.0000967200000000, 0.0020916000000000 ] - [ 0.0000463000000000, 0.0002545400000000, 0.0002802100000000 ] - [ 0.0001043100000000, 0.0000457700000000, 0.0003938100000000 ] - [ 0.0047988100000000, 0.0009892900000000, 0.0142851200000000 ] - [ -0.0016396000000000, -0.0000120400000000, 0.0003328200000000 ] - [ -0.0000135700000000, -0.0002986300000000, 0.0000990700000000 ] - [ 0.0000073900000000, -0.0005006600000000, 0.0000599300000000 ] - [ 0.0003058200000000, -0.0003823800000000, 0.0001702400000000 ] - [ -0.0007920800000000, -0.0001094700000000, 0.0003992800000000 ] - [ 0.0020236600000000, -0.0016845900000000, -0.0027747800000000 ] - [ -0.0054364600000000, 0.0047204900000000, -0.0001570300000000 ] - [ 0.0035888500000000, -0.0034632400000000, 0.0037732200000000 ] - [ -0.0015906900000000, -0.0000000900000000, 0.0003718400000000 ] - [ -0.0002782300000000, 0.0001983500000000, 0.0001440100000000 ] - [ -0.0003673100000000, -0.0009881700000000, 0.0000869200000000 ] - [ 0.0003291000000000, -0.0004397100000000, -0.0002118200000000 ] - [ 0.0003181400000000, -0.0003240900000000, -0.0002283600000000 ] - [ -0.0001843200000000, 0.0005574200000000, 0.0017536800000000 ] - [ 0.0029485600000000, -0.0003984700000000, 0.0017445900000000 ] - [ 0.0052170400000000, -0.0062392400000000, -0.0209754200000000 ] - [ -0.0035297400000000, -0.0001069200000000, -0.0026836300000000 ] - [ 0.0001336100000000, -0.0001952500000000, -0.0000938100000000 ] - [ -0.0003552400000000, -0.0006322700000000, -0.0003249800000000 ] - [ 0.0000517000000000, 0.0000011100000000, -0.0010716300000000 ] - [ -0.0076015500000000, -0.0087911100000000, 0.0063825500000000 ] - [ 0.0003188800000000, -0.0004071100000000, -0.0000224800000000 ] - [ 0.0001871000000000, -0.0003128900000000, -0.0000511000000000 ] - [ -0.0125415100000000, -0.0107014100000000, 0.0045972100000000 ] - [ 0.0012186500000000, 0.0012620000000000, -0.0009585700000000 ] - [ 0.0005490200000000, -0.0004425500000000, -0.0000904500000000 ] - [ -0.0001516900000000, -0.0003613100000000, 0.0004209600000000 ] - [ 0.0001146000000000, -0.0001415900000000, -0.0003364200000000 ] - [ 0.0001264100000000, -0.0002473600000000, -0.0003363600000000 ] - [ -0.0002973400000000, -0.0022511800000000, -0.0001289900000000 ] - [ 0.0012008800000000, -0.0007495900000000, 0.0012206000000000 ] - [ 0.0000080400000000, 0.0002394800000000, -0.0003289100000000 ] - [ -0.0000298800000000, 0.0002388200000000, -0.0003019600000000 ] - [ -0.0007365000000000, 0.0017197900000000, 0.0031026400000000 ] - [ -0.0010238000000000, 0.0005105800000000, 0.0015595500000000 ] - [ -0.0000336400000000, 0.0002658800000000, -0.0004941300000000 ] - [ -0.0001217100000000, 0.0000947600000000, -0.0004890900000000 ] - [ 0.0000198500000000, 0.0002127900000000, 0.0005481000000000 ] - [ -0.0001593800000000, 0.0001362000000000, 0.0004893900000000 ] - [ 0.0006002500000000, -0.0001102200000000, 0.0007461700000000 ] - [ 0.0001904500000000, 0.0037762900000000, 0.0040972000000000 ] - [ -0.0000466600000000, 0.0001573000000000, 0.0003663800000000 ] - [ -0.0000257600000000, 0.0001451500000000, 0.0003752000000000 ] - [ 0.0000353900000000, -0.0003731800000000, -0.0001758700000000 ] - [ -0.0001299100000000, -0.0002223000000000, -0.0002481500000000 ] - [ 0.0008413600000000, -0.0006304400000000, 0.0032060600000000 ] - [ -0.0001977900000000, -0.0000195700000000, 0.0012051200000000 ] - [ 0.0001489000000000, 0.0002181800000000, -0.0002052800000000 ] - [ -0.0000297500000000, 0.0002633200000000, -0.0002093800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001477900000000, 0.0003137800000000, 0.0002087600000000 ] - [ -0.0000367900000000, 0.0002920800000000, 0.0001605900000000 ] - [ 0.0011188300000000, -0.0017233000000000, 0.0032783500000000 ] - [ -0.0005767500000000, 0.0003315300000000, 0.0012163300000000 ] - [ -0.0045011900000000, -0.0038398900000000, -0.0032948400000000 ] - [ -0.0033696000000000, 0.0095559800000000, -0.0106925100000000 ] - [ -0.0003007500000000, -0.0008276100000000, 0.0001813400000000 ] - [ 0.0003643300000000, -0.0007085800000000, 0.0003476100000000 ] - [ 0.0003175900000000, -0.0005585900000000, -0.0013524100000000 ] - [ 0.0001620000000000, -0.0001440900000000, -0.0006328200000000 ] - [ 0.0027148000000000, 0.0004510100000000, -0.0020108900000000 ] - [ -0.0023406500000000, -0.0020716200000000, -0.0013741300000000 ] - [ 0.0020389100000000, -0.0001726800000000, 0.0043059500000000 ] - [ -0.0023657100000000, 0.0017909000000000, 0.0036253400000000 ] - [ 0.0065562100000000, -0.0036510100000000, -0.0188624500000000 ] - [ -0.0021460200000000, -0.0004671700000000, -0.0010455700000000 ] - [ 0.0002731400000000, -0.0003980400000000, 0.0003176500000000 ] - [ -0.0003953700000000, -0.0007986600000000, 0.0003202200000000 ] - [ -0.0000239900000000, 0.0003573100000000, -0.0004269300000000 ] - [ 0.0001447300000000, 0.0002631600000000, -0.0004117400000000 ] - [ -0.0000059100000000, -0.0014956400000000, 0.0003407500000000 ] - [ -0.0002811000000000, -0.0004566000000000, 0.0000742300000000 ] - [ -0.0000481000000000, -0.0049848100000000, 0.0052447400000000 ] - [ 0.0001840400000000, -0.0014498800000000, 0.0005124500000000 ] - [ 0.0015733500000000, 0.0016674700000000, 0.0030345000000000 ] - [ -0.0002102900000000, 0.0001718700000000, 0.0008459500000000 ] - [ -0.0001147600000000, -0.0000404700000000, 0.0002259700000000 ] - [ 0.0001159200000000, -0.0001985000000000, 0.0003081200000000 ] - [ 0.0051119200000000, 0.0040119300000000, -0.0023936600000000 ] - [ -0.0031121200000000, 0.0008038000000000, 0.0004774200000000 ] - [ 0.0594016100000000, -0.0472767900000000, -0.0756129300000000 ] - [ -0.0015782300000000, 0.0025091500000000, -0.0028702600000000 ] - [ 0.0006764200000000, 0.0000943000000000, -0.0007895000000000 ] - [ -0.0003362200000000, -0.0005844400000000, -0.0006129000000000 ] - [ -0.0022566400000000, 0.0012433000000000, 0.0028339700000000 ] - [ 0.0051335900000000, 0.0063907800000000, 0.0053072800000000 ] - [ -0.0000038800000000, 0.0003893000000000, 0.0000977100000000 ] - [ -0.0001215700000000, 0.0002847400000000, 0.0001592300000000 ] - [ 0.0000647800000000, 0.0001802700000000, 0.0000820000000000 ] - [ -0.0001492700000000, 0.0002206000000000, 0.0000035600000000 ] - [ -0.0001446400000000, -0.0001876200000000, -0.0006332900000000 ] - [ 0.0000686600000000, -0.0000232000000000, -0.0007572000000000 ] - [ -0.0000832400000000, 0.0002593300000000, -0.0003109900000000 ] - [ 0.0001126800000000, 0.0000701000000000, -0.0001637700000000 ] - [ -0.0006214400000000, 0.0034851300000000, 0.0008458500000000 ] - [ 0.0003322900000000, 0.0000232400000000, 0.0002092000000000 ] - [ -0.0000227300000000, -0.0000080000000000, 0.0003894600000000 ] - [ -0.0000370800000000, 0.0001548900000000, 0.0004580500000000 ] - [ -0.0695969800000000, 0.0177546800000000, 0.1156878700000000 ] - [ 0.0014494200000000, -0.0005277100000000, 0.0009273300000000 ] - [ -0.0001041200000000, -0.0001350200000000, -0.0005385400000000 ] - [ 0.0001299400000000, -0.0003440900000000, -0.0003073100000000 ] - [ -0.0065919900000000, -0.0064678500000000, -0.0087397200000000 ] - [ 0.0010706800000000, 0.0003717600000000, -0.0006125900000000 ] - [ -0.0001540200000000, 0.0018940600000000, 0.0006279300000000 ] - [ 0.0007184500000000, 0.0008217500000000, 0.0000239300000000 ] - [ -0.0008186700000000, -0.0034865100000000, 0.0024850600000000 ] - [ 0.0012955000000000, -0.0008712000000000, 0.0015425300000000 ] - [ 0.0005378400000000, -0.0001964000000000, -0.0007192800000000 ] - [ 0.0004231800000000, -0.0006247900000000, -0.0017361500000000 ] - [ 0.0000034100000000, 0.0003852600000000, 0.0001395900000000 ] - [ -0.0000540600000000, 0.0005930000000000, 0.0000261700000000 ] - [ -0.0049052900000000, -0.0002994700000000, -0.0149549600000000 ] - [ 0.0015830700000000, 0.0006544300000000, -0.0007476900000000 ] - [ -0.0000366800000000, -0.0003398900000000, 0.0003225800000000 ] - [ -0.0000580100000000, -0.0001383400000000, 0.0003614200000000 ] - [ -0.0008839500000000, 0.0005954600000000, -0.0000125900000000 ] - [ 0.0002017000000000, 0.0003256500000000, -0.0002328700000000 ] - [ -0.0021683400000000, 0.0011837900000000, 0.0018963900000000 ] - [ 0.0052145300000000, -0.0051352600000000, -0.0007004700000000 ] - [ -0.0041136800000000, 0.0031874900000000, -0.0035641500000000 ] - [ 0.0009894700000000, -0.0002225500000000, -0.0002099600000000 ] - [ -0.0003090700000000, 0.0000233900000000, -0.0003146700000000 ] - [ -0.0002188500000000, 0.0011942800000000, -0.0002602700000000 ] - [ 0.0002555700000000, 0.0002172900000000, 0.0000461900000000 ] - [ 0.0002678100000000, 0.0001021500000000, 0.0000613000000000 ] - [ 0.0003361300000000, -0.0000678100000000, -0.0025869400000000 ] - [ -0.0028142000000000, 0.0008807200000000, -0.0025963300000000 ] - [ -0.0052341800000000, 0.0068673400000000, 0.0213535600000000 ] - [ 0.0034882800000000, 0.0006445600000000, 0.0029831800000000 ] - [ -0.0001485400000000, -0.0003443700000000, 0.0004268300000000 ] - [ 0.0003392500000000, 0.0000888700000000, 0.0006560000000000 ] - [ -0.0006284000000000, -0.0002242100000000, 0.0008890800000000 ] - [ 0.0069280000000000, 0.0084459000000000, -0.0064616100000000 ] - [ 0.0002680700000000, 0.0001843500000000, 0.0001916500000000 ] - [ 0.0003978700000000, 0.0000924500000000, 0.0002194600000000 ] - [ 0.0125565400000000, 0.0112618000000000, -0.0041443500000000 ] - [ -0.0012483300000000, -0.0006156300000000, 0.0013787900000000 ] - [ -0.0003961500000000, -0.0000409100000000, 0.0009462700000000 ] - [ 0.0003024800000000, -0.0001215000000000, 0.0004361500000000 ] - [ 0.0000368600000000, -0.0003438600000000, -0.0005188900000000 ] - [ 0.0000247500000000, -0.0002390300000000, -0.0005188000000000 ] - [ 0.0008772900000000, 0.0024547700000000, -0.0000290600000000 ] - [ -0.0005774100000000, 0.0009421700000000, -0.0013465700000000 ] - [ 0.0000081000000000, 0.0003016500000000, -0.0000052900000000 ] - [ 0.0000457400000000, 0.0003036900000000, -0.0000319600000000 ] - [ 0.0007232800000000, -0.0011859600000000, -0.0034286500000000 ] - [ 0.0009999900000000, 0.0000328900000000, -0.0018816400000000 ] - [ -0.0001173400000000, 0.0002189000000000, -0.0003618900000000 ] - [ -0.0000285300000000, 0.0003899100000000, -0.0003674800000000 ] - [ -0.0001699700000000, 0.0002719000000000, 0.0003098400000000 ] - [ 0.0000075600000000, 0.0003475200000000, 0.0003680000000000 ] - [ -0.0005450300000000, -0.0005282600000000, -0.0003254800000000 ] - [ -0.0001368900000000, -0.0043590000000000, -0.0036284900000000 ] - [ 0.0000628600000000, 0.0003848400000000, -0.0000328000000000 ] - [ 0.0000418600000000, 0.0003967800000000, -0.0000412200000000 ] - [ -0.0000834600000000, -0.0002690300000000, -0.0002415000000000 ] - [ 0.0000807500000000, -0.0004183700000000, -0.0001702900000000 ] - [ -0.0009768500000000, 0.0001463800000000, -0.0023306100000000 ] - [ 0.0000417000000000, -0.0004592300000000, -0.0003421700000000 ] - [ -0.0000979300000000, 0.0004203900000000, -0.0002160100000000 ] - [ 0.0000793900000000, 0.0003753400000000, -0.0002117000000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027136100000000, 0.0019995000000000, -0.0027471500000000 ] - [ -0.0036625600000000, -0.0052696400000000, 0.0021552700000000 ] - [ 0.0112798700000000, -0.0066400500000000, 0.0029685400000000 ] - [ -0.0044291700000000, -0.0001857800000000, 0.0013462200000000 ] - [ -0.0000830400000000, -0.0008128300000000, -0.0001973400000000 ] - [ 0.0002656900000000, -0.0008022900000000, -0.0000092800000000 ] - [ -0.0003426300000000, -0.0004519900000000, -0.0006709900000000 ] - [ 0.0002851800000000, -0.0008877300000000, -0.0007646400000000 ] - [ 0.0002966200000000, -0.0003590900000000, 0.0006663900000000 ] - [ -0.0000741600000000, -0.0008768800000000, 0.0006255300000000 ] - [ -0.0000907300000000, -0.0015484500000000, 0.0016508100000000 ] - [ -0.0004379200000000, 0.0010317000000000, -0.0003229200000000 ] - [ 0.0008013900000000, -0.0016612300000000, 0.0009504800000000 ] - [ -0.0003647900000000, 0.0015735100000000, -0.0009403600000000 ] - [ 0.0001571400000000, 0.0003008100000000, 0.0003102600000000 ] - [ -0.0006756000000000, 0.0001085900000000, 0.0005402800000000 ] - [ -0.0056728300000000, 0.0014621200000000, 0.0071865400000000 ] - [ -0.0052845800000000, -0.0002071200000000, -0.0068058800000000 ] - [ -0.0007774200000000, 0.0005896500000000, 0.0000453500000000 ] - [ 0.0004596400000000, -0.0014949100000000, 0.0024486800000000 ] - [ 0.0027526000000000, 0.0004729300000000, 0.0016908600000000 ] - [ -0.0020402600000000, 0.0002799600000000, 0.0017358000000000 ] - [ 0.0003359700000000, -0.0010163100000000, -0.0001698900000000 ] - [ -0.0001909600000000, -0.0008023400000000, 0.0000467500000000 ] - [ 0.0002681600000000, -0.0005063600000000, -0.0002365100000000 ] - [ -0.0002999700000000, -0.0005500900000000, -0.0003334900000000 ] - [ -0.0052854500000000, -0.0005566000000000, -0.0018013700000000 ] - [ 0.0952947800000000, 0.0121722400000000, -0.1008947600000000 ] - [ -0.0000878000000000, -0.0005932000000000, 0.0003649900000000 ] - [ 0.0000097900000000, -0.0004677700000000, 0.0003166500000000 ] - [ 0.0003405900000000, 0.0000936900000000, -0.0002703600000000 ] - [ -0.0001879800000000, 0.0005518000000000, -0.0001301000000000 ] - [ 0.0018507100000000, 0.0007195400000000, 0.0001957000000000 ] - [ -0.0024943300000000, 0.0009549000000000, 0.0023138900000000 ] - [ -0.0013049000000000, -0.0008086900000000, -0.0002994500000000 ] - [ 0.0013529200000000, 0.0004367900000000, -0.0003749200000000 ] - [ -0.0007460100000000, 0.0014189200000000, 0.0012867100000000 ] - [ 0.0000306300000000, 0.0000889900000000, 0.0004009500000000 ] - [ 0.0045472200000000, 0.0005969100000000, 0.0000198900000000 ] - [ -0.0020137600000000, 0.0011588700000000, -0.0014978700000000 ] - [ 0.0075842900000000, 0.0060650900000000, -0.0009825800000000 ] - [ 0.0031634800000000, -0.0033941000000000, 0.0016254900000000 ] - [ -0.0000058000000000, -0.0000769000000000, 0.0001976300000000 ] - [ 0.0001679000000000, 0.0003053600000000, 0.0001953400000000 ] - [ -0.0004893000000000, -0.0000230200000000, -0.0004417200000000 ] - [ 0.0003210800000000, -0.0001130200000000, -0.0001696700000000 ] - [ 0.0001238800000000, 0.0000545800000000, -0.0001412800000000 ] - [ -0.0000088700000000, 0.0001879100000000, -0.0001330100000000 ] - [ -0.0001674200000000, 0.0004232000000000, 0.0005234700000000 ] - [ 0.0002968600000000, 0.0001573700000000, 0.0002873300000000 ] - [ -0.1136145500000000, -0.0260753000000000, 0.0993690200000000 ] - [ 0.0022715400000000, -0.0003384200000000, -0.0008579100000000 ] - [ 0.0000072000000000, -0.0000283000000000, -0.0004281300000000 ] - [ 0.0001553300000000, -0.0002249700000000, -0.0001696900000000 ] - [ 0.0001043300000000, 0.0004788500000000, 0.0001282700000000 ] - [ 0.0004412600000000, 0.0005110500000000, 0.0001271400000000 ] - [ -0.0000661600000000, -0.0001112800000000, -0.0003692000000000 ] - [ 0.0000044500000000, -0.0001342600000000, -0.0003085800000000 ] - [ 0.0000588600000000, -0.0000845000000000, 0.0002680300000000 ] - [ -0.0001154600000000, -0.0001174400000000, 0.0003967600000000 ] - [ 0.0031231800000000, -0.0025263300000000, 0.0004246600000000 ] - [ -0.0015013400000000, 0.0024047600000000, 0.0014727000000000 ] - [ -0.0002325700000000, 0.0003196700000000, -0.0000710000000000 ] - [ 0.0004270300000000, 0.0009280800000000, -0.0000676100000000 ] - [ -0.0005620800000000, -0.0005368800000000, 0.0003356800000000 ] - [ 0.0017114700000000, -0.0001521100000000, -0.0018486600000000 ] - [ -0.0019386300000000, 0.0026847500000000, -0.0072714600000000 ] - [ 0.0016244300000000, -0.0010120600000000, 0.0005813300000000 ] - [ -0.0000614100000000, -0.0001422200000000, -0.0004811200000000 ] - [ -0.0001655600000000, -0.0001022600000000, -0.0004606700000000 ] - [ -0.0018745900000000, -0.0001830200000000, 0.0002169600000000 ] - [ 0.0004986000000000, -0.0000860100000000, 0.0000209700000000 ] - [ 0.0026906000000000, 0.0022552900000000, -0.0029785100000000 ] - [ -0.0010263800000000, -0.0007370800000000, 0.0023858400000000 ] - [ 0.0003530200000000, 0.0000092700000000, -0.0001614600000000 ] - [ -0.0001157400000000, 0.0010440000000000, -0.0004962300000000 ] - [ 0.0004035800000000, 0.0010784100000000, -0.0000792400000000 ] - [ -0.0003779200000000, 0.0000369700000000, -0.0005660700000000 ] - [ -0.0000350100000000, 0.0004947800000000, -0.0000971200000000 ] - [ -0.0000339700000000, 0.0001510000000000, 0.0001454300000000 ] - [ -0.0002426800000000, -0.0005902000000000, -0.0006863200000000 ] - [ -0.0002412600000000, -0.0006373800000000, -0.0008449300000000 ] - [ 0.0001955400000000, 0.0008291200000000, -0.0009894600000000 ] - [ -0.0015338900000000, 0.0004568900000000, -0.0003552600000000 ] - [ -0.0003781700000000, 0.0012242600000000, -0.0000472600000000 ] - [ 0.0016463900000000, 0.0007483300000000, -0.0009672600000000 ] - [ -0.0000219400000000, 0.0005144900000000, 0.0002357200000000 ] - [ 0.0000043900000000, 0.0003341300000000, 0.0002019600000000 ] - [ -0.0009727200000000, -0.0008844100000000, -0.0003082300000000 ] - [ 0.0015099600000000, 0.0002053300000000, -0.0005877600000000 ] - [ 0.0059580300000000, -0.0009077600000000, 0.0031029700000000 ] - [ 0.0181035700000000, 0.0113572300000000, -0.0054751300000000 ] - [ 0.0003317400000000, 0.0003743200000000, -0.0000416200000000 ] - [ 0.0002598200000000, 0.0005127100000000, -0.0000457100000000 ] - [ -0.0003576200000000, -0.0000146400000000, -0.0009973800000000 ] - [ 0.0000308800000000, 0.0004516500000000, -0.0003317200000000 ] - [ -0.0010944800000000, 0.0008009700000000, 0.0004855700000000 ] - [ 0.0014150100000000, 0.0004473300000000, -0.0004937600000000 ] - [ 0.0003828400000000, 0.0002934300000000, -0.0009593700000000 ] - [ -0.0002539700000000, 0.0000863200000000, -0.0008472700000000 ] - [ -0.0028976000000000, -0.0064076500000000, -0.0003789700000000 ] - [ 0.0021046000000000, 0.0012315200000000, 0.0017226100000000 ] - [ 0.0002833400000000, 0.0000366600000000, 0.0002240600000000 ] - [ -0.0000817600000000, -0.0002751200000000, 0.0002396100000000 ] - [ 0.0001144400000000, -0.0000305600000000, 0.0004851300000000 ] - [ -0.0012360100000000, 0.0008673600000000, 0.0017492100000000 ] - [ -0.0150932200000000, 0.0090097600000000, 0.0052940200000000 ] - [ 0.0025354000000000, -0.0019023900000000, 0.0005840400000000 ] - [ -0.0003763800000000, 0.0000878800000000, 0.0004267300000000 ] - [ 0.0001158400000000, -0.0002085500000000, 0.0004641600000000 ] - [ -0.0002547400000000, -0.0014653800000000, -0.0017933400000000 ] - [ 0.0004093800000000, 0.0005514100000000, 0.0000145500000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0025366700000000, -0.0010828700000000, 0.0029872600000000 ] - [ 0.0037811300000000, 0.0061706900000000, -0.0019150300000000 ] - [ -0.0112845100000000, 0.0066237500000000, -0.0024443500000000 ] - [ 0.0043016100000000, 0.0001776900000000, -0.0007593200000000 ] - [ 0.0002232600000000, -0.0000959200000000, -0.0000572200000000 ] - [ -0.0001256400000000, -0.0001056200000000, -0.0002429000000000 ] - [ 0.0004565500000000, 0.0004562700000000, 0.0000898700000000 ] - [ -0.0001749800000000, 0.0008833300000000, 0.0001848100000000 ] - [ -0.0001804800000000, 0.0003591800000000, -0.0000841700000000 ] - [ 0.0001826900000000, 0.0008773500000000, -0.0000474400000000 ] - [ -0.0000167600000000, 0.0015304200000000, -0.0022214000000000 ] - [ 0.0003158100000000, -0.0010312200000000, -0.0002590000000000 ] - [ -0.0009275200000000, 0.0025641300000000, -0.0011970500000000 ] - [ 0.0002135400000000, -0.0006647000000000, 0.0006898700000000 ] - [ -0.0002983400000000, 0.0006131700000000, -0.0000631300000000 ] - [ 0.0005317500000000, 0.0007968900000000, -0.0002842500000000 ] - [ 0.0057879400000000, -0.0025056100000000, -0.0076312200000000 ] - [ 0.0051170600000000, -0.0006936700000000, 0.0065612400000000 ] - [ 0.0009179800000000, 0.0003219100000000, -0.0003031900000000 ] - [ -0.0003271900000000, 0.0023808300000000, -0.0026720500000000 ] - [ -0.0028757700000000, -0.0013766700000000, -0.0014394200000000 ] - [ 0.0018827200000000, -0.0011855400000000, -0.0014681900000000 ] - [ -0.0001908000000000, 0.0001068300000000, 0.0004230000000000 ] - [ 0.0003269600000000, -0.0001045800000000, 0.0002071000000000 ] - [ -0.0003728900000000, -0.0001279200000000, -0.0001162700000000 ] - [ 0.0001934400000000, -0.0000854100000000, -0.0000193100000000 ] - [ 0.0053549300000000, -0.0000948900000000, 0.0021371000000000 ] - [ -0.0963782400000000, -0.0140646400000000, 0.1045235800000000 ] - [ -0.0000164600000000, -0.0000421200000000, -0.0000119300000000 ] - [ -0.0001176700000000, -0.0001675100000000, 0.0000371500000000 ] - [ -0.0002324700000000, 0.0005405800000000, -0.0000825900000000 ] - [ 0.0002889100000000, 0.0000846600000000, -0.0002226900000000 ] - [ -0.0017302700000000, -0.0013459500000000, -0.0005478000000000 ] - [ 0.0025855700000000, -0.0015867700000000, -0.0026612800000000 ] - [ 0.0014053400000000, 0.0014331800000000, 0.0006462000000000 ] - [ -0.0012570600000000, 0.0002125200000000, 0.0007351900000000 ] - [ 0.0006374000000000, -0.0007716200000000, -0.0009238600000000 ] - [ -0.0001422600000000, 0.0005460000000000, -0.0000465200000000 ] - [ -0.0046421000000000, 0.0000187100000000, -0.0003801200000000 ] - [ 0.0019012400000000, -0.0005141400000000, 0.0011349200000000 ] - [ -0.0076048800000000, -0.0059752900000000, 0.0009579600000000 ] - [ -0.0033050700000000, 0.0034346700000000, -0.0016516100000000 ] - [ 0.0001028500000000, 0.0000774500000000, -0.0001745700000000 ] - [ -0.0000687100000000, -0.0003069200000000, -0.0001720400000000 ] - [ 0.0003866900000000, 0.0000244400000000, 0.0004619400000000 ] - [ -0.0004180500000000, 0.0001138000000000, 0.0001918000000000 ] - [ -0.0000257200000000, -0.0000557100000000, 0.0001179900000000 ] - [ 0.0001077100000000, -0.0001860500000000, 0.0001094300000000 ] - [ 0.0003248100000000, 0.0000603600000000, 0.0003312800000000 ] - [ -0.0001344900000000, 0.0003241700000000, 0.0005649300000000 ] - [ 0.1146998300000000, 0.0270497600000000, -0.1030065100000000 ] - [ -0.0022779200000000, -0.0001992100000000, 0.0005135900000000 ] - [ 0.0000423200000000, -0.0006102500000000, 0.0000070300000000 ] - [ -0.0001020100000000, -0.0004102700000000, -0.0002517800000000 ] - [ 0.0004794400000000, -0.0002598100000000, 0.0000385600000000 ] - [ 0.0001450600000000, -0.0002932700000000, 0.0000409100000000 ] - [ 0.0000830800000000, -0.0004327300000000, 0.0000335500000000 ] - [ 0.0000141600000000, -0.0004103200000000, -0.0000250500000000 ] - [ -0.0000417200000000, -0.0004599600000000, 0.0000676000000000 ] - [ 0.0001332200000000, -0.0004274100000000, -0.0000612700000000 ] - [ -0.0030417200000000, 0.0031347700000000, -0.0000017900000000 ] - [ 0.0015553400000000, -0.0017613100000000, -0.0010424200000000 ] - [ 0.0001760500000000, 0.0003111600000000, -0.0003526600000000 ] - [ -0.0004770700000000, -0.0002864400000000, -0.0003518400000000 ] - [ 0.0005007200000000, -0.0001007800000000, 0.0000874000000000 ] - [ -0.0017520100000000, -0.0004869300000000, 0.0022695300000000 ] - [ 0.0013124400000000, -0.0024303700000000, 0.0073768100000000 ] - [ -0.0021957000000000, 0.0012264700000000, -0.0004133000000000 ] - [ -0.0001010200000000, -0.0003393400000000, -0.0003717800000000 ] - [ 0.0000055000000000, -0.0003810800000000, -0.0003931000000000 ] - [ 0.0012634600000000, -0.0000447900000000, -0.0000375500000000 ] - [ -0.0010787100000000, -0.0001300100000000, 0.0001433600000000 ] - [ -0.0032517700000000, -0.0020037100000000, 0.0027852900000000 ] - [ 0.0004468300000000, 0.0009662400000000, -0.0025490700000000 ] - [ 0.0002276700000000, -0.0002282400000000, -0.0000069900000000 ] - [ 0.0007091900000000, -0.0012594300000000, 0.0003342300000000 ] - [ -0.0002475200000000, -0.0005889800000000, -0.0007735100000000 ] - [ 0.0005442700000000, 0.0004415500000000, -0.0002838300000000 ] - [ 0.0000150400000000, 0.0000511400000000, 0.0004302400000000 ] - [ 0.0000160600000000, 0.0003930300000000, 0.0001911000000000 ] - [ 0.0002213700000000, 0.0000448500000000, 0.0010169600000000 ] - [ 0.0002229700000000, 0.0000927400000000, 0.0011797300000000 ] - [ -0.0007840500000000, -0.0010382200000000, 0.0008176400000000 ] - [ 0.0009655600000000, -0.0006870300000000, 0.0001964000000000 ] - [ 0.0009573600000000, -0.0014348300000000, 0.0002158700000000 ] - [ -0.0010650200000000, -0.0009726600000000, 0.0011420000000000 ] - [ -0.0000322600000000, 0.0001223900000000, 0.0001854900000000 ] - [ -0.0000559200000000, 0.0003022400000000, 0.0002186700000000 ] - [ 0.0011235500000000, 0.0003949900000000, 0.0011519000000000 ] - [ -0.0013418700000000, -0.0006847300000000, 0.0014363300000000 ] - [ -0.0057247400000000, 0.0004148700000000, -0.0039152100000000 ] - [ -0.0182331400000000, -0.0120302100000000, 0.0049796000000000 ] - [ 0.0002516400000000, -0.0001560700000000, -0.0001253400000000 ] - [ 0.0003263700000000, -0.0002939200000000, -0.0001215100000000 ] - [ 0.0003712100000000, 0.0005557500000000, 0.0006535300000000 ] - [ -0.0000120400000000, 0.0000929900000000, -0.0000032700000000 ] - [ 0.0010750200000000, -0.0002713800000000, -0.0008253100000000 ] - [ -0.0014304400000000, 0.0001023100000000, 0.0001603700000000 ] - [ -0.0005430500000000, 0.0001875600000000, 0.0001035200000000 ] - [ 0.0000963900000000, 0.0003951900000000, -0.0000100900000000 ] - [ 0.0026966100000000, 0.0068867000000000, 0.0012433900000000 ] - [ -0.0022567700000000, -0.0007469100000000, -0.0008680100000000 ] - [ -0.0002316200000000, -0.0006727000000000, 0.0001970100000000 ] - [ 0.0001334500000000, -0.0003636300000000, 0.0001815400000000 ] - [ -0.0000996500000000, 0.0005701000000000, -0.0001455400000000 ] - [ 0.0012525500000000, -0.0003172300000000, -0.0014131500000000 ] - [ 0.0150615600000000, -0.0096626300000000, -0.0057863600000000 ] - [ -0.0025730400000000, 0.0012537200000000, -0.0009916900000000 ] - [ 0.0002134800000000, -0.0005704000000000, 0.0004269000000000 ] - [ -0.0002758700000000, -0.0002743900000000, 0.0003889700000000 ] - [ 0.0002967000000000, 0.0020860900000000, 0.0013572500000000 ] - [ -0.0003517100000000, 0.0000833400000000, -0.0004370300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0046828300000000, -0.0028847000000000, 0.0015934100000000 ] - [ -0.0025228500000000, -0.0025149900000000, 0.0020317800000000 ] - [ -0.0029529500000000, 0.0112822600000000, -0.0026452500000000 ] - [ -0.0005876400000000, 0.0018668700000000, 0.0017222300000000 ] - [ 0.0001216700000000, -0.0016367600000000, -0.0000583600000000 ] - [ 0.0002205500000000, -0.0020490500000000, -0.0001939200000000 ] - [ 0.0001226300000000, -0.0014171700000000, -0.0002930200000000 ] - [ -0.0001252000000000, -0.0026965000000000, -0.0000473200000000 ] - [ 0.0004531800000000, -0.0016144600000000, 0.0007416700000000 ] - [ -0.0002940500000000, -0.0015023600000000, 0.0005709900000000 ] - [ -0.0015251900000000, 0.0014837100000000, 0.0010534300000000 ] - [ 0.0010458600000000, 0.0016482500000000, 0.0010647600000000 ] - [ -0.0012387100000000, -0.0016609300000000, 0.0000607000000000 ] - [ 0.0011063600000000, -0.0014524000000000, -0.0000820200000000 ] - [ -0.0001448000000000, -0.0013851600000000, 0.0017869600000000 ] - [ -0.0001237800000000, -0.0000913100000000, 0.0005860900000000 ] - [ 0.0005927400000000, 0.0086647900000000, -0.0037904400000000 ] - [ -0.0020416400000000, 0.0041596200000000, -0.0041357700000000 ] - [ 0.0002048800000000, 0.0004614100000000, 0.0002651400000000 ] - [ -0.0017709000000000, -0.0016202800000000, 0.0038672800000000 ] - [ 0.0002625700000000, 0.0030886600000000, 0.0006491000000000 ] - [ 0.0000918600000000, 0.0008870400000000, 0.0004115200000000 ] - [ -0.0000941400000000, -0.0024267500000000, -0.0001559300000000 ] - [ 0.0002403700000000, -0.0022635500000000, -0.0003049600000000 ] - [ 0.0000181300000000, -0.0016696400000000, -0.0006854600000000 ] - [ 0.0001183900000000, -0.0012212200000000, -0.0005812500000000 ] - [ 0.0006019300000000, 0.0019021100000000, -0.0002357900000000 ] - [ 0.0105345900000000, 0.0400280300000000, -0.0230147900000000 ] - [ -0.0001393000000000, -0.0011945400000000, 0.0007599100000000 ] - [ 0.0000280100000000, -0.0012502600000000, 0.0006221800000000 ] - [ -0.0001876400000000, 0.0000994200000000, -0.0003514000000000 ] - [ 0.0003332300000000, 0.0001194500000000, -0.0003363300000000 ] - [ 0.0011813600000000, 0.0018290200000000, 0.0014201600000000 ] - [ 0.0000513600000000, 0.0013438800000000, 0.0007810400000000 ] - [ -0.0002809500000000, -0.0007015400000000, -0.0007035800000000 ] - [ 0.0016663100000000, -0.0024234200000000, -0.0022691700000000 ] - [ 0.0004303800000000, 0.0000753500000000, -0.0001359000000000 ] - [ -0.0008150800000000, 0.0000831800000000, -0.0002427100000000 ] - [ -0.0029518100000000, -0.0027672900000000, -0.0020906700000000 ] - [ -0.0003155600000000, 0.0002425300000000, -0.0004272700000000 ] - [ 0.0061411200000000, 0.0020673600000000, -0.0005929500000000 ] - [ -0.0035333900000000, 0.0003972800000000, -0.0004282500000000 ] - [ -0.0000986600000000, 0.0009599900000000, -0.0001307200000000 ] - [ 0.0002196600000000, 0.0005889000000000, 0.0000546500000000 ] - [ -0.0000014400000000, -0.0004547400000000, -0.0002597800000000 ] - [ -0.0001579700000000, -0.0003661300000000, -0.0001222600000000 ] - [ 0.0000164700000000, 0.0003595700000000, -0.0000847700000000 ] - [ 0.0001518300000000, 0.0007286000000000, -0.0001782000000000 ] - [ 0.0001321200000000, 0.0004891100000000, 0.0002917100000000 ] - [ -0.0001279300000000, 0.0004810500000000, 0.0005031300000000 ] - [ -0.0264310500000000, -0.0762184200000000, 0.0624107200000000 ] - [ -0.0000764700000000, -0.0016835100000000, 0.0008201200000000 ] - [ 0.0004611900000000, 0.0007055900000000, -0.0005502400000000 ] - [ 0.0001273300000000, 0.0004197900000000, -0.0004946100000000 ] - [ 0.0001943100000000, 0.0014864400000000, -0.0000258800000000 ] - [ 0.0002656100000000, 0.0010944400000000, 0.0001248100000000 ] - [ -0.0001540300000000, 0.0002784000000000, -0.0006947900000000 ] - [ -0.0001312900000000, 0.0002475500000000, -0.0006526000000000 ] - [ -0.0001808500000000, 0.0003208800000000, 0.0006288000000000 ] - [ -0.0001489200000000, 0.0005499900000000, 0.0007648500000000 ] - [ -0.0000804400000000, 0.0000042100000000, 0.0004910800000000 ] - [ 0.0020183400000000, 0.0006404800000000, 0.0031576300000000 ] - [ 0.0005862100000000, 0.0018769900000000, 0.0005776400000000 ] - [ 0.0003112300000000, 0.0011282400000000, 0.0000770400000000 ] - [ -0.0005288300000000, -0.0011254500000000, -0.0004881200000000 ] - [ 0.0006739500000000, -0.0018622000000000, -0.0007552700000000 ] - [ 0.0022801000000000, -0.0039317000000000, -0.0042166000000000 ] - [ -0.0003214100000000, -0.0016074200000000, 0.0001201500000000 ] - [ -0.0001309000000000, 0.0001302500000000, -0.0005452600000000 ] - [ -0.0003674000000000, 0.0004479400000000, -0.0005568100000000 ] - [ 0.0027357200000000, 0.0025957300000000, -0.0024128500000000 ] - [ -0.0008488000000000, -0.0001260800000000, -0.0004729500000000 ] - [ -0.0005323800000000, -0.0021165000000000, 0.0001160200000000 ] - [ -0.0021564100000000, -0.0036988400000000, -0.0017069400000000 ] - [ -0.0002806600000000, 0.0007312300000000, -0.0006319400000000 ] - [ 0.0007422100000000, 0.0011931700000000, -0.0005703300000000 ] - [ 0.0000864900000000, 0.0009328100000000, -0.0000684000000000 ] - [ -0.0008885400000000, 0.0013271400000000, -0.0005057400000000 ] - [ 0.0001145800000000, 0.0003173400000000, 0.0000837300000000 ] - [ -0.0002301000000000, 0.0003168500000000, -0.0001919000000000 ] - [ -0.0003737600000000, -0.0010316500000000, -0.0009589500000000 ] - [ -0.0003269200000000, -0.0010323600000000, -0.0007474400000000 ] - [ 0.0003565100000000, -0.0002090900000000, -0.0006694000000000 ] - [ -0.0043326500000000, 0.0035043600000000, -0.0030291100000000 ] - [ -0.0001225400000000, 0.0019999000000000, -0.0002223000000000 ] - [ 0.0008898300000000, 0.0006775400000000, -0.0004523000000000 ] - [ 0.0001794900000000, 0.0008096300000000, 0.0002021800000000 ] - [ -0.0000348900000000, 0.0007531200000000, 0.0002908000000000 ] - [ -0.0003885100000000, -0.0014852200000000, -0.0010271100000000 ] - [ 0.0001165200000000, -0.0006795000000000, 0.0001872100000000 ] - [ -0.0021122700000000, -0.0016076600000000, -0.0008043900000000 ] - [ 0.0141070500000000, 0.0012755700000000, -0.0069162100000000 ] - [ 0.0002450600000000, 0.0010815400000000, -0.0000284100000000 ] - [ 0.0004222400000000, 0.0012908700000000, -0.0000928500000000 ] - [ -0.0002785100000000, 0.0004646200000000, -0.0003372100000000 ] - [ 0.0001859500000000, 0.0003860200000000, 0.0000585000000000 ] - [ -0.0005460400000000, 0.0034900200000000, 0.0014482700000000 ] - [ -0.0001800600000000, 0.0007565700000000, 0.0001526400000000 ] - [ -0.0003956300000000, 0.0000407600000000, -0.0003570400000000 ] - [ 0.0003137300000000, -0.0001023900000000, -0.0007931500000000 ] - [ -0.0021850300000000, 0.0093884400000000, 0.0036054900000000 ] - [ 0.0006115700000000, 0.0003790800000000, 0.0010392100000000 ] - [ 0.0003862500000000, 0.0003456300000000, 0.0002645700000000 ] - [ 0.0003536000000000, 0.0007817600000000, 0.0003658500000000 ] - [ -0.0002923400000000, 0.0005504600000000, 0.0001438200000000 ] - [ 0.0005954600000000, 0.0016980300000000, -0.0005474500000000 ] - [ 0.0067550400000000, 0.0059221700000000, -0.0215415000000000 ] - [ 0.0005620300000000, -0.0008922000000000, -0.0004121200000000 ] - [ -0.0002238000000000, 0.0006820200000000, 0.0004616000000000 ] - [ -0.0004392100000000, 0.0005223500000000, 0.0004630900000000 ] - [ -0.0001133900000000, -0.0001053200000000, 0.0002672900000000 ] - [ 0.0004176300000000, -0.0001026800000000, -0.0001046000000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0045250200000000, 0.0037793800000000, -0.0013493700000000 ] - [ 0.0026347000000000, 0.0033725700000000, -0.0017629500000000 ] - [ 0.0026581000000000, -0.0107622900000000, 0.0026813600000000 ] - [ 0.0004732300000000, -0.0018525700000000, -0.0011365900000000 ] - [ 0.0000186700000000, 0.0007188100000000, -0.0001926600000000 ] - [ -0.0000775300000000, 0.0011286100000000, -0.0000599000000000 ] - [ -0.0000114300000000, 0.0014039900000000, -0.0002884300000000 ] - [ 0.0002393900000000, 0.0026805800000000, -0.0005369700000000 ] - [ -0.0003390800000000, 0.0016029000000000, -0.0001585300000000 ] - [ 0.0004076800000000, 0.0014890800000000, 0.0000126100000000 ] - [ 0.0013914400000000, -0.0014752700000000, -0.0016175300000000 ] - [ -0.0011469200000000, -0.0016319400000000, -0.0016293500000000 ] - [ 0.0010782000000000, 0.0025599500000000, -0.0003147300000000 ] - [ -0.0012348100000000, 0.0023546000000000, -0.0001698200000000 ] - [ 0.0000069400000000, 0.0022817200000000, -0.0015179200000000 ] - [ -0.0000185600000000, 0.0010006000000000, -0.0003302500000000 ] - [ -0.0007031400000000, -0.0095034900000000, 0.0034843600000000 ] - [ 0.0018817300000000, -0.0050335000000000, 0.0038309400000000 ] - [ -0.0000684800000000, 0.0004445900000000, -0.0005122300000000 ] - [ 0.0019154300000000, 0.0025071200000000, -0.0040907500000000 ] - [ -0.0003942000000000, -0.0039752500000000, -0.0003792200000000 ] - [ -0.0002358200000000, -0.0017901700000000, -0.0001543900000000 ] - [ 0.0002302800000000, 0.0015051500000000, 0.0004046000000000 ] - [ -0.0000955100000000, 0.0013404400000000, 0.0005528900000000 ] - [ -0.0001210000000000, 0.0010268600000000, 0.0003280000000000 ] - [ -0.0002217700000000, 0.0005814400000000, 0.0002241100000000 ] - [ -0.0004980600000000, -0.0025230500000000, 0.0005848300000000 ] - [ -0.0104904500000000, -0.0403829400000000, 0.0233352600000000 ] - [ 0.0000328900000000, 0.0005551300000000, -0.0003995400000000 ] - [ -0.0001304900000000, 0.0006101900000000, -0.0002637800000000 ] - [ 0.0002899200000000, 0.0005353900000000, -0.0000045100000000 ] - [ -0.0002262800000000, 0.0005172400000000, -0.0000200600000000 ] - [ -0.0010666200000000, -0.0024573400000000, -0.0017592200000000 ] - [ 0.0000326500000000, -0.0019608600000000, -0.0011078900000000 ] - [ 0.0003823700000000, 0.0013324200000000, 0.0010542300000000 ] - [ -0.0015364700000000, 0.0030292500000000, 0.0025916100000000 ] - [ -0.0005372300000000, 0.0005569900000000, 0.0004936600000000 ] - [ 0.0007137600000000, 0.0005487300000000, 0.0005992200000000 ] - [ 0.0028786000000000, 0.0033997800000000, 0.0017343600000000 ] - [ 0.0002035600000000, 0.0003894900000000, 0.0000732800000000 ] - [ -0.0061815600000000, -0.0020558000000000, 0.0005848000000000 ] - [ 0.0033903800000000, -0.0004034100000000, 0.0004138400000000 ] - [ 0.0002013400000000, -0.0009580600000000, 0.0001469200000000 ] - [ -0.0001176300000000, -0.0005838600000000, -0.0000399600000000 ] - [ -0.0001019600000000, 0.0004509900000000, 0.0002678000000000 ] - [ 0.0000559000000000, 0.0003621500000000, 0.0001343500000000 ] - [ 0.0000861000000000, -0.0003566400000000, 0.0000701500000000 ] - [ -0.0000498600000000, -0.0007250100000000, 0.0001635300000000 ] - [ 0.0000268800000000, -0.0000053200000000, 0.0005617100000000 ] - [ 0.0002851900000000, 0.0000022200000000, 0.0003516300000000 ] - [ 0.0266721900000000, 0.0748617900000000, -0.0624122000000000 ] - [ 0.0000601300000000, 0.0011312100000000, -0.0011470000000000 ] - [ -0.0004063400000000, -0.0013356100000000, 0.0001273900000000 ] - [ -0.0000760100000000, -0.0010524700000000, 0.0000723300000000 ] - [ 0.0003915200000000, -0.0012588900000000, 0.0001940100000000 ] - [ 0.0003196500000000, -0.0008682500000000, 0.0000430800000000 ] - [ 0.0001703200000000, -0.0008175600000000, 0.0003566400000000 ] - [ 0.0001473600000000, -0.0007872500000000, 0.0003152500000000 ] - [ 0.0001975000000000, -0.0008603800000000, -0.0002907600000000 ] - [ 0.0001639500000000, -0.0010879100000000, -0.0004252300000000 ] - [ 0.0001279400000000, 0.0006363100000000, -0.0000691700000000 ] - [ -0.0019875600000000, -0.0000016500000000, -0.0027471400000000 ] - [ -0.0006330900000000, -0.0012256300000000, -0.0009888500000000 ] - [ -0.0003607500000000, -0.0004861000000000, -0.0004955300000000 ] - [ 0.0004762600000000, 0.0004870800000000, 0.0009054000000000 ] - [ -0.0007092000000000, 0.0012240900000000, 0.0011569400000000 ] - [ -0.0028367000000000, 0.0040965200000000, 0.0043210300000000 ] - [ -0.0002599600000000, 0.0018082400000000, 0.0000510400000000 ] - [ -0.0000260900000000, -0.0006111900000000, -0.0003106500000000 ] - [ 0.0002063100000000, -0.0009257300000000, -0.0002986000000000 ] - [ -0.0032822800000000, -0.0027796700000000, 0.0025538700000000 ] - [ 0.0002585800000000, -0.0000955800000000, 0.0006359200000000 ] - [ -0.0000485700000000, 0.0023198800000000, -0.0002821700000000 ] - [ 0.0015457500000000, 0.0038802200000000, 0.0015320000000000 ] - [ 0.0008651600000000, -0.0009420300000000, 0.0004606900000000 ] - [ -0.0001595100000000, -0.0013979800000000, 0.0003995900000000 ] - [ 0.0000739600000000, -0.0004486200000000, -0.0007827400000000 ] - [ 0.0010345100000000, -0.0008357300000000, -0.0003495100000000 ] - [ -0.0001302000000000, 0.0002259900000000, 0.0002495800000000 ] - [ 0.0002108300000000, 0.0002254000000000, 0.0005234900000000 ] - [ 0.0003536600000000, 0.0004832000000000, 0.0012814200000000 ] - [ 0.0003051900000000, 0.0004824200000000, 0.0010662600000000 ] - [ -0.0009348000000000, -0.0000126700000000, 0.0005016000000000 ] - [ 0.0036958200000000, -0.0036821900000000, 0.0028309300000000 ] - [ 0.0007050100000000, -0.0022033000000000, 0.0003852000000000 ] - [ -0.0002949100000000, -0.0008837600000000, 0.0006113400000000 ] - [ -0.0002287600000000, -0.0001694700000000, 0.0002183000000000 ] - [ -0.0000179900000000, -0.0001140700000000, 0.0001309900000000 ] - [ 0.0005436300000000, 0.0010007000000000, 0.0018716400000000 ] - [ 0.0000508000000000, 0.0001989400000000, 0.0006581500000000 ] - [ 0.0022664000000000, 0.0011238800000000, -0.0000460000000000 ] - [ -0.0139750200000000, -0.0016425900000000, 0.0061971500000000 ] - [ 0.0003417100000000, -0.0008556100000000, -0.0001375600000000 ] - [ 0.0001627500000000, -0.0010641800000000, -0.0000733700000000 ] - [ 0.0002946900000000, 0.0000805000000000, 0.0000005800000000 ] - [ -0.0001698800000000, 0.0001602500000000, -0.0003950000000000 ] - [ 0.0005237800000000, -0.0028965800000000, -0.0017623700000000 ] - [ 0.0001621700000000, -0.0002112400000000, -0.0004858200000000 ] - [ 0.0002404800000000, 0.0004436500000000, -0.0004989900000000 ] - [ -0.0004733100000000, 0.0005842100000000, -0.0000650300000000 ] - [ 0.0020716300000000, -0.0090581800000000, -0.0027929300000000 ] - [ -0.0007597800000000, 0.0001080400000000, -0.0001764700000000 ] - [ -0.0003319300000000, -0.0009792300000000, 0.0001562500000000 ] - [ -0.0003016100000000, -0.0014121400000000, 0.0000550400000000 ] - [ 0.0003108300000000, -0.0000040300000000, 0.0001891000000000 ] - [ -0.0005865300000000, -0.0011457500000000, 0.0008942800000000 ] - [ -0.0068848100000000, -0.0066140900000000, 0.0214289300000000 ] - [ -0.0006044400000000, 0.0002494200000000, -0.0000071500000000 ] - [ 0.0000659200000000, -0.0011582400000000, 0.0003928200000000 ] - [ 0.0002784800000000, -0.0009999300000000, 0.0003912900000000 ] - [ 0.0001671200000000, 0.0007405800000000, -0.0006881500000000 ] - [ -0.0003674100000000, 0.0007413300000000, -0.0003146700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0064511400000000, 0.0041270200000000, 0.0038875500000000 ] - [ 0.0050172700000000, 0.0073251500000000, -0.0010236900000000 ] - [ -0.0019183900000000, 0.0026129400000000, 0.0036408100000000 ] - [ 0.0021928700000000, -0.0006299900000000, 0.0002253000000000 ] - [ 0.0001281900000000, 0.0005161600000000, -0.0002939900000000 ] - [ -0.0001013600000000, 0.0007874900000000, -0.0004119900000000 ] - [ 0.0002120500000000, 0.0013769400000000, 0.0003230500000000 ] - [ 0.0002551500000000, 0.0024395700000000, 0.0009516600000000 ] - [ -0.0005858600000000, 0.0016931600000000, -0.0006692400000000 ] - [ 0.0005430500000000, 0.0017525800000000, -0.0003614400000000 ] - [ 0.0025295800000000, 0.0010221800000000, -0.0037772900000000 ] - [ -0.0020437300000000, -0.0010245900000000, -0.0026157800000000 ] - [ 0.0008508700000000, 0.0028670400000000, 0.0005788600000000 ] - [ -0.0011279800000000, 0.0015635100000000, 0.0010426800000000 ] - [ -0.0002183100000000, 0.0026166300000000, -0.0020535800000000 ] - [ 0.0003027500000000, 0.0011006200000000, -0.0006024500000000 ] - [ 0.0120559400000000, -0.0061046700000000, -0.0011653100000000 ] - [ -0.0025230300000000, -0.0059153700000000, 0.0074405400000000 ] - [ 0.0003995400000000, 0.0010124200000000, -0.0009575000000000 ] - [ 0.0017023400000000, 0.0056742000000000, -0.0080847700000000 ] - [ -0.0019913800000000, -0.0050652300000000, -0.0074740800000000 ] - [ 0.0012784500000000, -0.0019239400000000, -0.0022903300000000 ] - [ -0.0000399600000000, 0.0008357200000000, 0.0006682900000000 ] - [ 0.0001512500000000, 0.0007307000000000, 0.0005536900000000 ] - [ -0.0002132100000000, 0.0005747000000000, 0.0003923600000000 ] - [ -0.0000434400000000, 0.0003648800000000, 0.0002248000000000 ] - [ 0.0017180500000000, -0.0018632100000000, 0.0015973700000000 ] - [ -0.0982449200000000, -0.0235224600000000, 0.1892530600000000 ] - [ 0.0000675000000000, 0.0004585300000000, -0.0005392500000000 ] - [ -0.0001905000000000, 0.0004876800000000, -0.0003191000000000 ] - [ -0.0001008400000000, 0.0004120700000000, -0.0005597800000000 ] - [ -0.0000312200000000, 0.0003113800000000, -0.0004456500000000 ] - [ -0.0032813800000000, -0.0022534800000000, -0.0040350200000000 ] - [ 0.0036151600000000, -0.0032790500000000, -0.0048586500000000 ] - [ 0.0007437300000000, 0.0012342700000000, 0.0008476100000000 ] - [ -0.0011636800000000, 0.0006396900000000, 0.0020075700000000 ] - [ 0.0007357900000000, -0.0010186000000000, -0.0016676800000000 ] - [ -0.0001528500000000, 0.0002670000000000, -0.0008574100000000 ] - [ -0.0019466500000000, -0.0032782100000000, 0.0023222300000000 ] - [ 0.0015046800000000, -0.0005334600000000, 0.0014018300000000 ] - [ -0.0037696500000000, -0.0019887900000000, -0.0014722200000000 ] - [ 0.0007512700000000, 0.0010906800000000, -0.0022499900000000 ] - [ 0.0000500000000000, -0.0002869500000000, -0.0004255700000000 ] - [ -0.0000526600000000, -0.0005063700000000, -0.0002525900000000 ] - [ 0.0001983500000000, 0.0002156400000000, 0.0013636500000000 ] - [ -0.0001284400000000, 0.0004200300000000, 0.0005087000000000 ] - [ 0.0000502400000000, -0.0002786900000000, 0.0002550200000000 ] - [ -0.0000561600000000, -0.0007870400000000, 0.0003961500000000 ] - [ 0.0000571900000000, 0.0000192100000000, 0.0008000300000000 ] - [ 0.0000679500000000, 0.0001517400000000, 0.0005682600000000 ] - [ 0.1042591000000000, 0.0635557700000000, -0.1986732500000000 ] - [ -0.0006966100000000, 0.0007125900000000, -0.0010394900000000 ] - [ -0.0004268000000000, -0.0014198800000000, 0.0001722400000000 ] - [ -0.0000800000000000, -0.0009489300000000, 0.0000040200000000 ] - [ 0.0004468900000000, -0.0010989700000000, 0.0000419400000000 ] - [ 0.0002038200000000, -0.0007898600000000, 0.0000193300000000 ] - [ 0.0002116000000000, -0.0007993600000000, 0.0004829700000000 ] - [ 0.0001518300000000, -0.0007574300000000, 0.0003782400000000 ] - [ 0.0001102700000000, -0.0007334500000000, -0.0002712100000000 ] - [ 0.0002392100000000, -0.0008690600000000, -0.0005342900000000 ] - [ -0.0029437000000000, 0.0031981900000000, -0.0002044100000000 ] - [ 0.0022436500000000, 0.0043918200000000, 0.0003401200000000 ] - [ -0.0000939400000000, -0.0003277700000000, -0.0007562400000000 ] - [ -0.0004248000000000, -0.0004125500000000, -0.0004519500000000 ] - [ 0.0013468400000000, -0.0000806700000000, 0.0010024400000000 ] - [ -0.0038529600000000, -0.0000210100000000, 0.0031493600000000 ] - [ -0.0047786300000000, -0.0016907600000000, 0.0155165800000000 ] - [ -0.0009060300000000, 0.0019080900000000, -0.0004923900000000 ] - [ -0.0001181900000000, -0.0005319400000000, -0.0002260800000000 ] - [ 0.0002284900000000, -0.0009517300000000, -0.0002175800000000 ] - [ -0.0034406600000000, -0.0040436700000000, 0.0029323600000000 ] - [ 0.0000529500000000, -0.0000950200000000, 0.0001573800000000 ] - [ -0.0034531000000000, -0.0009441100000000, 0.0022258400000000 ] - [ 0.0050050100000000, 0.0018727000000000, 0.0051028900000000 ] - [ 0.0008941400000000, -0.0011365300000000, 0.0005203700000000 ] - [ -0.0002317200000000, -0.0025279800000000, 0.0000147600000000 ] - [ -0.0001184100000000, -0.0004137800000000, -0.0009174900000000 ] - [ 0.0004605300000000, -0.0000541000000000, -0.0006853200000000 ] - [ 0.0000121900000000, -0.0000848700000000, 0.0009342200000000 ] - [ 0.0002528600000000, 0.0001909500000000, 0.0009334300000000 ] - [ 0.0010028700000000, 0.0006364100000000, 0.0031470500000000 ] - [ 0.0008415800000000, 0.0008494000000000, 0.0031507000000000 ] - [ -0.0013262700000000, -0.0007385000000000, 0.0000126100000000 ] - [ 0.0048055300000000, -0.0045915900000000, 0.0031367000000000 ] - [ 0.0013741900000000, -0.0040941200000000, 0.0004764500000000 ] - [ -0.0008900800000000, -0.0014284100000000, 0.0008833300000000 ] - [ -0.0001336900000000, -0.0000953200000000, 0.0003342000000000 ] - [ -0.0000966800000000, 0.0000002300000000, 0.0002920100000000 ] - [ 0.0009531100000000, 0.0008336500000000, 0.0036933700000000 ] - [ -0.0016955300000000, -0.0005592700000000, 0.0021507800000000 ] - [ -0.0007224800000000, 0.0005621500000000, -0.0032639200000000 ] - [ -0.0165156200000000, -0.0131834200000000, -0.0217451400000000 ] - [ 0.0003322200000000, -0.0007363800000000, -0.0002076100000000 ] - [ 0.0002465700000000, -0.0009596100000000, -0.0001319400000000 ] - [ 0.0008369700000000, 0.0004405200000000, 0.0013613300000000 ] - [ 0.0001734000000000, 0.0000443000000000, 0.0004534800000000 ] - [ 0.0006474800000000, -0.0013442500000000, -0.0026500800000000 ] - [ -0.0003341400000000, -0.0000499200000000, -0.0003505000000000 ] - [ -0.0006145900000000, 0.0001471200000000, 0.0004636800000000 ] - [ -0.0002222800000000, 0.0009915300000000, 0.0014928100000000 ] - [ -0.0001697200000000, 0.0053177700000000, -0.0022377100000000 ] - [ -0.0020863200000000, -0.0004347600000000, -0.0012933200000000 ] - [ -0.0003773000000000, -0.0009729500000000, 0.0001285800000000 ] - [ -0.0001671300000000, -0.0012527500000000, -0.0000694900000000 ] - [ 0.0003236000000000, 0.0002501300000000, -0.0005799200000000 ] - [ 0.0015931000000000, -0.0004466500000000, -0.0026209500000000 ] - [ 0.0091614400000000, -0.0233415800000000, 0.0112936300000000 ] - [ -0.0016758500000000, 0.0007784700000000, -0.0006376900000000 ] - [ 0.0001138700000000, -0.0008556700000000, 0.0002647500000000 ] - [ 0.0000484400000000, -0.0007794600000000, 0.0002910100000000 ] - [ -0.0006419900000000, 0.0028788100000000, 0.0015355400000000 ] - [ -0.0001410000000000, 0.0005960000000000, -0.0000192700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0065716000000000, -0.0032368300000000, -0.0035959800000000 ] - [ -0.0048633100000000, -0.0064130600000000, 0.0012913300000000 ] - [ 0.0016987800000000, -0.0020704200000000, -0.0034302500000000 ] - [ -0.0023059700000000, 0.0006216400000000, 0.0003326000000000 ] - [ 0.0000129300000000, -0.0014211700000000, 0.0000423400000000 ] - [ 0.0002407600000000, -0.0016896900000000, 0.0001616300000000 ] - [ -0.0001003200000000, -0.0013710000000000, -0.0009012100000000 ] - [ -0.0001396500000000, -0.0024289100000000, -0.0015223800000000 ] - [ 0.0006936200000000, -0.0016830800000000, 0.0012474500000000 ] - [ -0.0004269200000000, -0.0017446200000000, 0.0009422200000000 ] - [ -0.0026381700000000, -0.0010234000000000, 0.0031903400000000 ] - [ 0.0019382000000000, 0.0010126600000000, 0.0020277300000000 ] - [ -0.0009940500000000, -0.0019479800000000, -0.0008457300000000 ] - [ 0.0009884200000000, -0.0006430600000000, -0.0013141700000000 ] - [ 0.0000734500000000, -0.0017110700000000, 0.0023077200000000 ] - [ -0.0004416400000000, -0.0001904300000000, 0.0008526500000000 ] - [ -0.0120266200000000, 0.0051491200000000, 0.0007721500000000 ] - [ 0.0023799300000000, 0.0049854400000000, -0.0077120800000000 ] - [ -0.0002566000000000, -0.0000985600000000, 0.0007114500000000 ] - [ -0.0015514100000000, -0.0047425400000000, 0.0077924000000000 ] - [ 0.0018396700000000, 0.0041537400000000, 0.0077233600000000 ] - [ -0.0014182500000000, 0.0010070400000000, 0.0025395400000000 ] - [ 0.0001826400000000, -0.0017353600000000, -0.0004100200000000 ] - [ -0.0000109300000000, -0.0016303200000000, -0.0002948600000000 ] - [ 0.0001068400000000, -0.0012064000000000, -0.0007460300000000 ] - [ -0.0000611000000000, -0.0009967500000000, -0.0005774400000000 ] - [ -0.0015927500000000, 0.0012281200000000, -0.0012248100000000 ] - [ 0.0922003400000000, 0.0198812200000000, -0.1809769700000000 ] - [ -0.0001717500000000, -0.0010899400000000, 0.0008907100000000 ] - [ 0.0000867900000000, -0.0011198100000000, 0.0006705000000000 ] - [ 0.0002050500000000, 0.0002236000000000, 0.0002121300000000 ] - [ 0.0001361500000000, 0.0003193400000000, 0.0000974100000000 ] - [ 0.0033638900000000, 0.0016028600000000, 0.0036801100000000 ] - [ -0.0034731200000000, 0.0026425800000000, 0.0044748100000000 ] - [ -0.0006398300000000, -0.0005926500000000, -0.0004834000000000 ] - [ 0.0012590500000000, 0.0000222000000000, -0.0016357700000000 ] - [ -0.0008402500000000, 0.0016545900000000, 0.0020196000000000 ] - [ 0.0000513500000000, 0.0003717600000000, 0.0012083200000000 ] - [ 0.0018155900000000, 0.0039023200000000, -0.0026895000000000 ] - [ -0.0016074200000000, 0.0011702700000000, -0.0017663300000000 ] - [ 0.0036524200000000, 0.0019780700000000, 0.0014846800000000 ] - [ -0.0008033200000000, -0.0011221100000000, 0.0022542100000000 ] - [ 0.0000491000000000, 0.0002861700000000, 0.0004436900000000 ] - [ 0.0001522800000000, 0.0005044100000000, 0.0002730500000000 ] - [ -0.0002950700000000, -0.0002148000000000, -0.0013408400000000 ] - [ 0.0000271400000000, -0.0004170600000000, -0.0004873500000000 ] - [ 0.0000498000000000, 0.0002768900000000, -0.0002746400000000 ] - [ 0.0001546200000000, 0.0007823500000000, -0.0004145500000000 ] - [ 0.0001093400000000, 0.0004592600000000, 0.0000467800000000 ] - [ 0.0000965800000000, 0.0003282100000000, 0.0002810800000000 ] - [ -0.0981859500000000, -0.0613288800000000, 0.1911469500000000 ] - [ 0.0006739700000000, -0.0012557700000000, 0.0007088400000000 ] - [ 0.0004800800000000, 0.0007821500000000, -0.0005916300000000 ] - [ 0.0001322100000000, 0.0003126900000000, -0.0004237500000000 ] - [ 0.0001392800000000, 0.0013087500000000, 0.0001229700000000 ] - [ 0.0003819300000000, 0.0010032500000000, 0.0001464800000000 ] - [ -0.0001905400000000, 0.0002508300000000, -0.0008134800000000 ] - [ -0.0001311200000000, 0.0002091700000000, -0.0007084000000000 ] - [ -0.0000898500000000, 0.0001847600000000, 0.0006041800000000 ] - [ -0.0002186500000000, 0.0003196100000000, 0.0008663600000000 ] - [ 0.0030151000000000, -0.0025805800000000, 0.0006292800000000 ] - [ -0.0021990400000000, -0.0037880200000000, 0.0000882700000000 ] - [ 0.0000347200000000, 0.0009511000000000, 0.0003295200000000 ] - [ 0.0003692500000000, 0.0010426300000000, 0.0000268400000000 ] - [ -0.0013922600000000, -0.0005520800000000, -0.0005808900000000 ] - [ 0.0037644400000000, -0.0006353500000000, -0.0027145600000000 ] - [ 0.0042417900000000, 0.0019515800000000, -0.0155011400000000 ] - [ 0.0003136800000000, -0.0016789200000000, 0.0006672400000000 ] - [ -0.0000466200000000, 0.0000515000000000, -0.0006222300000000 ] - [ -0.0003932300000000, 0.0004713400000000, -0.0006313000000000 ] - [ 0.0028657500000000, 0.0038249400000000, -0.0027704700000000 ] - [ -0.0006409900000000, -0.0001237900000000, 0.0000202900000000 ] - [ 0.0028681000000000, 0.0011784000000000, -0.0023941700000000 ] - [ -0.0056270800000000, -0.0016414400000000, -0.0053102900000000 ] - [ -0.0003060900000000, 0.0009160500000000, -0.0006858900000000 ] - [ 0.0008098600000000, 0.0022991400000000, -0.0001869000000000 ] - [ 0.0002842900000000, 0.0008877400000000, 0.0000665500000000 ] - [ -0.0002885800000000, 0.0005235200000000, -0.0001615400000000 ] - [ -0.0000333900000000, 0.0006316900000000, -0.0006019600000000 ] - [ -0.0002744600000000, 0.0003581200000000, -0.0006028200000000 ] - [ -0.0010215600000000, -0.0011785900000000, -0.0028084100000000 ] - [ -0.0008617500000000, -0.0013921100000000, -0.0028049700000000 ] - [ 0.0007404900000000, 0.0005204900000000, -0.0001684400000000 ] - [ -0.0054254600000000, 0.0044010100000000, -0.0033228600000000 ] - [ -0.0007788400000000, 0.0038469400000000, -0.0003088200000000 ] - [ 0.0014753600000000, 0.0012086200000000, -0.0007210900000000 ] - [ 0.0000798200000000, 0.0007283400000000, 0.0000868300000000 ] - [ 0.0000447800000000, 0.0006345300000000, 0.0001278400000000 ] - [ -0.0007762300000000, -0.0013061400000000, -0.0028401100000000 ] - [ 0.0018461900000000, 0.0000732200000000, -0.0012926100000000 ] - [ 0.0008529300000000, -0.0010328900000000, 0.0024053900000000 ] - [ 0.0167108600000000, 0.0126867600000000, 0.0205872900000000 ] - [ 0.0002532200000000, 0.0009498000000000, 0.0000393100000000 ] - [ 0.0003383300000000, 0.0011719400000000, -0.0000355600000000 ] - [ -0.0008131000000000, 0.0001040600000000, -0.0016918200000000 ] - [ -0.0001545200000000, 0.0004993400000000, -0.0007867900000000 ] - [ -0.0006638200000000, 0.0018674800000000, 0.0023222200000000 ] - [ 0.0003197000000000, 0.0005900400000000, 0.0000125800000000 ] - [ 0.0004498400000000, 0.0003312800000000, -0.0013122300000000 ] - [ 0.0000545400000000, -0.0005119400000000, -0.0023317200000000 ] - [ 0.0000035500000000, -0.0047899200000000, 0.0031287400000000 ] - [ 0.0019200800000000, 0.0009131200000000, 0.0021449700000000 ] - [ 0.0004296100000000, 0.0003359100000000, 0.0002950500000000 ] - [ 0.0002202900000000, 0.0006172500000000, 0.0004944500000000 ] - [ -0.0003067400000000, 0.0002963800000000, 0.0009180700000000 ] - [ -0.0015689700000000, 0.0009961200000000, 0.0029450200000000 ] - [ -0.0092140600000000, 0.0224797500000000, -0.0115255500000000 ] - [ 0.0016132700000000, -0.0014025100000000, 0.0002057000000000 ] - [ -0.0002773200000000, 0.0003718000000000, 0.0005864600000000 ] - [ -0.0002124300000000, 0.0002977600000000, 0.0005587700000000 ] - [ 0.0006931100000000, -0.0022433300000000, -0.0019564800000000 ] - [ 0.0001943600000000, 0.0000385300000000, -0.0004012300000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004297700000000, -0.0000539000000000, 0.0004758600000000 ] - [ -0.0002837800000000, -0.0000287400000000, 0.0002992700000000 ] - [ 0.0000344100000000, -0.0025902000000000, 0.0017861300000000 ] - [ -0.0005475700000000, 0.0005787100000000, 0.0001056800000000 ] - [ -0.0034546000000000, -0.0008369800000000, 0.0064101400000000 ] - [ 0.0027447700000000, 0.0023976700000000, -0.0009447900000000 ] - [ -0.0001134000000000, -0.0007874100000000, 0.0000692300000000 ] - [ 0.0005420200000000, 0.0011340400000000, 0.0009857400000000 ] - [ 0.0006953900000000, -0.0024224100000000, 0.0031678100000000 ] - [ -0.0010327800000000, 0.0001733400000000, 0.0004025600000000 ] - [ 0.0026261300000000, -0.0006164500000000, -0.0008715000000000 ] - [ -0.0020408200000000, -0.0015398100000000, -0.0009139700000000 ] - [ 0.0123293300000000, -0.0004675400000000, 0.0048990800000000 ] - [ -0.0049370200000000, 0.0007155500000000, 0.0012454900000000 ] - [ 0.0050355900000000, -0.0012406000000000, 0.0037520400000000 ] - [ -0.0067505500000000, 0.0076774300000000, -0.0010299800000000 ] - [ 0.0003830000000000, -0.0011435000000000, -0.0000426200000000 ] - [ -0.0005558600000000, -0.0012439100000000, -0.0000226900000000 ] - [ -0.0002357400000000, -0.0010737100000000, 0.0003775900000000 ] - [ 0.0002525300000000, -0.0000811500000000, -0.0000005600000000 ] - [ 0.0000084800000000, -0.0017613300000000, -0.0000729200000000 ] - [ -0.0002235400000000, -0.0011132000000000, -0.0000438000000000 ] - [ 0.0022752200000000, 0.0009764600000000, 0.0021894200000000 ] - [ -0.0023736600000000, 0.0000975400000000, 0.0006140200000000 ] - [ -0.0002514600000000, 0.0043270700000000, 0.0085706700000000 ] - [ -0.0036839500000000, -0.0039103000000000, -0.0039039200000000 ] - [ 0.0001198700000000, -0.0006222100000000, 0.0003216100000000 ] - [ -0.0000609900000000, -0.0007895500000000, 0.0004829600000000 ] - [ 0.0801102100000000, 0.0830686400000000, -0.0163701900000000 ] - [ -0.0055168700000000, 0.0016222400000000, 0.0002176200000000 ] - [ 0.0049747700000000, 0.0002177400000000, -0.0003588900000000 ] - [ -0.0022613100000000, 0.0018574600000000, -0.0010379900000000 ] - [ 0.0003861100000000, -0.0008517500000000, -0.0004367400000000 ] - [ -0.0003643400000000, -0.0007419400000000, -0.0003928500000000 ] - [ 0.0003894800000000, 0.0010636900000000, 0.0002190000000000 ] - [ -0.0000492600000000, 0.0002969700000000, 0.0008686100000000 ] - [ 0.0002873800000000, -0.0010415900000000, -0.0002019600000000 ] - [ -0.0003870200000000, -0.0001317100000000, -0.0002550800000000 ] - [ 0.0001587000000000, 0.0002828900000000, -0.0002092100000000 ] - [ -0.0002996200000000, -0.0001027900000000, -0.0002955800000000 ] - [ -0.0003206200000000, -0.0000974800000000, -0.0000822300000000 ] - [ 0.0003370400000000, 0.0003033400000000, -0.0003313100000000 ] - [ -0.0004564300000000, -0.0002831500000000, -0.0002322800000000 ] - [ 0.0004810500000000, 0.0000307100000000, 0.0000259800000000 ] - [ -0.0005709500000000, 0.0011942600000000, 0.0005321000000000 ] - [ 0.0002393300000000, -0.0001943300000000, -0.0000119200000000 ] - [ 0.0009486000000000, 0.0014376400000000, -0.0014859000000000 ] - [ -0.0004599700000000, -0.0000188100000000, 0.0001086000000000 ] - [ -0.0030506400000000, 0.0012845700000000, 0.0071040000000000 ] - [ 0.0025770300000000, -0.0013386200000000, -0.0006263200000000 ] - [ -0.0000266700000000, 0.0001593400000000, -0.0006181500000000 ] - [ 0.0001181400000000, -0.0001716400000000, -0.0002717900000000 ] - [ -0.1106651600000000, -0.0915428600000000, 0.0245473100000000 ] - [ 0.0025852900000000, 0.0001442300000000, -0.0003082500000000 ] - [ -0.0006147000000000, -0.0002716200000000, -0.0014385700000000 ] - [ 0.0017981900000000, 0.0007692300000000, -0.0008572800000000 ] - [ -0.0150734300000000, -0.0071463400000000, -0.0093466300000000 ] - [ 0.0025550500000000, -0.0008500500000000, 0.0014696900000000 ] - [ -0.0005253600000000, 0.0002321100000000, 0.0015405100000000 ] - [ 0.0017379900000000, -0.0009627000000000, -0.0036267100000000 ] - [ -0.0000471000000000, 0.0006224500000000, 0.0002450200000000 ] - [ -0.0000466900000000, 0.0006120100000000, 0.0001677100000000 ] - [ -0.0003369600000000, -0.0001252700000000, -0.0005145500000000 ] - [ 0.0000983500000000, -0.0006354600000000, -0.0006737600000000 ] - [ -0.0003227800000000, 0.0001860500000000, 0.0002703500000000 ] - [ -0.0000421300000000, -0.0000496500000000, 0.0002660500000000 ] - [ -0.0007073800000000, 0.0014052900000000, 0.0002044600000000 ] - [ 0.0001677800000000, 0.0003874800000000, -0.0000566500000000 ] - [ 0.0180610300000000, 0.0032671000000000, -0.0130675500000000 ] - [ 0.0053227500000000, -0.0038457300000000, 0.0007973200000000 ] - [ -0.0034974500000000, 0.0080886200000000, -0.0037996700000000 ] - [ 0.0019757100000000, -0.0008469400000000, 0.0012493600000000 ] - [ -0.0005983200000000, 0.0001715900000000, -0.0002468400000000 ] - [ 0.0000106400000000, 0.0012234100000000, 0.0000775900000000 ] - [ 0.0001887100000000, 0.0006416200000000, -0.0007475700000000 ] - [ 0.0005027100000000, -0.0000664200000000, -0.0002348000000000 ] - [ -0.0003226600000000, 0.0000048300000000, -0.0005964000000000 ] - [ 0.0005853100000000, 0.0001792100000000, -0.0009924900000000 ] - [ -0.0015384600000000, -0.0017213800000000, -0.0020533300000000 ] - [ 0.0030568500000000, 0.0003758600000000, 0.0031298700000000 ] - [ -0.0001168100000000, 0.0000534900000000, 0.0003595900000000 ] - [ 0.0002467500000000, 0.0000844400000000, 0.0005683900000000 ] - [ -0.0008446800000000, -0.0028363900000000, 0.0009985300000000 ] - [ 0.0037111600000000, 0.0038164300000000, -0.0049537100000000 ] - [ -0.0002408400000000, 0.0002322400000000, -0.0003854300000000 ] - [ 0.0007351200000000, 0.0003381300000000, -0.0002001800000000 ] - [ -0.0014800100000000, -0.0013713800000000, -0.0004181200000000 ] - [ 0.0001020700000000, -0.0001855700000000, 0.0004544800000000 ] - [ -0.0000268600000000, 0.0001733600000000, 0.0005466000000000 ] - [ 0.0004194300000000, 0.0001161200000000, 0.0003698300000000 ] - [ 0.0000593000000000, -0.0000854000000000, -0.0005036900000000 ] - [ 0.0002528200000000, 0.0000639800000000, -0.0004459700000000 ] - [ -0.0004760600000000, -0.0000175600000000, -0.0014042600000000 ] - [ 0.0006571500000000, -0.0001556200000000, -0.0006183700000000 ] - [ -0.0001933800000000, 0.0008782200000000, -0.0001044600000000 ] - [ 0.0004604900000000, 0.0006075800000000, 0.0002283000000000 ] - [ -0.0002820700000000, 0.0004143300000000, -0.0008322900000000 ] - [ 0.0003673700000000, -0.0001196500000000, -0.0003313400000000 ] - [ 0.0000355600000000, 0.0008951900000000, -0.0004127400000000 ] - [ 0.0001850000000000, 0.0006070200000000, -0.0003924000000000 ] - [ -0.0002002500000000, 0.0003080500000000, 0.0003662400000000 ] - [ 0.0001882200000000, 0.0005391700000000, 0.0005297000000000 ] - [ 0.0075250200000000, 0.0026327000000000, 0.0052795000000000 ] - [ 0.0074160600000000, -0.0018278700000000, -0.0052577600000000 ] - [ 0.0000147900000000, 0.0004760900000000, 0.0000608700000000 ] - [ 0.0000407100000000, 0.0002637800000000, 0.0000962400000000 ] - [ -0.0002033800000000, 0.0000831200000000, -0.0003517700000000 ] - [ -0.0000689700000000, 0.0000294700000000, -0.0003623100000000 ] - [ -0.0037478700000000, -0.0003184600000000, -0.0044443200000000 ] - [ 0.0034510200000000, -0.0013820800000000, 0.0020401100000000 ] - [ -0.0004958100000000, 0.0011840000000000, 0.0000160000000000 ] - [ 0.0000261900000000, 0.0006558500000000, -0.0000655500000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002901700000000, 0.0009719500000000, -0.0002287100000000 ] - [ 0.0004273300000000, 0.0009417600000000, -0.0000497500000000 ] - [ -0.0001530000000000, 0.0026109200000000, -0.0012212700000000 ] - [ 0.0004430700000000, -0.0005791800000000, 0.0004734400000000 ] - [ 0.0036321300000000, -0.0000813000000000, -0.0066861500000000 ] - [ -0.0026503000000000, -0.0033247800000000, 0.0006934600000000 ] - [ 0.0002339200000000, 0.0007860200000000, -0.0006583600000000 ] - [ -0.0004374200000000, -0.0011384600000000, -0.0015772200000000 ] - [ -0.0005792100000000, 0.0024651400000000, -0.0026274400000000 ] - [ 0.0011497900000000, -0.0001812000000000, 0.0001794200000000 ] - [ -0.0027592700000000, 0.0006107500000000, 0.0002990400000000 ] - [ 0.0019476100000000, 0.0015608800000000, 0.0003384800000000 ] - [ -0.0125641400000000, 0.0012964500000000, -0.0051073700000000 ] - [ 0.0048267400000000, 0.0001991600000000, -0.0015133200000000 ] - [ -0.0058710400000000, 0.0016017500000000, -0.0037465600000000 ] - [ 0.0066383000000000, -0.0067774100000000, 0.0013050300000000 ] - [ -0.0005268800000000, 0.0002376800000000, -0.0002124100000000 ] - [ 0.0004192700000000, 0.0003411300000000, -0.0002310600000000 ] - [ 0.0003821200000000, 0.0019964400000000, -0.0006307900000000 ] - [ -0.0001146800000000, 0.0009985400000000, -0.0002507600000000 ] - [ -0.0001502800000000, 0.0008634000000000, 0.0003260700000000 ] - [ 0.0000854500000000, 0.0002090600000000, 0.0002968600000000 ] - [ -0.0021340300000000, -0.0018883700000000, -0.0019429600000000 ] - [ 0.0025225800000000, -0.0010140200000000, -0.0003708200000000 ] - [ 0.0000947500000000, -0.0049879000000000, -0.0090159800000000 ] - [ 0.0035988500000000, 0.0032448700000000, 0.0035512400000000 ] - [ -0.0000123800000000, -0.0000104400000000, 0.0000310300000000 ] - [ 0.0001662700000000, 0.0001593500000000, -0.0001319700000000 ] - [ -0.0793300600000000, -0.0812630600000000, 0.0154605500000000 ] - [ 0.0054535800000000, -0.0022800800000000, 0.0001316800000000 ] - [ -0.0048829100000000, 0.0004011500000000, -0.0000164600000000 ] - [ 0.0023799700000000, -0.0012373100000000, 0.0006949300000000 ] - [ -0.0002842700000000, 0.0002227500000000, 0.0000864100000000 ] - [ 0.0004733300000000, 0.0001124900000000, 0.0000417400000000 ] - [ -0.0002672800000000, -0.0004359600000000, 0.0001347900000000 ] - [ 0.0001447600000000, 0.0003336900000000, -0.0005225000000000 ] - [ -0.0003914500000000, 0.0016858200000000, 0.0005611000000000 ] - [ 0.0002837100000000, 0.0007693600000000, 0.0006126800000000 ] - [ -0.0002660900000000, 0.0003524700000000, -0.0001453100000000 ] - [ 0.0001976000000000, 0.0007393600000000, -0.0000579700000000 ] - [ 0.0002233800000000, 0.0001076300000000, 0.0000572600000000 ] - [ -0.0004370200000000, -0.0003063300000000, 0.0003114300000000 ] - [ 0.0005577700000000, 0.0002826100000000, 0.0002569400000000 ] - [ -0.0003841900000000, -0.0000291700000000, -0.0000015600000000 ] - [ 0.0004820700000000, -0.0012076600000000, -0.0005154100000000 ] - [ -0.0003406200000000, 0.0001945100000000, 0.0000350100000000 ] - [ -0.0008592900000000, -0.0014447300000000, 0.0014712700000000 ] - [ 0.0005670200000000, 0.0000185300000000, -0.0001341200000000 ] - [ 0.0032592400000000, -0.0007824000000000, -0.0062548700000000 ] - [ -0.0024350900000000, 0.0018301000000000, 0.0014846000000000 ] - [ 0.0000109700000000, -0.0007077000000000, 0.0002866800000000 ] - [ -0.0001368400000000, -0.0003744700000000, -0.0000615300000000 ] - [ 0.1103704900000000, 0.0889488600000000, -0.0233872800000000 ] - [ -0.0025499600000000, -0.0007853000000000, -0.0001108800000000 ] - [ 0.0012111800000000, 0.0004933100000000, 0.0016177800000000 ] - [ -0.0012158000000000, -0.0005446500000000, 0.0010263500000000 ] - [ 0.0150782000000000, 0.0064941500000000, 0.0090292900000000 ] - [ -0.0025561000000000, 0.0003169600000000, -0.0018217500000000 ] - [ 0.0005346100000000, -0.0007726000000000, -0.0011969700000000 ] - [ -0.0017289000000000, 0.0004210600000000, 0.0039931700000000 ] - [ 0.0000988500000000, 0.0000129900000000, 0.0001752600000000 ] - [ 0.0000995000000000, 0.0000221200000000, 0.0002535800000000 ] - [ 0.0002936300000000, 0.0007702700000000, 0.0000967100000000 ] - [ -0.0001554000000000, 0.0012714900000000, 0.0002514700000000 ] - [ 0.0002746300000000, -0.0008292400000000, 0.0001491300000000 ] - [ -0.0000073700000000, -0.0005919100000000, 0.0001537500000000 ] - [ 0.0001270400000000, -0.0011995300000000, -0.0000377100000000 ] - [ -0.0007570500000000, -0.0001740000000000, 0.0002257300000000 ] - [ -0.0180212900000000, -0.0034126800000000, 0.0120280500000000 ] - [ -0.0055447600000000, 0.0034051400000000, -0.0016744600000000 ] - [ 0.0029790800000000, -0.0083843200000000, 0.0040017100000000 ] - [ -0.0025791700000000, 0.0006294500000000, -0.0010892600000000 ] - [ 0.0000146000000000, 0.0000445600000000, 0.0000810500000000 ] - [ -0.0005969400000000, -0.0010166900000000, -0.0002459100000000 ] - [ 0.0003896600000000, -0.0008707000000000, 0.0005887600000000 ] - [ 0.0000844300000000, -0.0001516000000000, 0.0000677900000000 ] - [ 0.0004626400000000, 0.0004776600000000, -0.0002741000000000 ] - [ -0.0004223200000000, 0.0003025100000000, 0.0001476100000000 ] - [ 0.0015208600000000, 0.0022836400000000, 0.0023914200000000 ] - [ -0.0031054600000000, 0.0001670300000000, -0.0028268100000000 ] - [ 0.0001010800000000, -0.0006013400000000, -0.0000257000000000 ] - [ -0.0002654300000000, -0.0006332300000000, -0.0002361700000000 ] - [ 0.0002591600000000, 0.0026208100000000, -0.0011587800000000 ] - [ -0.0043379600000000, -0.0040766900000000, 0.0048492400000000 ] - [ 0.0008365300000000, -0.0004588700000000, 0.0005591000000000 ] - [ -0.0001531700000000, -0.0005569900000000, 0.0003701000000000 ] - [ 0.0014322200000000, 0.0020143200000000, 0.0008474200000000 ] - [ -0.0001486100000000, 0.0008295800000000, -0.0000385400000000 ] - [ 0.0001868200000000, -0.0006616700000000, 0.0003046900000000 ] - [ -0.0002639700000000, -0.0006035400000000, 0.0004838200000000 ] - [ 0.0000985900000000, -0.0003992400000000, -0.0003502500000000 ] - [ -0.0000946400000000, -0.0005504500000000, -0.0004080500000000 ] - [ 0.0010528300000000, 0.0002395700000000, 0.0012469200000000 ] - [ -0.0000665600000000, 0.0003757800000000, 0.0004550400000000 ] - [ 0.0002122000000000, -0.0003412400000000, -0.0002352900000000 ] - [ -0.0004463100000000, -0.0000649300000000, -0.0005676900000000 ] - [ 0.0002720600000000, 0.0001333400000000, 0.0005006000000000 ] - [ -0.0003913300000000, 0.0006650500000000, 0.0000018300000000 ] - [ -0.0001947500000000, -0.0004166800000000, -0.0004410200000000 ] - [ -0.0003428500000000, -0.0001257200000000, -0.0004628000000000 ] - [ 0.0000449900000000, 0.0001753600000000, 0.0004898400000000 ] - [ -0.0003476800000000, -0.0000571200000000, 0.0003240200000000 ] - [ -0.0073797700000000, -0.0032419900000000, -0.0047975300000000 ] - [ -0.0074889900000000, 0.0012098300000000, 0.0057855500000000 ] - [ 0.0000017300000000, 0.0000676400000000, 0.0002760200000000 ] - [ -0.0000224300000000, 0.0002804300000000, 0.0002395500000000 ] - [ 0.0001554200000000, -0.0007256600000000, -0.0000674100000000 ] - [ 0.0000184100000000, -0.0006699700000000, -0.0000571800000000 ] - [ 0.0036572000000000, -0.0001841400000000, 0.0052639200000000 ] - [ -0.0036044100000000, 0.0009091100000000, -0.0011777600000000 ] - [ 0.0005509100000000, -0.0005515600000000, -0.0004387600000000 ] - [ 0.0000261700000000, -0.0000215800000000, -0.0003567800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002004000000000, -0.0016254900000000, 0.0009498900000000 ] - [ -0.0000697900000000, -0.0009463800000000, 0.0005924000000000 ] - [ -0.0024745600000000, -0.0039871600000000, 0.0024981000000000 ] - [ 0.0018307500000000, -0.0015134600000000, 0.0006581800000000 ] - [ -0.0042969900000000, 0.0008768400000000, 0.0070648400000000 ] - [ 0.0050882700000000, 0.0049515200000000, 0.0026606000000000 ] - [ -0.0005145500000000, -0.0002365400000000, 0.0009492700000000 ] - [ 0.0009246200000000, -0.0002508100000000, 0.0006059800000000 ] - [ -0.0002210200000000, -0.0065973900000000, 0.0068962800000000 ] - [ -0.0005954400000000, -0.0001327700000000, 0.0011676800000000 ] - [ 0.0024630100000000, -0.0058111400000000, -0.0027568900000000 ] - [ -0.0015336300000000, -0.0014268400000000, -0.0010324800000000 ] - [ 0.0057870900000000, 0.0060073400000000, 0.0076795300000000 ] - [ -0.0023224300000000, 0.0023757100000000, 0.0005726200000000 ] - [ -0.0060160700000000, 0.0043405400000000, -0.0007212900000000 ] - [ 0.0022749600000000, 0.0085319100000000, -0.0053364600000000 ] - [ 0.0000631900000000, -0.0031784900000000, 0.0000253300000000 ] - [ -0.0004031400000000, -0.0022672500000000, 0.0000447400000000 ] - [ -0.0005479400000000, -0.0026021300000000, 0.0005711100000000 ] - [ 0.0004222600000000, -0.0016626500000000, 0.0000368100000000 ] - [ -0.0003054800000000, -0.0031980000000000, -0.0004490500000000 ] - [ 0.0000882500000000, -0.0026330100000000, -0.0005837500000000 ] - [ 0.0001891000000000, 0.0033973500000000, 0.0027256700000000 ] - [ -0.0002041300000000, 0.0017692400000000, 0.0010098700000000 ] - [ -0.0003063300000000, 0.0076389800000000, 0.0013732700000000 ] - [ -0.0014927400000000, 0.0016061700000000, -0.0015217200000000 ] - [ 0.0003127000000000, -0.0015772100000000, 0.0008969900000000 ] - [ -0.0003089500000000, -0.0015595900000000, 0.0010481700000000 ] - [ 0.0780818400000000, 0.1632260500000000, -0.0329651200000000 ] - [ -0.0017761800000000, 0.0013212600000000, -0.0011817200000000 ] - [ 0.0019582700000000, 0.0027780800000000, -0.0042622800000000 ] - [ -0.0015940400000000, 0.0023305600000000, -0.0010668100000000 ] - [ 0.0000510600000000, -0.0017596300000000, -0.0008613800000000 ] - [ -0.0002966700000000, -0.0012958700000000, -0.0006155800000000 ] - [ 0.0023433900000000, 0.0008793600000000, 0.0015111300000000 ] - [ -0.0008752400000000, 0.0021491600000000, 0.0016794000000000 ] - [ -0.0000016000000000, -0.0026053900000000, -0.0008741600000000 ] - [ -0.0002618000000000, -0.0009912900000000, -0.0007806200000000 ] - [ 0.0001138900000000, -0.0005995900000000, -0.0001190600000000 ] - [ -0.0003639300000000, -0.0006391500000000, -0.0001527000000000 ] - [ -0.0007060100000000, 0.0018705300000000, -0.0008537800000000 ] - [ 0.0004610800000000, 0.0002670900000000, -0.0004165200000000 ] - [ -0.0001120900000000, -0.0000706600000000, 0.0000074800000000 ] - [ 0.0001920900000000, -0.0000245300000000, -0.0001384100000000 ] - [ 0.0000338300000000, 0.0011711400000000, 0.0007659500000000 ] - [ -0.0002061600000000, 0.0000568100000000, 0.0001891900000000 ] - [ 0.0018481000000000, 0.0019838100000000, -0.0022624400000000 ] - [ -0.0010694400000000, 0.0004923700000000, -0.0001331000000000 ] - [ 0.0008533800000000, -0.0022656700000000, 0.0066559800000000 ] - [ 0.0022158000000000, -0.0017797300000000, -0.0002718900000000 ] - [ 0.0002816600000000, 0.0007495900000000, -0.0012692000000000 ] - [ 0.0000833300000000, 0.0004645700000000, -0.0007979200000000 ] - [ -0.0924645900000000, -0.1734955000000000, 0.0610061100000000 ] - [ 0.0004933000000000, -0.0015517700000000, 0.0005122500000000 ] - [ -0.0007508400000000, -0.0007935800000000, -0.0030895500000000 ] - [ 0.0015568900000000, 0.0000426700000000, -0.0012550800000000 ] - [ -0.0093554400000000, 0.0060559200000000, -0.0232229400000000 ] - [ 0.0015924900000000, -0.0008468500000000, 0.0009298300000000 ] - [ 0.0002276500000000, -0.0010831000000000, -0.0000733900000000 ] - [ -0.0001471600000000, -0.0018201500000000, -0.0001568200000000 ] - [ -0.0002693400000000, 0.0012812800000000, 0.0001876700000000 ] - [ -0.0002793200000000, 0.0012806400000000, 0.0000672700000000 ] - [ -0.0004724000000000, -0.0015926200000000, -0.0006665100000000 ] - [ -0.0009774000000000, -0.0017066700000000, -0.0013352200000000 ] - [ -0.0005339700000000, 0.0009508100000000, 0.0004413900000000 ] - [ -0.0002965500000000, 0.0004909800000000, 0.0003254300000000 ] - [ -0.0001813700000000, 0.0031257700000000, 0.0001499100000000 ] - [ -0.0002839400000000, 0.0011239400000000, 0.0002912800000000 ] - [ 0.0156624800000000, -0.0223630900000000, -0.0114258300000000 ] - [ 0.0009169200000000, -0.0034830800000000, 0.0005181800000000 ] - [ 0.0040728000000000, 0.0188744000000000, -0.0053373500000000 ] - [ 0.0004979800000000, -0.0012594000000000, 0.0011963800000000 ] - [ -0.0009232000000000, 0.0019961200000000, -0.0001905100000000 ] - [ 0.0003392200000000, 0.0017652600000000, 0.0003575100000000 ] - [ 0.0011016400000000, 0.0018340700000000, -0.0015776500000000 ] - [ 0.0001604700000000, 0.0005971700000000, -0.0004291400000000 ] - [ -0.0027024300000000, -0.0012019100000000, -0.0044831100000000 ] - [ 0.0009327800000000, -0.0007499900000000, -0.0006373000000000 ] - [ -0.0020883200000000, 0.0005889100000000, 0.0042402800000000 ] - [ 0.0028138200000000, -0.0000462700000000, 0.0030490600000000 ] - [ 0.0000346700000000, 0.0008261700000000, 0.0011026400000000 ] - [ 0.0003456500000000, 0.0003909200000000, 0.0008222900000000 ] - [ -0.0055547200000000, 0.0031451000000000, 0.0010335600000000 ] - [ 0.0034790000000000, 0.0022820900000000, -0.0035168100000000 ] - [ -0.0007535400000000, 0.0015731500000000, -0.0009025700000000 ] - [ 0.0007940900000000, 0.0007438600000000, -0.0005628800000000 ] - [ -0.0017209500000000, -0.0030788600000000, -0.0002973200000000 ] - [ -0.0005308800000000, -0.0010825600000000, 0.0002779000000000 ] - [ 0.0002706000000000, 0.0007547100000000, 0.0005262100000000 ] - [ 0.0005033400000000, 0.0005730200000000, 0.0004809800000000 ] - [ 0.0001841400000000, 0.0006647800000000, -0.0006997600000000 ] - [ 0.0004429800000000, 0.0004756100000000, -0.0004914200000000 ] - [ 0.0005471700000000, -0.0007953600000000, -0.0025168400000000 ] - [ -0.0001206800000000, -0.0003076300000000, -0.0006355600000000 ] - [ 0.0000127400000000, 0.0018257700000000, 0.0004725600000000 ] - [ 0.0006186600000000, 0.0010797100000000, 0.0005615500000000 ] - [ 0.0017650200000000, -0.0001496600000000, -0.0027292900000000 ] - [ -0.0002419700000000, -0.0001496000000000, -0.0004470900000000 ] - [ 0.0004281300000000, 0.0016464600000000, -0.0004467700000000 ] - [ 0.0003133100000000, 0.0012117000000000, -0.0002443300000000 ] - [ 0.0000729000000000, 0.0009309100000000, 0.0003739300000000 ] - [ 0.0002895700000000, 0.0008908400000000, 0.0005246500000000 ] - [ -0.0015338000000000, -0.0048679100000000, 0.0015416000000000 ] - [ 0.0029895500000000, -0.0048301300000000, -0.0023832800000000 ] - [ 0.0002052900000000, 0.0007603100000000, -0.0002447600000000 ] - [ 0.0000251900000000, 0.0007037800000000, -0.0001505200000000 ] - [ -0.0004302400000000, 0.0008350100000000, -0.0006037900000000 ] - [ -0.0003752500000000, 0.0008156800000000, -0.0006511600000000 ] - [ 0.0004241200000000, -0.0049679100000000, -0.0002808900000000 ] - [ 0.0007467500000000, -0.0015706200000000, 0.0007545900000000 ] - [ -0.0008457200000000, 0.0022831300000000, 0.0003866800000000 ] - [ -0.0003131900000000, 0.0013753900000000, 0.0001416400000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000564700000000, 0.0025332000000000, -0.0006907100000000 ] - [ 0.0002093000000000, 0.0018556100000000, -0.0003366200000000 ] - [ 0.0023480000000000, 0.0039722500000000, -0.0019058100000000 ] - [ -0.0019461100000000, 0.0015140700000000, -0.0000812200000000 ] - [ 0.0044196900000000, -0.0017835100000000, -0.0072996600000000 ] - [ -0.0049233600000000, -0.0058304200000000, -0.0029191400000000 ] - [ 0.0006249400000000, 0.0002436000000000, -0.0015177700000000 ] - [ -0.0008056300000000, 0.0002636300000000, -0.0011694700000000 ] - [ 0.0003308000000000, 0.0065552200000000, -0.0062687600000000 ] - [ 0.0007006200000000, 0.0001401200000000, -0.0005821800000000 ] - [ -0.0025587300000000, 0.0058042700000000, 0.0021700100000000 ] - [ 0.0014193500000000, 0.0014266300000000, 0.0004465300000000 ] - [ -0.0058135800000000, -0.0053898400000000, -0.0075441700000000 ] - [ 0.0021647400000000, -0.0014882300000000, -0.0008292000000000 ] - [ 0.0054294800000000, -0.0036567900000000, 0.0008753500000000 ] - [ -0.0024184400000000, -0.0076248900000000, 0.0055631200000000 ] - [ -0.0002015900000000, 0.0022623300000000, -0.0002802300000000 ] - [ 0.0002597900000000, 0.0013538900000000, -0.0002993600000000 ] - [ 0.0006846900000000, 0.0034977400000000, -0.0008165800000000 ] - [ -0.0002773600000000, 0.0025689200000000, -0.0002876900000000 ] - [ 0.0001649700000000, 0.0022807100000000, 0.0006983600000000 ] - [ -0.0002306900000000, 0.0017170900000000, 0.0008340300000000 ] - [ -0.0000301200000000, -0.0042881800000000, -0.0024289200000000 ] - [ 0.0003349400000000, -0.0026753700000000, -0.0007371900000000 ] - [ 0.0000801700000000, -0.0082063700000000, -0.0016151100000000 ] - [ 0.0013957500000000, -0.0021857400000000, 0.0011714700000000 ] - [ -0.0002065700000000, 0.0009385300000000, -0.0005423800000000 ] - [ 0.0004134200000000, 0.0009213000000000, -0.0006926400000000 ] - [ -0.0733392100000000, -0.1573702900000000, 0.0299693600000000 ] - [ 0.0016465800000000, -0.0019408800000000, 0.0015298400000000 ] - [ -0.0018227700000000, -0.0021532000000000, 0.0039005200000000 ] - [ 0.0016944900000000, -0.0017062100000000, 0.0007163300000000 ] - [ 0.0000540200000000, 0.0011209000000000, 0.0005075700000000 ] - [ 0.0003996100000000, 0.0006591100000000, 0.0002622900000000 ] - [ -0.0022427600000000, -0.0002404300000000, -0.0011573300000000 ] - [ 0.0009785600000000, -0.0015213100000000, -0.0013219400000000 ] - [ -0.0001004500000000, 0.0032203600000000, 0.0012233900000000 ] - [ 0.0001546200000000, 0.0016229400000000, 0.0011289400000000 ] - [ -0.0002175300000000, 0.0012376000000000, -0.0002371500000000 ] - [ 0.0002562100000000, 0.0012729100000000, -0.0002054500000000 ] - [ 0.0006025700000000, -0.0018651200000000, 0.0008258100000000 ] - [ -0.0005579500000000, -0.0002648700000000, 0.0003926600000000 ] - [ 0.0002082800000000, 0.0000641600000000, 0.0000103500000000 ] - [ -0.0000915400000000, 0.0000208600000000, 0.0001591800000000 ] - [ -0.0001315300000000, -0.0011693600000000, -0.0007410800000000 ] - [ 0.0001068300000000, -0.0000566200000000, -0.0001660000000000 ] - [ -0.0017290900000000, -0.0019713900000000, 0.0022170300000000 ] - [ 0.0011620600000000, -0.0004924800000000, 0.0001114600000000 ] - [ -0.0006946000000000, 0.0027935400000000, -0.0057703700000000 ] - [ -0.0020488800000000, 0.0022598700000000, 0.0011209900000000 ] - [ -0.0002998600000000, -0.0012925200000000, 0.0009314500000000 ] - [ -0.0001016300000000, -0.0010088200000000, 0.0004623600000000 ] - [ 0.0880786600000000, 0.1672272400000000, -0.0580006100000000 ] - [ -0.0004343800000000, 0.0009182300000000, -0.0009299000000000 ] - [ 0.0013267600000000, 0.0010054600000000, 0.0032251000000000 ] - [ -0.0009641200000000, 0.0001709800000000, 0.0014143200000000 ] - [ 0.0093148000000000, -0.0064803500000000, 0.0225962800000000 ] - [ -0.0015637700000000, 0.0002935900000000, -0.0012523200000000 ] - [ -0.0002087000000000, 0.0005281400000000, 0.0003992200000000 ] - [ 0.0001869300000000, 0.0012649000000000, 0.0004591700000000 ] - [ 0.0003221900000000, -0.0006441800000000, 0.0002348500000000 ] - [ 0.0003318900000000, -0.0006447600000000, 0.0003547000000000 ] - [ 0.0004210700000000, 0.0022282500000000, 0.0002369100000000 ] - [ 0.0009281600000000, 0.0023442200000000, 0.0009117000000000 ] - [ 0.0004796200000000, -0.0015844400000000, -0.0000207800000000 ] - [ 0.0002440800000000, -0.0011273300000000, 0.0000951500000000 ] - [ -0.0004049000000000, -0.0028957100000000, 0.0000188100000000 ] - [ -0.0003000500000000, -0.0009044100000000, -0.0001234100000000 ] - [ -0.0157880100000000, 0.0215583400000000, 0.0105362700000000 ] - [ -0.0010487600000000, 0.0029923200000000, -0.0013599400000000 ] - [ -0.0047018600000000, -0.0192933700000000, 0.0055693700000000 ] - [ -0.0010742300000000, 0.0010436900000000, -0.0010197100000000 ] - [ 0.0003351800000000, -0.0017769200000000, 0.0000230100000000 ] - [ -0.0009221700000000, -0.0015436600000000, -0.0005233800000000 ] - [ -0.0005116600000000, -0.0020450800000000, 0.0013969400000000 ] - [ 0.0004250800000000, -0.0008166100000000, 0.0002587300000000 ] - [ 0.0028760100000000, 0.0016973600000000, 0.0036511200000000 ] - [ -0.0007691400000000, 0.0012350500000000, -0.0002200700000000 ] - [ 0.0020782400000000, -0.0000508800000000, -0.0039382500000000 ] - [ -0.0028466800000000, 0.0005884300000000, -0.0027282900000000 ] - [ -0.0000533600000000, -0.0013691400000000, -0.0007660300000000 ] - [ -0.0003632500000000, -0.0009351400000000, -0.0004851600000000 ] - [ 0.0049861000000000, -0.0033918700000000, -0.0011920000000000 ] - [ -0.0040526100000000, -0.0025043800000000, 0.0033575900000000 ] - [ 0.0013317000000000, -0.0017868300000000, 0.0010607200000000 ] - [ -0.0002044800000000, -0.0009616200000000, 0.0007238200000000 ] - [ 0.0016627000000000, 0.0037053900000000, 0.0007185200000000 ] - [ 0.0004823900000000, 0.0017236100000000, 0.0001405700000000 ] - [ -0.0001085300000000, -0.0012342000000000, 0.0003242100000000 ] - [ -0.0003389700000000, -0.0010519600000000, 0.0003696200000000 ] - [ -0.0000220500000000, -0.0011446000000000, -0.0001533500000000 ] - [ -0.0002798100000000, -0.0009559800000000, -0.0003614200000000 ] - [ 0.0000386300000000, 0.0010018300000000, 0.0023278200000000 ] - [ 0.0007041800000000, 0.0005227300000000, 0.0004578000000000 ] - [ 0.0000039400000000, -0.0012734700000000, -0.0008075200000000 ] - [ -0.0005960600000000, -0.0005319500000000, -0.0008946500000000 ] - [ -0.0017855900000000, 0.0006986500000000, 0.0023914600000000 ] - [ 0.0002266500000000, 0.0006969300000000, 0.0001090000000000 ] - [ -0.0005871300000000, -0.0011580900000000, -0.0004060300000000 ] - [ -0.0004728200000000, -0.0007270300000000, -0.0006071400000000 ] - [ -0.0002357900000000, -0.0004501300000000, 0.0004785700000000 ] - [ -0.0004496300000000, -0.0004082700000000, 0.0003290000000000 ] - [ 0.0015060800000000, 0.0041970500000000, -0.0011500900000000 ] - [ -0.0028824200000000, 0.0042346000000000, 0.0027817100000000 ] - [ -0.0001871800000000, -0.0002159400000000, 0.0005801800000000 ] - [ -0.0000070400000000, -0.0001605400000000, 0.0004849500000000 ] - [ 0.0003767800000000, -0.0014690700000000, 0.0001809200000000 ] - [ 0.0003228500000000, -0.0014497800000000, 0.0002279700000000 ] - [ -0.0005624600000000, 0.0044639200000000, 0.0010084000000000 ] - [ -0.0009185900000000, 0.0010816300000000, 0.0000885900000000 ] - [ 0.0008916400000000, -0.0016362200000000, -0.0008052700000000 ] - [ 0.0003658100000000, -0.0007372100000000, -0.0005620600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000670000000000, 0.0009229700000000, -0.0007625600000000 ] - [ 0.0000709300000000, 0.0006855900000000, -0.0003016700000000 ] - [ 0.0014529000000000, 0.0014977700000000, 0.0000972800000000 ] - [ -0.0011500900000000, 0.0008909800000000, 0.0005623500000000 ] - [ 0.0032604600000000, 0.0003642100000000, -0.0052462700000000 ] - [ -0.0040812000000000, -0.0000346400000000, -0.0044259100000000 ] - [ 0.0002552400000000, -0.0002507200000000, -0.0015924200000000 ] - [ -0.0003718500000000, -0.0010044900000000, -0.0022205000000000 ] - [ 0.0010830700000000, 0.0045362500000000, -0.0039402200000000 ] - [ 0.0001146800000000, 0.0002541500000000, -0.0004372500000000 ] - [ -0.0006786300000000, 0.0005174300000000, 0.0022860600000000 ] - [ -0.0000565400000000, -0.0000530500000000, 0.0001958700000000 ] - [ -0.0004892500000000, 0.0014163300000000, 0.0082710200000000 ] - [ 0.0010778000000000, 0.0018336200000000, 0.0006560100000000 ] - [ 0.0043594000000000, 0.0003101300000000, 0.0124618300000000 ] - [ 0.0014634500000000, -0.0038976500000000, 0.0050669000000000 ] - [ 0.0000225600000000, 0.0004810900000000, 0.0002198800000000 ] - [ -0.0000161400000000, -0.0000768500000000, 0.0000234700000000 ] - [ 0.0004338500000000, 0.0013609400000000, -0.0003912700000000 ] - [ -0.0001127000000000, 0.0012024100000000, -0.0003874700000000 ] - [ -0.0000175800000000, 0.0000096600000000, 0.0006581800000000 ] - [ -0.0001788600000000, 0.0000448400000000, 0.0006126800000000 ] - [ -0.0016579700000000, -0.0026077200000000, -0.0060758600000000 ] - [ 0.0008579100000000, -0.0011024900000000, -0.0019156200000000 ] - [ 0.0078991300000000, -0.0042485800000000, -0.0014606700000000 ] - [ -0.0011586300000000, -0.0026433000000000, -0.0008236800000000 ] - [ -0.0002141200000000, 0.0002427400000000, -0.0002789300000000 ] - [ 0.0001783300000000, 0.0000959700000000, -0.0003013900000000 ] - [ -0.0144469600000000, -0.0326924600000000, 0.0420823200000000 ] - [ -0.0000923400000000, -0.0007042600000000, 0.0022733000000000 ] - [ 0.0028285200000000, -0.0017830700000000, -0.0034943300000000 ] - [ 0.0005641900000000, -0.0000323000000000, -0.0005675800000000 ] - [ 0.0001388800000000, -0.0002156900000000, -0.0001966100000000 ] - [ 0.0001172400000000, -0.0002345400000000, -0.0002659600000000 ] - [ -0.0018306200000000, 0.0003213000000000, -0.0015605800000000 ] - [ 0.0003724200000000, -0.0003993800000000, -0.0019165800000000 ] - [ 0.0001239800000000, 0.0011780800000000, 0.0010189500000000 ] - [ -0.0000983600000000, 0.0008131200000000, 0.0006840100000000 ] - [ -0.0000062400000000, 0.0001406900000000, 0.0000214100000000 ] - [ 0.0000054300000000, 0.0003253600000000, -0.0000044500000000 ] - [ 0.0004498700000000, -0.0019021200000000, 0.0006099500000000 ] - [ -0.0001803700000000, -0.0001305000000000, -0.0000278100000000 ] - [ 0.0002458900000000, 0.0005709900000000, 0.0005196900000000 ] - [ -0.0001222200000000, 0.0002394100000000, 0.0002545600000000 ] - [ -0.0000012000000000, 0.0002340800000000, -0.0005148500000000 ] - [ -0.0001174900000000, 0.0001532000000000, -0.0001824800000000 ] - [ -0.0003379600000000, -0.0006935600000000, 0.0001515900000000 ] - [ 0.0008407600000000, -0.0004744500000000, 0.0000440600000000 ] - [ 0.0025366600000000, 0.0049304200000000, 0.0089606200000000 ] - [ -0.0009597800000000, 0.0011020600000000, 0.0008347400000000 ] - [ -0.0002270400000000, -0.0006117800000000, 0.0002184600000000 ] - [ 0.0000336000000000, -0.0005560800000000, 0.0000494700000000 ] - [ 0.0235490500000000, 0.0588765700000000, -0.0925643200000000 ] - [ -0.0000735100000000, 0.0004036500000000, -0.0013363000000000 ] - [ 0.0006467000000000, 0.0004883400000000, 0.0028251800000000 ] - [ -0.0005438100000000, -0.0001638700000000, 0.0012635300000000 ] - [ -0.0054853800000000, -0.0215707500000000, 0.0111870300000000 ] - [ -0.0007827200000000, -0.0004734000000000, -0.0005882500000000 ] - [ 0.0001346700000000, 0.0004278600000000, 0.0009561900000000 ] - [ -0.0020584000000000, 0.0006905200000000, 0.0031051000000000 ] - [ 0.0000689400000000, 0.0001746000000000, 0.0001127000000000 ] - [ -0.0000095100000000, 0.0002956000000000, 0.0001128200000000 ] - [ 0.0002792500000000, 0.0007740500000000, 0.0018378600000000 ] - [ 0.0004418200000000, 0.0014505700000000, 0.0009681000000000 ] - [ 0.0000358300000000, -0.0005528700000000, 0.0002666700000000 ] - [ 0.0000307000000000, -0.0004359800000000, 0.0002843100000000 ] - [ -0.0003647200000000, -0.0007638500000000, -0.0002736300000000 ] - [ -0.0001702400000000, -0.0001714200000000, -0.0002393100000000 ] - [ -0.0148179000000000, -0.0039005700000000, 0.0039794100000000 ] - [ 0.0015600000000000, -0.0002433600000000, -0.0015982400000000 ] - [ -0.0034787500000000, -0.0074504400000000, -0.0026060200000000 ] - [ -0.0004264500000000, 0.0001477700000000, -0.0009511000000000 ] - [ -0.0001854500000000, -0.0004590800000000, -0.0004255400000000 ] - [ -0.0004942200000000, -0.0001773000000000, -0.0004385500000000 ] - [ -0.0005679100000000, -0.0011986000000000, 0.0009908000000000 ] - [ 0.0003101200000000, -0.0001983300000000, 0.0003711300000000 ] - [ 0.0027200500000000, 0.0007204100000000, 0.0034533400000000 ] - [ -0.0002299800000000, 0.0002154300000000, 0.0001060600000000 ] - [ -0.0012569800000000, 0.0032212900000000, 0.0002974100000000 ] - [ -0.0002184600000000, 0.0005528300000000, -0.0002478900000000 ] - [ -0.0000373200000000, -0.0004281300000000, -0.0001174400000000 ] - [ -0.0000222000000000, -0.0003256100000000, 0.0000822200000000 ] - [ 0.0024374700000000, -0.0021111700000000, -0.0031974700000000 ] - [ -0.0000919800000000, 0.0003085600000000, -0.0020130000000000 ] - [ 0.0010596500000000, -0.0008660900000000, 0.0010945200000000 ] - [ 0.0001304900000000, -0.0003259700000000, 0.0004773800000000 ] - [ -0.0006553600000000, -0.0001828800000000, 0.0024330300000000 ] - [ 0.0002205700000000, 0.0003890600000000, 0.0007544400000000 ] - [ 0.0000291700000000, -0.0003999800000000, 0.0004345200000000 ] - [ -0.0000000800000000, -0.0004008600000000, 0.0004300400000000 ] - [ 0.0000961000000000, -0.0006698500000000, -0.0002447200000000 ] - [ -0.0000274900000000, -0.0004182000000000, -0.0003590500000000 ] - [ 0.0004308100000000, 0.0004732300000000, 0.0022246600000000 ] - [ 0.0006989000000000, 0.0000471700000000, 0.0013277100000000 ] - [ -0.0001320500000000, -0.0005144000000000, -0.0007084600000000 ] - [ -0.0001358800000000, -0.0000169300000000, -0.0004067000000000 ] - [ -0.0015922200000000, -0.0002083200000000, 0.0015878000000000 ] - [ 0.0002207200000000, 0.0001664100000000, 0.0000239700000000 ] - [ -0.0002294400000000, -0.0001601200000000, -0.0005405900000000 ] - [ -0.0001271900000000, -0.0000744700000000, -0.0005799100000000 ] - [ -0.0000852300000000, 0.0002176100000000, 0.0004618000000000 ] - [ -0.0001018200000000, 0.0001956900000000, 0.0003897600000000 ] - [ 0.0055664900000000, 0.0022689500000000, 0.0001355400000000 ] - [ -0.0050342600000000, -0.0016717600000000, 0.0001388200000000 ] - [ 0.0000335800000000, 0.0002623500000000, 0.0002891900000000 ] - [ -0.0000001800000000, 0.0003508000000000, 0.0002475800000000 ] - [ 0.0001175000000000, -0.0007143300000000, 0.0000232000000000 ] - [ 0.0001285400000000, -0.0007624600000000, 0.0000279400000000 ] - [ -0.0046744100000000, 0.0049610300000000, 0.0152022600000000 ] - [ 0.0006215700000000, -0.0000812700000000, 0.0009680900000000 ] - [ 0.0002551600000000, -0.0002803600000000, -0.0005772200000000 ] - [ 0.0001716000000000, -0.0000335100000000, -0.0004001200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002068600000000, -0.0000066200000000, 0.0010120400000000 ] - [ 0.0000711000000000, 0.0002295300000000, 0.0005529800000000 ] - [ -0.0015454800000000, -0.0014846000000000, 0.0004819600000000 ] - [ 0.0010224500000000, -0.0008836300000000, 0.0000239400000000 ] - [ -0.0030971400000000, -0.0012746000000000, 0.0049403700000000 ] - [ 0.0042109100000000, -0.0008880600000000, 0.0041492100000000 ] - [ -0.0001435000000000, 0.0002499600000000, 0.0010056200000000 ] - [ 0.0004845000000000, 0.0009967600000000, 0.0016313700000000 ] - [ -0.0009820300000000, -0.0045197700000000, 0.0044925100000000 ] - [ 0.0000055300000000, -0.0002516500000000, 0.0010109600000000 ] - [ 0.0005598500000000, -0.0005087500000000, -0.0028499500000000 ] - [ -0.0000575100000000, 0.0000479000000000, -0.0007747300000000 ] - [ 0.0005791500000000, -0.0009911700000000, -0.0079030600000000 ] - [ -0.0012138100000000, -0.0009199000000000, -0.0008999000000000 ] - [ -0.0044664300000000, 0.0005636100000000, -0.0120514300000000 ] - [ -0.0015843800000000, 0.0047597700000000, -0.0047823100000000 ] - [ -0.0001625500000000, -0.0013785300000000, -0.0004687900000000 ] - [ -0.0001242400000000, -0.0008290900000000, -0.0002756400000000 ] - [ -0.0002905900000000, -0.0004364600000000, 0.0001307700000000 ] - [ 0.0002534800000000, -0.0002860600000000, 0.0001306200000000 ] - [ -0.0001223600000000, -0.0009129200000000, -0.0004007900000000 ] - [ 0.0000365500000000, -0.0009481100000000, -0.0003546700000000 ] - [ 0.0017798600000000, 0.0016681500000000, 0.0062864100000000 ] - [ -0.0007098200000000, 0.0001830900000000, 0.0021598200000000 ] - [ -0.0079406000000000, 0.0035898000000000, 0.0011378700000000 ] - [ 0.0010568800000000, 0.0019977300000000, 0.0004793900000000 ] - [ 0.0003136500000000, -0.0008730200000000, 0.0006281600000000 ] - [ -0.0000717400000000, -0.0007286000000000, 0.0006510900000000 ] - [ 0.0148824000000000, 0.0326997700000000, -0.0417778100000000 ] - [ -0.0000126500000000, 0.0000647000000000, -0.0019072800000000 ] - [ -0.0027526900000000, 0.0024190400000000, 0.0031283800000000 ] - [ -0.0004550100000000, 0.0006713000000000, 0.0002074700000000 ] - [ -0.0000341100000000, -0.0004182300000000, -0.0001570500000000 ] - [ -0.0000126000000000, -0.0004010500000000, -0.0000883800000000 ] - [ 0.0019083800000000, 0.0003145200000000, 0.0019014800000000 ] - [ -0.0002553400000000, 0.0010319000000000, 0.0022601900000000 ] - [ -0.0002314700000000, -0.0005271100000000, -0.0006629500000000 ] - [ -0.0000037100000000, -0.0001710300000000, -0.0003256200000000 ] - [ -0.0000981300000000, 0.0004981900000000, -0.0003730100000000 ] - [ -0.0001085500000000, 0.0003156200000000, -0.0003473700000000 ] - [ -0.0005440400000000, 0.0018753000000000, -0.0006224900000000 ] - [ 0.0000777100000000, 0.0001296300000000, 0.0000069500000000 ] - [ -0.0001435400000000, -0.0005667900000000, -0.0005000200000000 ] - [ 0.0002210100000000, -0.0002384900000000, -0.0002342700000000 ] - [ -0.0001015100000000, -0.0002326200000000, 0.0005328000000000 ] - [ 0.0000184700000000, -0.0001521600000000, 0.0002010800000000 ] - [ 0.0004322100000000, 0.0006806000000000, -0.0001556900000000 ] - [ -0.0007394300000000, 0.0004729700000000, -0.0000613700000000 ] - [ -0.0024295200000000, -0.0045102500000000, -0.0082438400000000 ] - [ 0.0011091400000000, -0.0006129400000000, 0.0000235600000000 ] - [ 0.0002057800000000, 0.0000646300000000, -0.0005461300000000 ] - [ -0.0000507800000000, 0.0000095000000000, -0.0003791200000000 ] - [ -0.0243740600000000, -0.0600800400000000, 0.0913584000000000 ] - [ 0.0001241900000000, -0.0010357400000000, 0.0009095400000000 ] - [ -0.0000609200000000, -0.0002660200000000, -0.0026425600000000 ] - [ 0.0011215600000000, 0.0003800800000000, -0.0010854900000000 ] - [ 0.0055965400000000, 0.0213989800000000, -0.0116339900000000 ] - [ 0.0007952400000000, -0.0000698000000000, 0.0002547400000000 ] - [ -0.0001118500000000, -0.0009668400000000, -0.0006265900000000 ] - [ 0.0020617500000000, -0.0012229700000000, -0.0027586900000000 ] - [ -0.0000164400000000, 0.0004595200000000, 0.0003071200000000 ] - [ 0.0000609200000000, 0.0003401900000000, 0.0003073900000000 ] - [ -0.0003331000000000, -0.0001324300000000, -0.0022493700000000 ] - [ -0.0004842100000000, -0.0007987400000000, -0.0013788300000000 ] - [ -0.0000859300000000, -0.0000883000000000, 0.0001548800000000 ] - [ -0.0000818900000000, -0.0002036400000000, 0.0001373000000000 ] - [ -0.0002222200000000, 0.0009701700000000, 0.0004386500000000 ] - [ -0.0004131900000000, 0.0003869600000000, 0.0004031800000000 ] - [ 0.0147308200000000, 0.0035826800000000, -0.0047582500000000 ] - [ -0.0017102500000000, -0.0002383800000000, 0.0007433500000000 ] - [ 0.0028556000000000, 0.0071501400000000, 0.0027184400000000 ] - [ -0.0001615700000000, -0.0003582100000000, 0.0011069800000000 ] - [ -0.0003974900000000, 0.0006705800000000, 0.0002557300000000 ] - [ -0.0000945500000000, 0.0003933100000000, 0.0002685100000000 ] - [ 0.0011561500000000, 0.0009774200000000, -0.0011519800000000 ] - [ 0.0002738900000000, -0.0000212100000000, -0.0005351100000000 ] - [ -0.0025334700000000, -0.0002281900000000, -0.0042680900000000 ] - [ 0.0003780100000000, 0.0002720900000000, -0.0009610100000000 ] - [ 0.0012562600000000, -0.0026822100000000, 0.0000461700000000 ] - [ 0.0002059100000000, -0.0000060200000000, 0.0005862200000000 ] - [ 0.0000187800000000, -0.0001184200000000, 0.0004471000000000 ] - [ 0.0000029700000000, -0.0002185100000000, 0.0002493000000000 ] - [ -0.0029944600000000, 0.0018815700000000, 0.0029949800000000 ] - [ -0.0004957800000000, -0.0005151100000000, 0.0018239700000000 ] - [ -0.0004712400000000, 0.0006449100000000, -0.0009229800000000 ] - [ 0.0004528600000000, 0.0001043000000000, -0.0003055900000000 ] - [ 0.0006097200000000, 0.0008306500000000, -0.0019995800000000 ] - [ -0.0002730300000000, 0.0002493600000000, -0.0003296100000000 ] - [ 0.0001269200000000, -0.0000850600000000, 0.0004194800000000 ] - [ 0.0001559200000000, -0.0000840100000000, 0.0004236500000000 ] - [ 0.0000616300000000, 0.0001819200000000, -0.0006078700000000 ] - [ 0.0001825000000000, -0.0000671400000000, -0.0004954200000000 ] - [ 0.0001632200000000, -0.0002466200000000, -0.0023754600000000 ] - [ -0.0001140800000000, 0.0001715100000000, -0.0014876400000000 ] - [ 0.0001522000000000, 0.0010532900000000, 0.0003769400000000 ] - [ 0.0001504700000000, 0.0005568900000000, 0.0000713400000000 ] - [ 0.0015558800000000, 0.0007483400000000, -0.0019050300000000 ] - [ -0.0002334100000000, 0.0003776600000000, -0.0003583700000000 ] - [ 0.0000710100000000, 0.0006360900000000, -0.0003127000000000 ] - [ -0.0000314700000000, 0.0005539900000000, -0.0002743000000000 ] - [ -0.0000725000000000, 0.0002632400000000, 0.0003925000000000 ] - [ -0.0000564300000000, 0.0002848600000000, 0.0004637100000000 ] - [ -0.0054756600000000, -0.0028943500000000, 0.0002638500000000 ] - [ 0.0050428800000000, 0.0010225700000000, 0.0002670500000000 ] - [ -0.0000149800000000, 0.0002795500000000, 0.0000423000000000 ] - [ 0.0000184300000000, 0.0001922700000000, 0.0000836600000000 ] - [ -0.0001675300000000, 0.0000727900000000, -0.0004420200000000 ] - [ -0.0001773400000000, 0.0001188300000000, -0.0004458600000000 ] - [ 0.0044250800000000, -0.0053413600000000, -0.0140417500000000 ] - [ -0.0007801800000000, -0.0003967200000000, -0.0001164200000000 ] - [ -0.0001996900000000, 0.0009100300000000, 0.0001534100000000 ] - [ -0.0001189900000000, 0.0006675300000000, -0.0000226000000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020125700000000, -0.0013822600000000, 0.0009997300000000 ] - [ -0.0021853500000000, 0.0019656800000000, -0.0006366300000000 ] - [ 0.0002641700000000, -0.0002218600000000, 0.0001133900000000 ] - [ -0.0003750400000000, 0.0005342500000000, 0.0008034600000000 ] - [ -0.0071094400000000, 0.0040185200000000, -0.0041646500000000 ] - [ 0.0271958000000000, 0.0139316400000000, -0.0122959100000000 ] - [ -0.0061109400000000, -0.0043212900000000, 0.0031535800000000 ] - [ 0.0237060800000000, -0.0028290400000000, 0.0058209600000000 ] - [ 0.0275585500000000, 0.0091368400000000, 0.0135973600000000 ] - [ -0.0067632200000000, 0.0040577300000000, 0.0026351400000000 ] - [ 0.0001732000000000, 0.0001535000000000, -0.0002843800000000 ] - [ -0.0003035900000000, -0.0003321200000000, -0.0000125200000000 ] - [ 0.0011792700000000, 0.0016202500000000, 0.0011277400000000 ] - [ -0.0011287100000000, -0.0000630500000000, 0.0002681100000000 ] - [ 0.0015473600000000, -0.0007829700000000, 0.0013380200000000 ] - [ -0.0015419100000000, 0.0007808300000000, 0.0002813700000000 ] - [ 0.0002473000000000, -0.0004099400000000, -0.0003842700000000 ] - [ -0.0005435600000000, -0.0001698100000000, -0.0000528300000000 ] - [ -0.0021882500000000, -0.0012092600000000, -0.0004052200000000 ] - [ 0.0024330400000000, 0.0025402400000000, 0.0006499200000000 ] - [ 0.0007309300000000, -0.0003427000000000, 0.0000049100000000 ] - [ -0.0007333900000000, -0.0007798700000000, 0.0000321100000000 ] - [ 0.0250168200000000, -0.0057352200000000, -0.0099052600000000 ] - [ -0.0070298600000000, -0.0046853900000000, -0.0047226200000000 ] - [ 0.0051136500000000, -0.0023710900000000, -0.0016369800000000 ] - [ -0.0027167800000000, 0.0010722000000000, 0.0010569400000000 ] - [ -0.0001436200000000, -0.0003806200000000, 0.0001355700000000 ] - [ 0.0003049900000000, -0.0000378000000000, 0.0001985600000000 ] - [ -0.0003840300000000, 0.0012906400000000, -0.0007474600000000 ] - [ -0.0038242400000000, -0.0000238600000000, 0.0009292600000000 ] - [ 0.0047207600000000, 0.0022551900000000, -0.0030306700000000 ] - [ -0.0025657200000000, -0.0012019800000000, 0.0015704000000000 ] - [ 0.0005649900000000, -0.0005224900000000, -0.0003807500000000 ] - [ -0.0005069400000000, -0.0002376900000000, 0.0000648300000000 ] - [ -0.0037980500000000, 0.0010704000000000, -0.0010266000000000 ] - [ -0.0003051100000000, -0.0005355500000000, -0.0011757100000000 ] - [ -0.0009639100000000, -0.0011927200000000, -0.0017345500000000 ] - [ -0.0006801600000000, 0.0010587500000000, 0.0004640500000000 ] - [ 0.0031333000000000, 0.0010614800000000, -0.0021403700000000 ] - [ -0.0013274100000000, -0.0001070000000000, 0.0000971300000000 ] - [ -0.0002248600000000, -0.0003290600000000, -0.0001547600000000 ] - [ 0.0001170800000000, 0.0000441300000000, 0.0000708500000000 ] - [ -0.0022527600000000, 0.0030611700000000, -0.0037412700000000 ] - [ 0.0019200100000000, -0.0001634800000000, 0.0003786900000000 ] - [ -0.0002462700000000, 0.0001033200000000, 0.0000298700000000 ] - [ 0.0001310300000000, 0.0000443900000000, -0.0000951100000000 ] - [ 0.0026823100000000, 0.0000594700000000, 0.0012382200000000 ] - [ 0.0009461300000000, -0.0020603500000000, -0.0023472200000000 ] - [ -0.0045883700000000, 0.0039378500000000, 0.0008724500000000 ] - [ 0.0023937700000000, -0.0012298600000000, 0.0000039500000000 ] - [ -0.0001933600000000, -0.0003680100000000, -0.0000138900000000 ] - [ 0.0001425500000000, -0.0002964000000000, -0.0002577200000000 ] - [ -0.0008874800000000, -0.0013544600000000, 0.0001429300000000 ] - [ 0.0015296000000000, 0.0009383300000000, -0.0010401400000000 ] - [ -0.1568250600000000, -0.0121702000000000, 0.0092918100000000 ] - [ 0.0081258100000000, 0.0002204800000000, -0.0001966300000000 ] - [ -0.0016398200000000, -0.0028206300000000, 0.0043157300000000 ] - [ 0.0019167800000000, -0.0002395500000000, 0.0004454600000000 ] - [ 0.0029734900000000, -0.0000279800000000, -0.0029913300000000 ] - [ -0.0007252200000000, 0.0015793100000000, 0.0054864900000000 ] - [ 0.0002329000000000, 0.0004530800000000, 0.0001908600000000 ] - [ -0.0000759300000000, -0.0004843100000000, 0.0010681900000000 ] - [ -0.0032364900000000, 0.0047514000000000, 0.0029740300000000 ] - [ 0.0022517100000000, 0.0011024900000000, -0.0000777900000000 ] - [ -0.0003326000000000, 0.0003078300000000, 0.0003138500000000 ] - [ 0.0002808100000000, -0.0009517300000000, 0.0000094100000000 ] - [ -0.0006110600000000, 0.0001738600000000, 0.0000964600000000 ] - [ 0.0000539900000000, 0.0000518800000000, 0.0000455700000000 ] - [ 0.0002432700000000, -0.0009453300000000, -0.0000823800000000 ] - [ 0.0048572800000000, -0.0008329600000000, -0.0076905300000000 ] - [ -0.0009851300000000, -0.0002639700000000, -0.0002163100000000 ] - [ 0.0001931200000000, 0.0000429500000000, -0.0001108300000000 ] - [ -0.0002779800000000, 0.0000449700000000, -0.0001602400000000 ] - [ -0.0003306900000000, 0.0000849700000000, -0.0000467100000000 ] - [ 0.0023051200000000, 0.0042256600000000, -0.0026982900000000 ] - [ 0.0023215900000000, -0.0046349900000000, -0.0025642200000000 ] - [ 0.0055097600000000, -0.0075199300000000, -0.0013177300000000 ] - [ 0.0000640100000000, 0.0006571100000000, 0.0001623500000000 ] - [ -0.0004169700000000, -0.0001826200000000, 0.0006909600000000 ] - [ 0.0000581300000000, 0.0008406600000000, -0.0004297100000000 ] - [ -0.0000392200000000, -0.0001398100000000, 0.0002145300000000 ] - [ 0.0000349700000000, -0.0003176000000000, 0.0001300700000000 ] - [ -0.0001474700000000, -0.0003429700000000, -0.0003848200000000 ] - [ -0.0002615700000000, 0.0001040900000000, -0.0002582500000000 ] - [ -0.0072208000000000, -0.0008056700000000, -0.0027660000000000 ] - [ 0.0030483500000000, -0.0001287900000000, 0.0008267800000000 ] - [ -0.0005824700000000, -0.0049515100000000, 0.0029266000000000 ] - [ 0.0040090500000000, 0.0040925700000000, 0.0004131600000000 ] - [ -0.0004991200000000, -0.0004708300000000, 0.0004537200000000 ] - [ 0.0006533500000000, 0.0001595300000000, 0.0003236000000000 ] - [ 0.0001421200000000, -0.0001714800000000, -0.0004544600000000 ] - [ -0.0000083500000000, -0.0005869000000000, -0.0004651900000000 ] - [ 0.0328350000000000, 0.0003765800000000, 0.0011055100000000 ] - [ 0.0322156000000000, -0.0003243600000000, 0.0015576300000000 ] - [ -0.0015713300000000, 0.0032887600000000, 0.0029931400000000 ] - [ 0.0007947300000000, -0.0002817600000000, -0.0005125100000000 ] - [ -0.0006768400000000, 0.0006864400000000, 0.0009153800000000 ] - [ 0.0013541400000000, -0.0003252200000000, -0.0013558300000000 ] - [ 0.0004171500000000, 0.0009572300000000, -0.0004134500000000 ] - [ -0.0001173400000000, -0.0002904500000000, -0.0005064700000000 ] - [ -0.0015941300000000, -0.0000259200000000, -0.0001624800000000 ] - [ 0.0007969900000000, 0.0004532600000000, 0.0009261400000000 ] - [ 0.0003832500000000, -0.0007346700000000, -0.0001996000000000 ] - [ -0.0007396900000000, -0.0000654600000000, 0.0000757700000000 ] - [ 0.0004901800000000, 0.0009171200000000, -0.0008660300000000 ] - [ -0.0012421800000000, -0.0037283200000000, 0.0052670700000000 ] - [ -0.0004395400000000, -0.0004363200000000, -0.0001356300000000 ] - [ 0.0004371800000000, -0.0003273100000000, -0.0003305000000000 ] - [ -0.0046587300000000, 0.0006090400000000, -0.0034223700000000 ] - [ 0.0021593800000000, -0.0008986400000000, 0.0017149500000000 ] - [ -0.0005152300000000, 0.0013657700000000, 0.0005585200000000 ] - [ 0.0004687800000000, -0.0001784100000000, -0.0003694300000000 ]- atom: 55 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018476900000000, 0.0023163800000000, -0.0007564500000000 ] - [ 0.0023237800000000, -0.0010646900000000, 0.0008876500000000 ] - [ -0.0003786000000000, 0.0002172000000000, 0.0004626400000000 ] - [ 0.0002617800000000, -0.0005308600000000, -0.0002207600000000 ] - [ 0.0072393100000000, -0.0048814800000000, 0.0038666200000000 ] - [ -0.0275890700000000, -0.0157174500000000, 0.0128926600000000 ] - [ 0.0062291100000000, 0.0042680400000000, -0.0037024900000000 ] - [ -0.0242345700000000, 0.0035877700000000, -0.0070153800000000 ] - [ -0.0268881300000000, -0.0083764300000000, -0.0123394200000000 ] - [ 0.0068777600000000, -0.0041102600000000, -0.0020865200000000 ] - [ -0.0002850200000000, -0.0001531700000000, -0.0002980700000000 ] - [ 0.0001882700000000, 0.0003338500000000, -0.0005709500000000 ] - [ -0.0013087000000000, -0.0007072300000000, -0.0013749900000000 ] - [ 0.0009771200000000, 0.0009773200000000, -0.0005231900000000 ] - [ -0.0016937200000000, 0.0016949200000000, -0.0010938700000000 ] - [ 0.0014056700000000, 0.0001316900000000, -0.0000307800000000 ] - [ -0.0003867200000000, -0.0005020900000000, 0.0001308300000000 ] - [ 0.0004015800000000, -0.0007450600000000, -0.0001998000000000 ] - [ 0.0023328800000000, 0.0021148800000000, 0.0001534600000000 ] - [ -0.0023125800000000, -0.0016149400000000, -0.0008837300000000 ] - [ -0.0008722500000000, -0.0005704900000000, 0.0002478000000000 ] - [ 0.0005926000000000, -0.0001332400000000, 0.0002191600000000 ] - [ -0.0242114900000000, 0.0040196900000000, 0.0093114000000000 ] - [ 0.0071768600000000, 0.0038263600000000, 0.0050252000000000 ] - [ -0.0052203500000000, 0.0017331100000000, 0.0012647700000000 ] - [ 0.0026189200000000, -0.0017027700000000, -0.0014092000000000 ] - [ 0.0002501500000000, -0.0002519500000000, 0.0002221400000000 ] - [ -0.0002055200000000, -0.0005955500000000, 0.0001538000000000 ] - [ 0.0003009300000000, -0.0019448600000000, 0.0011110700000000 ] - [ 0.0037134800000000, -0.0006029200000000, -0.0005715900000000 ] - [ -0.0046137600000000, -0.0016311900000000, 0.0026783500000000 ] - [ 0.0026627800000000, 0.0018369900000000, -0.0019210900000000 ] - [ -0.0004610100000000, -0.0001073000000000, 0.0000266300000000 ] - [ 0.0006088100000000, -0.0003940900000000, -0.0004196300000000 ] - [ 0.0039002500000000, -0.0004369400000000, 0.0013870900000000 ] - [ 0.0003838400000000, 0.0011632600000000, 0.0015005600000000 ] - [ 0.0008551000000000, 0.0018218100000000, 0.0020830000000000 ] - [ 0.0005693700000000, -0.0004282300000000, -0.0001091800000000 ] - [ -0.0032558100000000, -0.0004297800000000, 0.0017895800000000 ] - [ 0.0012258400000000, 0.0007388900000000, -0.0004529800000000 ] - [ 0.0001189200000000, 0.0003286600000000, 0.0001461800000000 ] - [ -0.0002189500000000, -0.0000430200000000, -0.0000767400000000 ] - [ 0.0023357500000000, -0.0030815300000000, 0.0037734500000000 ] - [ -0.0018140500000000, 0.0001655600000000, -0.0003734700000000 ] - [ 0.0001420900000000, -0.0001034800000000, -0.0000212900000000 ] - [ -0.0002351600000000, -0.0000451600000000, 0.0001037100000000 ] - [ -0.0025939200000000, -0.0000566200000000, -0.0012533400000000 ] - [ -0.0008275700000000, 0.0020599500000000, 0.0023392400000000 ] - [ 0.0047575500000000, -0.0034578300000000, -0.0000240100000000 ] - [ -0.0022289800000000, 0.0017006800000000, 0.0008513400000000 ] - [ 0.0001768900000000, -0.0001750900000000, -0.0003189300000000 ] - [ -0.0001583100000000, -0.0002464300000000, -0.0000773000000000 ] - [ 0.0009410900000000, 0.0007263700000000, -0.0005672800000000 ] - [ -0.0014818700000000, -0.0015796500000000, 0.0006230700000000 ] - [ 0.1573965000000000, 0.0125393100000000, -0.0092212300000000 ] - [ -0.0075401700000000, 0.0000000400000000, 0.0003647000000000 ] - [ 0.0016163500000000, 0.0022922100000000, -0.0047015800000000 ] - [ -0.0018984700000000, -0.0003049300000000, -0.0007718500000000 ] - [ -0.0029631000000000, -0.0005157000000000, 0.0033271600000000 ] - [ 0.0007533400000000, -0.0021271000000000, -0.0051484500000000 ] - [ -0.0001827900000000, 0.0001852900000000, 0.0002290500000000 ] - [ 0.0001273900000000, 0.0011262100000000, -0.0006536800000000 ] - [ 0.0032374900000000, -0.0040265700000000, -0.0033625100000000 ] - [ -0.0023050100000000, -0.0004730800000000, -0.0003451200000000 ] - [ 0.0002784100000000, -0.0009473700000000, 0.0001041400000000 ] - [ -0.0003286100000000, 0.0003128200000000, 0.0004114800000000 ] - [ 0.0000240400000000, 0.0000452600000000, 0.0000726700000000 ] - [ -0.0006393800000000, 0.0001656500000000, 0.0001230000000000 ] - [ -0.0004192700000000, 0.0004709800000000, -0.0007569800000000 ] - [ -0.0050325400000000, 0.0003598200000000, 0.0068432300000000 ] - [ 0.0003981900000000, 0.0000468500000000, 0.0003864500000000 ] - [ -0.0007781300000000, -0.0002616400000000, 0.0002790900000000 ] - [ -0.0003091800000000, 0.0001727900000000, -0.0000075700000000 ] - [ -0.0002542900000000, 0.0001344500000000, -0.0001199300000000 ] - [ -0.0017380500000000, -0.0044361400000000, 0.0025342700000000 ] - [ -0.0017214400000000, 0.0044253500000000, 0.0023940900000000 ] - [ -0.0053249400000000, 0.0079732100000000, 0.0004653500000000 ] - [ 0.0001177700000000, -0.0001939500000000, -0.0010067800000000 ] - [ 0.0004032000000000, 0.0007234100000000, -0.0003529200000000 ] - [ -0.0000718800000000, -0.0003010300000000, 0.0007684200000000 ] - [ 0.0000226600000000, -0.0004035700000000, 0.0001204200000000 ] - [ -0.0000502100000000, -0.0002252000000000, 0.0002064800000000 ] - [ -0.0004411200000000, 0.0001251000000000, 0.0002175900000000 ] - [ -0.0003225600000000, -0.0003219600000000, 0.0000918700000000 ] - [ 0.0078089900000000, 0.0004626600000000, 0.0029239300000000 ] - [ -0.0024631900000000, -0.0000757600000000, -0.0006582400000000 ] - [ 0.0005195000000000, 0.0055862000000000, -0.0025028000000000 ] - [ -0.0040413900000000, -0.0034426600000000, 0.0000115200000000 ] - [ 0.0006555100000000, -0.0000126200000000, 0.0003973300000000 ] - [ -0.0004954600000000, -0.0006409100000000, 0.0005289300000000 ] - [ 0.0000115600000000, -0.0003147400000000, -0.0003988500000000 ] - [ 0.0001695800000000, 0.0001085300000000, -0.0003865300000000 ] - [ -0.0316310600000000, -0.0001497600000000, -0.0012429300000000 ] - [ -0.0322504600000000, 0.0005444600000000, -0.0017314300000000 ] - [ 0.0015719800000000, -0.0027252300000000, -0.0033108800000000 ] - [ -0.0007772800000000, 0.0008298000000000, 0.0001842400000000 ] - [ 0.0006539000000000, -0.0001369200000000, -0.0012354200000000 ] - [ -0.0013619600000000, 0.0008634100000000, 0.0010122500000000 ] - [ -0.0005745900000000, -0.0004742100000000, -0.0004392000000000 ] - [ -0.0000345100000000, 0.0007737600000000, -0.0003532100000000 ] - [ 0.0014452700000000, 0.0005074400000000, 0.0010223900000000 ] - [ -0.0009560400000000, 0.0000302700000000, -0.0000727900000000 ] - [ -0.0003377200000000, 0.0000934800000000, 0.0006156100000000 ] - [ 0.0007915800000000, -0.0005708200000000, 0.0003455600000000 ] - [ -0.0004843000000000, -0.0003703000000000, 0.0011982400000000 ] - [ 0.0012625600000000, 0.0043039600000000, -0.0049665700000000 ] - [ 0.0003930900000000, -0.0002093900000000, -0.0002805100000000 ] - [ -0.0004895900000000, -0.0003079900000000, -0.0000899700000000 ] - [ 0.0044881600000000, -0.0010848500000000, 0.0042744500000000 ] - [ -0.0023209500000000, 0.0004159100000000, -0.0008703800000000 ] - [ 0.0005650000000000, -0.0007227900000000, -0.0009750700000000 ] - [ -0.0004170900000000, 0.0008169900000000, -0.0000494700000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039292400000000, -0.0047681000000000, 0.0038369000000000 ] - [ 0.0020674200000000, -0.0010374100000000, 0.0009827700000000 ] - [ -0.0001466700000000, -0.0035915800000000, -0.0006501000000000 ] - [ -0.0000653900000000, -0.0025610200000000, -0.0001061200000000 ] - [ 0.0009764400000000, 0.0036447900000000, 0.0003632400000000 ] - [ 0.0141224300000000, 0.0313408300000000, -0.0131862900000000 ] - [ -0.0013990100000000, 0.0044704200000000, 0.0004026300000000 ] - [ -0.0061212900000000, 0.0222614900000000, -0.0078899200000000 ] - [ 0.0087270800000000, 0.0295029300000000, 0.0136205100000000 ] - [ 0.0014341700000000, 0.0044022200000000, 0.0002059200000000 ] - [ 0.0000376000000000, -0.0030565200000000, 0.0000778600000000 ] - [ -0.0001676300000000, -0.0025241700000000, -0.0001749900000000 ] - [ 0.0006250800000000, -0.0005846400000000, -0.0024615000000000 ] - [ -0.0007145000000000, -0.0002936200000000, -0.0016109200000000 ] - [ -0.0000055600000000, -0.0012699900000000, 0.0021502300000000 ] - [ 0.0001503400000000, -0.0000349900000000, 0.0007592600000000 ] - [ -0.0006039200000000, -0.0033686600000000, 0.0002638800000000 ] - [ 0.0003152500000000, -0.0030240300000000, 0.0001885800000000 ] - [ -0.0017070600000000, -0.0012822100000000, -0.0006487100000000 ] - [ 0.0040433000000000, -0.0044625100000000, -0.0045535600000000 ] - [ 0.0001135700000000, -0.0033571200000000, -0.0001314100000000 ] - [ -0.0004254300000000, -0.0028362500000000, -0.0004019200000000 ] - [ -0.0085451900000000, 0.0212678700000000, 0.0111549100000000 ] - [ -0.0011826300000000, 0.0037675700000000, 0.0002664100000000 ] - [ -0.0019409000000000, 0.0031580800000000, 0.0001125100000000 ] - [ 0.0002521100000000, 0.0004685700000000, -0.0001834800000000 ] - [ -0.0005799100000000, -0.0020031200000000, 0.0008799600000000 ] - [ 0.0005648600000000, -0.0026176400000000, 0.0016623500000000 ] - [ 0.0002470200000000, 0.0008500500000000, -0.0009412600000000 ] - [ -0.0038011600000000, 0.0028526300000000, -0.0004157700000000 ] - [ 0.0010703900000000, -0.0039977500000000, 0.0025900200000000 ] - [ -0.0013259100000000, -0.0016715000000000, 0.0019352700000000 ] - [ -0.0001967600000000, -0.0026520300000000, -0.0011496000000000 ] - [ 0.0001261700000000, -0.0019726800000000, -0.0011525500000000 ] - [ 0.0032821300000000, -0.0006674800000000, 0.0003884400000000 ] - [ -0.0044901300000000, -0.0026149900000000, -0.0063737400000000 ] - [ -0.0018836200000000, -0.0015433200000000, -0.0019098100000000 ] - [ 0.0007642200000000, 0.0000107500000000, -0.0001212400000000 ] - [ -0.0010924300000000, -0.0011132400000000, 0.0022123700000000 ] - [ -0.0004021200000000, -0.0000678100000000, 0.0000573100000000 ] - [ -0.0001518900000000, 0.0011432800000000, 0.0001481600000000 ] - [ 0.0001587400000000, 0.0011717600000000, 0.0003330500000000 ] - [ 0.0023282200000000, -0.0006035400000000, -0.0052047600000000 ] - [ -0.0008517400000000, -0.0009967100000000, -0.0003733400000000 ] - [ 0.0000053200000000, 0.0011423400000000, -0.0001642500000000 ] - [ -0.0000803600000000, 0.0008606500000000, -0.0000652400000000 ] - [ 0.0037945200000000, -0.0016184600000000, 0.0015850100000000 ] - [ -0.0023598500000000, -0.0015600600000000, 0.0022328100000000 ] - [ -0.0011411200000000, 0.0026920700000000, -0.0013576600000000 ] - [ 0.0009675500000000, -0.0001133000000000, -0.0002855000000000 ] - [ 0.0003638400000000, 0.0011021800000000, -0.0013773100000000 ] - [ 0.0003959600000000, 0.0007104600000000, -0.0010679200000000 ] - [ -0.0003536700000000, -0.0012125300000000, 0.0001636800000000 ] - [ 0.0006791900000000, -0.0003844600000000, -0.0004817400000000 ] - [ -0.0119975700000000, -0.1286060000000000, 0.0021353800000000 ] - [ 0.0004024800000000, -0.0024360900000000, -0.0000106400000000 ] - [ -0.0025668700000000, -0.0042739300000000, -0.0020252100000000 ] - [ 0.0011235800000000, -0.0019778200000000, 0.0016172500000000 ] - [ -0.0021163700000000, -0.0024829800000000, 0.0012300900000000 ] - [ 0.0008618000000000, -0.0040583800000000, -0.0015715900000000 ] - [ -0.0000165300000000, 0.0010253000000000, 0.0001226600000000 ] - [ -0.0007305800000000, 0.0022588400000000, -0.0008785100000000 ] - [ 0.0081598300000000, 0.0192782800000000, 0.0070415000000000 ] - [ -0.0007614000000000, -0.0008259500000000, -0.0004621100000000 ] - [ -0.0000866700000000, 0.0015671700000000, 0.0007759100000000 ] - [ -0.0011477100000000, 0.0013337700000000, 0.0004954500000000 ] - [ -0.0003561400000000, 0.0021067000000000, 0.0000680700000000 ] - [ -0.0002359500000000, 0.0017310000000000, 0.0000875200000000 ] - [ -0.0002090600000000, -0.0011256900000000, -0.0003138800000000 ] - [ 0.0055502800000000, -0.0018180400000000, -0.0090197500000000 ] - [ -0.0004465600000000, 0.0011650000000000, 0.0004268400000000 ] - [ -0.0001415200000000, 0.0010280000000000, 0.0003908000000000 ] - [ -0.0002282200000000, 0.0018157900000000, -0.0000225700000000 ] - [ -0.0002687600000000, 0.0020427400000000, 0.0001478700000000 ] - [ 0.0048277700000000, 0.0014873000000000, -0.0027780300000000 ] - [ -0.0040433100000000, 0.0014851900000000, 0.0026470500000000 ] - [ -0.0040281400000000, 0.0062571500000000, 0.0004212900000000 ] - [ 0.0034115100000000, -0.0015392200000000, 0.0019175700000000 ] - [ -0.0011569200000000, 0.0015658800000000, -0.0022397200000000 ] - [ -0.0001265800000000, 0.0011074400000000, -0.0008571600000000 ] - [ 0.0003980100000000, 0.0009072500000000, 0.0012386700000000 ] - [ 0.0002586800000000, 0.0006976300000000, 0.0010149400000000 ] - [ -0.0005264200000000, 0.0010288000000000, -0.0001263200000000 ] - [ -0.0000801000000000, 0.0011280900000000, -0.0001266000000000 ] - [ 0.0009332800000000, 0.0244709500000000, 0.0000451400000000 ] - [ 0.0003190400000000, -0.0009988100000000, -0.0001333600000000 ] - [ -0.0027408500000000, 0.0035830300000000, -0.0017839600000000 ] - [ 0.0039239800000000, 0.0027175400000000, 0.0006218000000000 ] - [ 0.0005858900000000, 0.0013335800000000, 0.0007240300000000 ] - [ 0.0003786200000000, 0.0006793600000000, 0.0006304700000000 ] - [ 0.0011266300000000, 0.0015454200000000, -0.0006412200000000 ] - [ -0.0001500300000000, 0.0006688500000000, -0.0007582400000000 ] - [ -0.0002399100000000, -0.0116378500000000, -0.0042902000000000 ] - [ 0.0006516700000000, -0.0116350000000000, 0.0029003100000000 ] - [ -0.0000625100000000, 0.0029589700000000, 0.0037644400000000 ] - [ 0.0000285000000000, 0.0002517600000000, -0.0001890100000000 ] - [ -0.0013300100000000, 0.0023657600000000, 0.0037850200000000 ] - [ -0.0008691000000000, 0.0010523100000000, 0.0011491700000000 ] - [ 0.0010149400000000, 0.0013058800000000, -0.0005151100000000 ] - [ -0.0007940200000000, 0.0005327800000000, 0.0006677300000000 ] - [ 0.0004520600000000, 0.0012618300000000, -0.0000625100000000 ] - [ 0.0000018300000000, 0.0006084300000000, 0.0002103900000000 ] - [ -0.0002412600000000, -0.0007348800000000, 0.0002721500000000 ] - [ -0.0001007900000000, -0.0012144400000000, -0.0001479600000000 ] - [ 0.0009393300000000, 0.0001670900000000, -0.0004566800000000 ] - [ 0.0005796600000000, 0.0038644900000000, -0.0043257300000000 ] - [ -0.0013300400000000, 0.0026944200000000, -0.0010793400000000 ] - [ -0.0003049900000000, 0.0006913800000000, -0.0004892900000000 ] - [ 0.0023314200000000, -0.0020075000000000, 0.0037524600000000 ] - [ -0.0000310100000000, -0.0009290800000000, 0.0003192300000000 ] - [ -0.0003207400000000, 0.0020016900000000, 0.0005460300000000 ] - [ -0.0004220200000000, 0.0011713300000000, 0.0000040900000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0040325000000000, 0.0056780900000000, -0.0035541000000000 ] - [ -0.0019192400000000, 0.0019556800000000, -0.0007342400000000 ] - [ 0.0000338900000000, 0.0035948000000000, 0.0012403300000000 ] - [ -0.0000463100000000, 0.0025567900000000, 0.0006864500000000 ] - [ -0.0008171600000000, -0.0045905900000000, -0.0005867800000000 ] - [ -0.0148202900000000, -0.0328027200000000, 0.0137834000000000 ] - [ 0.0015276500000000, -0.0044312600000000, -0.0010005800000000 ] - [ 0.0054854300000000, -0.0216314100000000, 0.0066722300000000 ] - [ -0.0078040700000000, -0.0287395300000000, -0.0122209100000000 ] - [ -0.0013386900000000, -0.0043644700000000, 0.0003940100000000 ] - [ -0.0001518000000000, 0.0030532400000000, -0.0006595600000000 ] - [ 0.0000560800000000, 0.0025209300000000, -0.0004036800000000 ] - [ -0.0007719800000000, 0.0014837300000000, 0.0022180300000000 ] - [ 0.0005790800000000, 0.0011982700000000, 0.0013672900000000 ] - [ -0.0001402800000000, 0.0021749000000000, -0.0019042800000000 ] - [ -0.0002882200000000, 0.0009354800000000, -0.0005052200000000 ] - [ 0.0004604200000000, 0.0024588200000000, -0.0005125600000000 ] - [ -0.0004540000000000, 0.0021166900000000, -0.0004361500000000 ] - [ 0.0018404600000000, 0.0021986200000000, 0.0004012800000000 ] - [ -0.0038626400000000, 0.0053675900000000, 0.0042710400000000 ] - [ -0.0002535700000000, 0.0024462900000000, 0.0003798200000000 ] - [ 0.0002824700000000, 0.0019254200000000, 0.0006506600000000 ] - [ 0.0094324800000000, -0.0226925900000000, -0.0115876500000000 ] - [ 0.0013092600000000, -0.0047218300000000, -0.0000517200000000 ] - [ 0.0018396600000000, -0.0038116000000000, -0.0004859000000000 ] - [ -0.0003537400000000, -0.0010969700000000, -0.0001707700000000 ] - [ 0.0006796500000000, 0.0013713900000000, -0.0005255700000000 ] - [ -0.0004570300000000, 0.0019884500000000, -0.0013010900000000 ] - [ -0.0003359300000000, -0.0015065300000000, 0.0013034100000000 ] - [ 0.0037095300000000, -0.0034940700000000, 0.0007748500000000 ] - [ -0.0009668700000000, 0.0046372300000000, -0.0029613000000000 ] - [ 0.0014349000000000, 0.0022970800000000, -0.0022891000000000 ] - [ 0.0002980800000000, 0.0020146700000000, 0.0007906100000000 ] - [ -0.0000205800000000, 0.0013401100000000, 0.0007941600000000 ] - [ -0.0031764400000000, 0.0012922200000000, -0.0000319400000000 ] - [ 0.0045990400000000, 0.0031930000000000, 0.0067487800000000 ] - [ 0.0017778100000000, 0.0021726600000000, 0.0022588000000000 ] - [ -0.0008646200000000, 0.0006284400000000, 0.0004798000000000 ] - [ 0.0009854000000000, 0.0017532400000000, -0.0025655800000000 ] - [ 0.0003014000000000, 0.0007051100000000, -0.0004189000000000 ] - [ 0.0000501500000000, -0.0011420800000000, -0.0001580100000000 ] - [ -0.0002653000000000, -0.0011730400000000, -0.0003456600000000 ] - [ -0.0022290200000000, 0.0005648300000000, 0.0052252200000000 ] - [ 0.0009484600000000, 0.0009926300000000, 0.0003838800000000 ] - [ -0.0001089900000000, -0.0011416000000000, 0.0001742500000000 ] - [ -0.0000229600000000, -0.0008594900000000, 0.0000742000000000 ] - [ -0.0036603500000000, 0.0016067200000000, -0.0015839000000000 ] - [ 0.0024668300000000, 0.0015466800000000, -0.0022457000000000 ] - [ 0.0012839800000000, -0.0021989800000000, 0.0022214200000000 ] - [ -0.0008194300000000, 0.0006070200000000, 0.0011412900000000 ] - [ -0.0003763300000000, -0.0016434700000000, 0.0010345000000000 ] - [ -0.0004099400000000, -0.0012527800000000, 0.0007291100000000 ] - [ 0.0004102400000000, 0.0005875600000000, -0.0005891900000000 ] - [ -0.0006353700000000, -0.0002550600000000, 0.0000632900000000 ] - [ 0.0127135800000000, 0.1284274800000000, -0.0022032000000000 ] - [ 0.0001826000000000, 0.0026535000000000, 0.0001785200000000 ] - [ 0.0025493200000000, 0.0037534700000000, 0.0016204000000000 ] - [ -0.0011133900000000, 0.0014375100000000, -0.0019658900000000 ] - [ 0.0021440900000000, 0.0019532100000000, -0.0008965900000000 ] - [ -0.0008400700000000, 0.0035202000000000, 0.0019390700000000 ] - [ 0.0000679500000000, -0.0003891300000000, 0.0002987200000000 ] - [ 0.0007809500000000, -0.0016211100000000, 0.0012964200000000 ] - [ -0.0083123400000000, -0.0188916700000000, -0.0075584500000000 ] - [ 0.0007159000000000, 0.0014765700000000, 0.0000450000000000 ] - [ 0.0000413000000000, -0.0022047600000000, -0.0003548800000000 ] - [ 0.0010933500000000, -0.0019742300000000, -0.0000763700000000 ] - [ -0.0002283100000000, -0.0018877800000000, 0.0000986900000000 ] - [ -0.0003506700000000, -0.0015114900000000, 0.0000793000000000 ] - [ 0.0000446000000000, 0.0006499200000000, -0.0005401900000000 ] - [ -0.0057265700000000, 0.0013278900000000, 0.0082161800000000 ] - [ -0.0001365900000000, -0.0013796100000000, -0.0002611500000000 ] - [ -0.0004470000000000, -0.0012456600000000, -0.0002249700000000 ] - [ -0.0003569800000000, -0.0015957400000000, -0.0001456300000000 ] - [ -0.0003189600000000, -0.0018242100000000, -0.0003179800000000 ] - [ -0.0042319500000000, -0.0017220400000000, 0.0026069200000000 ] - [ 0.0046194700000000, -0.0017240800000000, -0.0028198400000000 ] - [ 0.0041663600000000, -0.0057563800000000, -0.0012708100000000 ] - [ -0.0032875100000000, 0.0020487800000000, -0.0027893500000000 ] - [ 0.0011453700000000, -0.0010229900000000, 0.0025839400000000 ] - [ 0.0001096600000000, -0.0005636400000000, 0.0011914900000000 ] - [ -0.0004103000000000, -0.0014480500000000, -0.0008970200000000 ] - [ -0.0002731100000000, -0.0012396000000000, -0.0006751900000000 ] - [ -0.0000591300000000, -0.0012445600000000, -0.0000417900000000 ] - [ -0.0005068300000000, -0.0013443000000000, -0.0000449200000000 ] - [ -0.0003346000000000, -0.0242573100000000, 0.0001235600000000 ] - [ 0.0002669300000000, 0.0007660200000000, 0.0003005400000000 ] - [ 0.0027170900000000, -0.0029544500000000, 0.0022076200000000 ] - [ -0.0039677500000000, -0.0020692200000000, -0.0002031100000000 ] - [ -0.0004297900000000, -0.0018154100000000, 0.0001332900000000 ] - [ -0.0002251200000000, -0.0011654400000000, 0.0002259300000000 ] - [ -0.0009668500000000, -0.0020251700000000, -0.0002158200000000 ] - [ 0.0002987800000000, -0.0011577600000000, -0.0001018900000000 ] - [ 0.0006298500000000, 0.0118534000000000, 0.0041171700000000 ] - [ 0.0001263400000000, 0.0118561000000000, -0.0030616200000000 ] - [ 0.0000771300000000, -0.0024139500000000, -0.0041007600000000 ] - [ -0.0000138700000000, 0.0002844700000000, -0.0001563100000000 ] - [ 0.0013279400000000, -0.0018354100000000, -0.0041523900000000 ] - [ 0.0008505100000000, -0.0005067700000000, -0.0014843100000000 ] - [ -0.0011672100000000, -0.0008215800000000, -0.0003407200000000 ] - [ 0.0006332600000000, -0.0000528900000000, -0.0015153000000000 ] - [ -0.0006048500000000, -0.0007828600000000, 0.0009156900000000 ] - [ -0.0001592900000000, -0.0001273400000000, 0.0006459400000000 ] - [ 0.0002889000000000, 0.0000963600000000, 0.0001463800000000 ] - [ 0.0001553700000000, 0.0005837400000000, 0.0005705000000000 ] - [ -0.0009263700000000, 0.0003658100000000, 0.0007983300000000 ] - [ -0.0005629700000000, -0.0033194400000000, 0.0046628400000000 ] - [ 0.0012754200000000, -0.0033265100000000, 0.0006554800000000 ] - [ 0.0002573300000000, -0.0013357600000000, 0.0000701400000000 ] - [ -0.0024947500000000, 0.0015381300000000, -0.0028972000000000 ] - [ -0.0001216800000000, 0.0004458600000000, 0.0005424800000000 ] - [ 0.0003695600000000, -0.0013594300000000, -0.0009639100000000 ] - [ 0.0004722000000000, -0.0005350100000000, -0.0004250400000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0019011700000000, 0.0020407100000000, 0.0031843100000000 ] - [ -0.0014075700000000, 0.0013960000000000, 0.0004647100000000 ] - [ -0.0000407600000000, -0.0000959800000000, -0.0004304000000000 ] - [ 0.0000165100000000, -0.0003028000000000, -0.0004643200000000 ] - [ -0.0002267800000000, -0.0007157200000000, 0.0030870200000000 ] - [ -0.0141702800000000, -0.0175915700000000, 0.0284498500000000 ] - [ 0.0013024300000000, 0.0015122500000000, 0.0021827600000000 ] - [ 0.0051098300000000, -0.0051977800000000, 0.0231529700000000 ] - [ 0.0123078400000000, 0.0122864200000000, 0.0291181800000000 ] - [ 0.0008046600000000, -0.0016192700000000, 0.0032088500000000 ] - [ -0.0001166700000000, 0.0004162400000000, -0.0008475600000000 ] - [ -0.0000742000000000, 0.0005371400000000, -0.0008893600000000 ] - [ -0.0001735800000000, -0.0008387300000000, -0.0039602400000000 ] - [ -0.0006711700000000, -0.0000352700000000, -0.0017514400000000 ] - [ 0.0005041500000000, 0.0025092300000000, -0.0028160500000000 ] - [ -0.0001840000000000, 0.0020313100000000, -0.0014022700000000 ] - [ 0.0001643700000000, 0.0000115900000000, -0.0009990100000000 ] - [ -0.0005917800000000, -0.0000803800000000, -0.0006944800000000 ] - [ -0.0010392700000000, -0.0009242100000000, 0.0002871600000000 ] - [ 0.0010500900000000, -0.0005706000000000, 0.0021631100000000 ] - [ 0.0002230900000000, -0.0005826300000000, -0.0007324500000000 ] - [ -0.0000490000000000, -0.0007903600000000, -0.0004168100000000 ] - [ -0.0097563500000000, 0.0040535200000000, 0.0226534700000000 ] - [ -0.0005245000000000, -0.0005581700000000, 0.0029274100000000 ] - [ -0.0005243200000000, -0.0033381200000000, -0.0065650400000000 ] - [ 0.0006320600000000, -0.0019890700000000, -0.0029659800000000 ] - [ 0.0002202600000000, -0.0005057300000000, 0.0004839200000000 ] - [ 0.0001739400000000, -0.0002199000000000, 0.0005168100000000 ] - [ -0.0034693400000000, 0.0056347800000000, -0.0035006500000000 ] - [ 0.0030095700000000, -0.0000658900000000, -0.0016954600000000 ] - [ -0.0026462500000000, 0.0010819900000000, 0.0020042900000000 ] - [ 0.0011574300000000, 0.0017392200000000, -0.0013437200000000 ] - [ 0.0000664600000000, -0.0002958700000000, 0.0000488800000000 ] - [ -0.0002375800000000, -0.0001693400000000, 0.0002778000000000 ] - [ 0.0039738200000000, -0.0001192200000000, 0.0023001500000000 ] - [ -0.0008577000000000, 0.0007947200000000, -0.0007460800000000 ] - [ -0.0011082200000000, -0.0013051500000000, -0.0025319700000000 ] - [ 0.0003940700000000, -0.0011048400000000, -0.0008413100000000 ] - [ 0.0001725500000000, 0.0025866300000000, -0.0027006500000000 ] - [ 0.0002511300000000, 0.0009332900000000, -0.0013778000000000 ] - [ -0.0000035600000000, 0.0003279300000000, 0.0002186900000000 ] - [ -0.0000315200000000, 0.0001304400000000, 0.0001870100000000 ] - [ -0.0035282600000000, -0.0068938200000000, 0.0082831100000000 ] - [ 0.0007369600000000, 0.0000060200000000, -0.0000836500000000 ] - [ -0.0000455100000000, -0.0002889800000000, 0.0001446000000000 ] - [ -0.0000660900000000, -0.0001909600000000, 0.0001335600000000 ] - [ 0.0022958500000000, -0.0001172000000000, 0.0005003900000000 ] - [ -0.0038042000000000, 0.0028432900000000, 0.0026181900000000 ] - [ 0.0031377100000000, -0.0036311500000000, -0.0001178100000000 ] - [ -0.0006431500000000, 0.0004071400000000, 0.0004841100000000 ] - [ 0.0000339300000000, -0.0003845200000000, -0.0002051000000000 ] - [ 0.0000328700000000, -0.0002335300000000, -0.0002291600000000 ] - [ -0.0015058600000000, -0.0034850900000000, 0.0025269700000000 ] - [ -0.0009147100000000, -0.0016513600000000, 0.0009630800000000 ] - [ 0.0095178400000000, 0.0024232500000000, -0.1056650000000000 ] - [ 0.0000125600000000, 0.0000141000000000, -0.0010316900000000 ] - [ 0.0073762900000000, -0.0045665300000000, 0.0154335500000000 ] - [ -0.0004889200000000, -0.0002376800000000, -0.0007499000000000 ] - [ -0.0028705400000000, -0.0004720400000000, 0.0024800000000000 ] - [ 0.0024587600000000, 0.0013438400000000, 0.0053572700000000 ] - [ 0.0001782400000000, -0.0000267700000000, 0.0006643400000000 ] - [ 0.0006937700000000, -0.0011687800000000, 0.0012833600000000 ] - [ 0.0038874300000000, 0.0058012800000000, -0.0028535100000000 ] - [ -0.0011933400000000, -0.0007860300000000, -0.0012388100000000 ] - [ -0.0001912200000000, -0.0002119400000000, -0.0001292700000000 ] - [ 0.0001362900000000, -0.0007595100000000, -0.0001423500000000 ] - [ -0.0003043200000000, 0.0000920800000000, 0.0004952000000000 ] - [ -0.0002532200000000, 0.0001112000000000, 0.0005001300000000 ] - [ 0.0025179700000000, -0.0022042700000000, -0.0014138900000000 ] - [ -0.0038622700000000, -0.0000745300000000, 0.0059889600000000 ] - [ 0.0000085300000000, -0.0004551200000000, 0.0011140600000000 ] - [ -0.0000962100000000, -0.0004168200000000, 0.0009192500000000 ] - [ -0.0003684200000000, 0.0000456600000000, 0.0003550600000000 ] - [ -0.0002553400000000, -0.0001251500000000, 0.0003159000000000 ] - [ 0.0027765500000000, 0.0026290900000000, -0.0055838600000000 ] - [ 0.0029041800000000, -0.0027970300000000, -0.0055550300000000 ] - [ -0.0053997900000000, 0.0086628000000000, 0.0008496700000000 ] - [ 0.0008664300000000, -0.0001047500000000, -0.0004692600000000 ] - [ 0.0004049100000000, -0.0002122000000000, 0.0002660700000000 ] - [ 0.0000671700000000, -0.0002724700000000, 0.0007712900000000 ] - [ -0.0000487100000000, -0.0002650700000000, 0.0001178700000000 ] - [ -0.0000524900000000, -0.0003292900000000, 0.0000430000000000 ] - [ -0.0005928500000000, -0.0001523500000000, 0.0008503300000000 ] - [ -0.0004678700000000, -0.0001506300000000, 0.0008343000000000 ] - [ -0.0025572300000000, -0.0001224300000000, -0.0068417800000000 ] - [ 0.0010348400000000, 0.0001058800000000, -0.0009261500000000 ] - [ 0.0010497800000000, 0.0014382000000000, -0.0028862500000000 ] - [ -0.0049479400000000, -0.0031302200000000, -0.0017169200000000 ] - [ -0.0000315200000000, -0.0002002600000000, 0.0003156100000000 ] - [ 0.0003345700000000, 0.0000307700000000, 0.0002878800000000 ] - [ -0.0000790500000000, -0.0003173700000000, -0.0005681300000000 ] - [ 0.0000971500000000, -0.0004905600000000, -0.0005521400000000 ] - [ -0.0014367000000000, -0.0028686000000000, -0.0099541300000000 ] - [ -0.0007952400000000, 0.0043136300000000, -0.0099680400000000 ] - [ -0.0001161900000000, 0.0027528800000000, 0.0026792300000000 ] - [ 0.0000695400000000, 0.0008271800000000, -0.0001007700000000 ] - [ -0.0001449600000000, 0.0005803200000000, 0.0002338200000000 ] - [ -0.0010615800000000, 0.0008047300000000, 0.0006352300000000 ] - [ 0.0003895600000000, 0.0008881900000000, -0.0001950700000000 ] - [ -0.0000260700000000, 0.0010794100000000, -0.0002523900000000 ] - [ -0.0005432000000000, -0.0012304400000000, 0.0005165400000000 ] - [ -0.0001156200000000, -0.0000130900000000, 0.0007407500000000 ] - [ 0.0005672200000000, 0.0002293200000000, 0.0016209400000000 ] - [ 0.0013495100000000, 0.0020995900000000, 0.0025098400000000 ] - [ -0.0008908000000000, -0.0003112500000000, 0.0002589900000000 ] - [ -0.0002679300000000, -0.0026623200000000, 0.0034031700000000 ] - [ -0.0001462500000000, -0.0002556600000000, -0.0005653800000000 ] - [ 0.0001150100000000, -0.0001110400000000, -0.0005318000000000 ] - [ 0.0007303700000000, 0.0014202900000000, 0.0040928300000000 ] - [ -0.0004951000000000, 0.0001618200000000, 0.0007184300000000 ] - [ -0.0004456200000000, 0.0012991900000000, 0.0007963900000000 ] - [ -0.0002585200000000, 0.0009608200000000, 0.0001796100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0017433000000000, -0.0011276700000000, -0.0029565700000000 ] - [ 0.0015494500000000, -0.0004858300000000, -0.0002140900000000 ] - [ -0.0000714000000000, 0.0000965000000000, 0.0010039600000000 ] - [ -0.0001304700000000, 0.0003073100000000, 0.0010420600000000 ] - [ 0.0003792100000000, -0.0002278700000000, -0.0033082200000000 ] - [ 0.0134610700000000, 0.0158243500000000, -0.0280731200000000 ] - [ -0.0011862000000000, -0.0014839600000000, -0.0027891200000000 ] - [ -0.0054745000000000, 0.0057221800000000, -0.0240791900000000 ] - [ -0.0115717000000000, -0.0115896100000000, -0.0281396400000000 ] - [ -0.0006985300000000, 0.0016485900000000, -0.0026041100000000 ] - [ 0.0000042700000000, -0.0004117100000000, 0.0002705400000000 ] - [ -0.0000389000000000, -0.0005332000000000, 0.0003102100000000 ] - [ 0.0000327500000000, 0.0017631500000000, 0.0037039800000000 ] - [ 0.0005290700000000, 0.0009458100000000, 0.0014912600000000 ] - [ -0.0006391000000000, -0.0015907900000000, 0.0030702400000000 ] - [ 0.0000373200000000, -0.0011144000000000, 0.0016558100000000 ] - [ -0.0003050700000000, -0.0009208500000000, 0.0007452900000000 ] - [ 0.0004504800000000, -0.0008287100000000, 0.0004388000000000 ] - [ 0.0011792300000000, 0.0018359000000000, -0.0005389500000000 ] - [ -0.0009272400000000, 0.0014913700000000, -0.0023969600000000 ] - [ -0.0003647700000000, -0.0003247200000000, 0.0009885100000000 ] - [ -0.0000917000000000, -0.0001170400000000, 0.0006724100000000 ] - [ 0.0105696300000000, -0.0055939600000000, -0.0228091100000000 ] - [ 0.0006500600000000, -0.0003792400000000, -0.0027041900000000 ] - [ 0.0004214100000000, 0.0027202200000000, 0.0062312200000000 ] - [ -0.0007460900000000, 0.0013505500000000, 0.0026067000000000 ] - [ -0.0001157200000000, -0.0001282700000000, -0.0001315100000000 ] - [ -0.0000713000000000, -0.0004142800000000, -0.0001675800000000 ] - [ 0.0033641700000000, -0.0062430300000000, 0.0039022600000000 ] - [ -0.0031100400000000, -0.0005701000000000, 0.0020507000000000 ] - [ 0.0027453000000000, -0.0004517600000000, -0.0023414300000000 ] - [ -0.0010513100000000, -0.0011010900000000, 0.0009815600000000 ] - [ 0.0000384200000000, -0.0003363100000000, -0.0003996700000000 ] - [ 0.0003408900000000, -0.0004632000000000, -0.0006286000000000 ] - [ -0.0038839200000000, 0.0007561900000000, -0.0019556400000000 ] - [ 0.0009444300000000, -0.0001712800000000, 0.0010792000000000 ] - [ 0.0010074700000000, 0.0019399900000000, 0.0028931400000000 ] - [ -0.0004944600000000, 0.0017353200000000, 0.0011970200000000 ] - [ -0.0002631100000000, -0.0019608100000000, 0.0023417000000000 ] - [ -0.0003582100000000, -0.0002997400000000, 0.0010250000000000 ] - [ -0.0000957400000000, -0.0003302900000000, -0.0002394300000000 ] - [ -0.0000664300000000, -0.0001301000000000, -0.0002060200000000 ] - [ 0.0036817100000000, 0.0070000600000000, -0.0083744200000000 ] - [ -0.0006387500000000, -0.0000064200000000, 0.0001092600000000 ] - [ -0.0000529400000000, 0.0002874100000000, -0.0001235500000000 ] - [ -0.0000326700000000, 0.0001897700000000, -0.0001123200000000 ] - [ -0.0022064600000000, 0.0001188500000000, -0.0005297600000000 ] - [ 0.0038704700000000, -0.0028228500000000, -0.0026176100000000 ] - [ -0.0029617600000000, 0.0041032900000000, 0.0009578100000000 ] - [ 0.0008033200000000, 0.0000777400000000, 0.0003650600000000 ] - [ -0.0000559500000000, -0.0001632100000000, -0.0001241300000000 ] - [ -0.0000533800000000, -0.0003141000000000, -0.0001021900000000 ] - [ 0.0015503500000000, 0.0028298600000000, -0.0029404500000000 ] - [ 0.0009689300000000, 0.0010182400000000, -0.0013857700000000 ] - [ -0.0089934600000000, -0.0019187800000000, 0.1054288000000000 ] - [ 0.0005741900000000, 0.0002044100000000, 0.0011986000000000 ] - [ -0.0072722000000000, 0.0039732000000000, -0.0155854600000000 ] - [ 0.0005057200000000, -0.0003056000000000, 0.0004098300000000 ] - [ 0.0028925800000000, -0.0000725100000000, -0.0021402900000000 ] - [ -0.0024767100000000, -0.0018937900000000, -0.0050558700000000 ] - [ -0.0001248000000000, 0.0006614400000000, -0.0002423800000000 ] - [ -0.0006431000000000, 0.0018061700000000, -0.0008598700000000 ] - [ -0.0039136100000000, -0.0051050800000000, 0.0024706300000000 ] - [ 0.0011455000000000, 0.0014304800000000, 0.0008196800000000 ] - [ 0.0001371000000000, -0.0004258600000000, 0.0005514200000000 ] - [ -0.0001867200000000, 0.0001210100000000, 0.0005641800000000 ] - [ -0.0002816000000000, 0.0001238200000000, -0.0003275100000000 ] - [ -0.0003317400000000, 0.0001042600000000, -0.0003327100000000 ] - [ -0.0026586700000000, 0.0017115000000000, 0.0005456800000000 ] - [ 0.0037096500000000, -0.0004047600000000, -0.0068557800000000 ] - [ -0.0005954600000000, 0.0002316100000000, -0.0009456100000000 ] - [ -0.0004869800000000, 0.0001976600000000, -0.0007506200000000 ] - [ -0.0002168400000000, 0.0001698000000000, -0.0005220500000000 ] - [ -0.0003294900000000, 0.0003417600000000, -0.0004822700000000 ] - [ -0.0021811400000000, -0.0028392100000000, 0.0053894800000000 ] - [ -0.0023273900000000, 0.0025869000000000, 0.0054182800000000 ] - [ 0.0055827800000000, -0.0082225900000000, -0.0017185300000000 ] - [ -0.0006932400000000, 0.0005810000000000, -0.0003706500000000 ] - [ -0.0004251700000000, 0.0007564400000000, 0.0000642200000000 ] - [ -0.0000870600000000, 0.0008187800000000, -0.0004354300000000 ] - [ 0.0000275400000000, -0.0002833000000000, 0.0002140800000000 ] - [ 0.0000317100000000, -0.0002186500000000, 0.0002897300000000 ] - [ 0.0000085900000000, -0.0000689900000000, -0.0010179600000000 ] - [ -0.0001187400000000, -0.0000700600000000, -0.0009986600000000 ] - [ 0.0031335900000000, -0.0002020900000000, 0.0070191500000000 ] - [ -0.0004493100000000, -0.0003292000000000, 0.0010937100000000 ] - [ -0.0011071100000000, -0.0007874600000000, 0.0033054500000000 ] - [ 0.0048551700000000, 0.0037447300000000, 0.0021196900000000 ] - [ 0.0001959100000000, -0.0002817800000000, 0.0005313600000000 ] - [ -0.0001692500000000, -0.0005109300000000, 0.0005599900000000 ] - [ 0.0002428900000000, -0.0001648600000000, -0.0002796900000000 ] - [ 0.0000697300000000, 0.0000110800000000, -0.0002953700000000 ] - [ 0.0018535200000000, 0.0030944700000000, 0.0098120200000000 ] - [ 0.0015544800000000, -0.0040926800000000, 0.0097981700000000 ] - [ 0.0001379500000000, -0.0022150800000000, -0.0030237600000000 ] - [ -0.0000530300000000, -0.0002828600000000, -0.0002380600000000 ] - [ 0.0001182600000000, -0.0000285400000000, -0.0005516900000000 ] - [ 0.0010477000000000, -0.0002602600000000, -0.0009695900000000 ] - [ -0.0005544000000000, -0.0004096400000000, -0.0006549500000000 ] - [ -0.0001362400000000, -0.0005977600000000, -0.0006008200000000 ] - [ 0.0003765800000000, 0.0017169000000000, 0.0003351400000000 ] - [ -0.0000469600000000, 0.0004933500000000, 0.0001101400000000 ] - [ -0.0005068100000000, -0.0008644100000000, -0.0011950000000000 ] - [ -0.0013025300000000, -0.0027460000000000, -0.0020908300000000 ] - [ 0.0009158400000000, 0.0008584100000000, 0.0000776400000000 ] - [ 0.0002834500000000, 0.0031960500000000, -0.0030562200000000 ] - [ 0.0000960300000000, -0.0003868900000000, 0.0001471700000000 ] - [ -0.0001672200000000, -0.0005259100000000, 0.0001110800000000 ] - [ -0.0008847300000000, -0.0019131900000000, -0.0032426500000000 ] - [ 0.0003369800000000, -0.0006430900000000, 0.0001382800000000 ] - [ 0.0004985200000000, -0.0006639300000000, -0.0012207200000000 ] - [ 0.0003115000000000, -0.0003257900000000, -0.0006030000000000 ]