# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/48a32f36-8b94-4ca1-af30-42cb26bb521c/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 Cd2Sb2O7 / Imma (74) / materials id 16281](https://mdr.nims.go.jp/datasets/034db9d0-31a1-425c-b2ab-a41deec56382) ## 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: "Imma" number: 74 Hall_symbol: "-I 2b 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -3.634001925000000, 5.128646085000000, 3.696352555000000 ] # a - [ 3.634001925000000, -5.128646085000000, 3.696352555000000 ] # b - [ 3.634001925000000, 5.128646085000000, -3.696352555000000 ] # c points: - symbol: O # 1 coordinates: [ 0.556389640000000, 0.647441270000000, 0.326256670000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.443610360000000, 0.769867030000000, 0.091051630000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.821184600000000, 0.230132970000000, 0.173743330000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.178815400000000, 0.352558730000000, 0.408948370000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.443610360000000, 0.352558730000000, 0.673743330000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.556389640000000, 0.230132970000000, 0.908948370000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.178815400000000, 0.769867030000000, 0.826256670000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.821184600000000, 0.647441270000000, 0.591051630000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.400807250000000, 0.150807250000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.599192750000000, 0.849192750000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.835496570000000, 0.737677920000000, 0.097818650000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.164503430000000, 0.262322080000000, 0.902181350000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.139859270000000, 0.737677920000000, 0.402181350000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.860140730000000, 0.262322080000000, 0.597818650000000 ] mass: 15.999400 - symbol: Cd # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 - symbol: Cd # 16 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 - symbol: Cd # 18 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 - symbol: Sb # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.097491617029760, 0.135268482256558 ] # a* - [ 0.137589360247793, 0.000000000000000, 0.135268482256558 ] # b* - [ 0.137589360247793, 0.097491617029760, 0.000000000000000 ] # c*unit_cell: lattice: - [ 7.268003850000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.257292169999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.392705110000000 ] # c points: - symbol: O # 1 coordinates: [ 0.208654150000000, 0.117602520000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.208654150000000, 0.882397480000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.791345850000000, 0.382397480000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.791345850000000, 0.617602520000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.791345850000000, 0.882397480000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.791345850000000, 0.117602520000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.208654150000000, 0.617602520000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.208654150000000, 0.382397480000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.500000000000000, 0.750000000000000, 0.650807250000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.500000000000000, 0.250000000000000, 0.349192750000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.000000000000000, 0.097818650000000, 0.737677920000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.000000000000000, 0.902181350000000, 0.262322080000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.500000000000000, 0.902181350000000, 0.237677920000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.097818650000000, 0.762322080000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.708654150000000, 0.617602520000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.708654150000000, 0.382397480000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 17 coordinates: [ 0.291345850000000, 0.882397480000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 18 coordinates: [ 0.291345850000000, 0.117602520000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 19 coordinates: [ 0.291345850000000, 0.382397480000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 20 coordinates: [ 0.291345850000000, 0.617602520000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 21 coordinates: [ 0.708654150000000, 0.117602520000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 22 coordinates: [ 0.708654150000000, 0.882397480000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.250000000000000, 0.150807250000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.750000000000000, 0.849192750000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 25 coordinates: [ 0.500000000000000, 0.597818650000000, 0.237677920000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.402181350000000, 0.762322080000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 27 coordinates: [ 0.000000000000000, 0.402181350000000, 0.737677920000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 28 coordinates: [ 0.000000000000000, 0.597818650000000, 0.262322080000000 ] mass: 15.999400 reduced_to: 14 - symbol: Cd # 29 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 30 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 30 - symbol: Cd # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 31 - symbol: Cd # 32 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 32 - symbol: Cd # 33 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 34 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 30 - symbol: Cd # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 31 - symbol: Cd # 36 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 32 - symbol: Sb # 37 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 38 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 38 - symbol: Sb # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 39 - symbol: Sb # 40 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 40 - symbol: Sb # 41 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 37 - symbol: Sb # 42 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 38 - symbol: Sb # 43 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 39 - symbol: Sb # 44 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 40supercell: lattice: - [ 14.536007700000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.257292169999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.392705110000000 ] # c points: - symbol: O # 1 coordinates: [ 0.104327075000000, 0.117602520000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.604327075000000, 0.117602520000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.104327075000000, 0.882397480000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.604327075000000, 0.882397480000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.395672925000000, 0.382397480000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.895672925000000, 0.382397480000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.395672925000000, 0.617602520000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.895672925000000, 0.617602520000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.395672925000000, 0.882397480000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.895672925000000, 0.882397480000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.395672925000000, 0.117602520000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.895672925000000, 0.117602520000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.104327075000000, 0.617602520000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.604327075000000, 0.617602520000000, 0.561212880000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.104327075000000, 0.382397480000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.604327075000000, 0.382397480000000, 0.438787120000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.250000000000000, 0.750000000000000, 0.650807250000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.750000000000000, 0.750000000000000, 0.650807250000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.250000000000000, 0.250000000000000, 0.349192750000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.750000000000000, 0.250000000000000, 0.349192750000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.000000000000000, 0.097818650000000, 0.737677920000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.500000000000000, 0.097818650000000, 0.737677920000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.902181350000000, 0.262322080000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.500000000000000, 0.902181350000000, 0.262322080000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.250000000000000, 0.902181350000000, 0.237677920000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.750000000000000, 0.902181350000000, 0.237677920000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.250000000000000, 0.097818650000000, 0.762322080000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.750000000000000, 0.097818650000000, 0.762322080000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.354327075000000, 0.617602520000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 30 coordinates: [ 0.854327075000000, 0.617602520000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 31 coordinates: [ 0.354327075000000, 0.382397480000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 32 coordinates: [ 0.854327075000000, 0.382397480000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 33 coordinates: [ 0.145672925000000, 0.882397480000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 34 coordinates: [ 0.645672925000000, 0.882397480000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 35 coordinates: [ 0.145672925000000, 0.117602520000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 36 coordinates: [ 0.645672925000000, 0.117602520000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 37 coordinates: [ 0.145672925000000, 0.382397480000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 38 coordinates: [ 0.645672925000000, 0.382397480000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 39 coordinates: [ 0.145672925000000, 0.617602520000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 40 coordinates: [ 0.645672925000000, 0.617602520000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 41 coordinates: [ 0.354327075000000, 0.117602520000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 42 coordinates: [ 0.854327075000000, 0.117602520000000, 0.061212880000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 43 coordinates: [ 0.354327075000000, 0.882397480000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 44 coordinates: [ 0.854327075000000, 0.882397480000000, 0.938787120000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 45 coordinates: [ 0.000000000000000, 0.250000000000000, 0.150807250000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.250000000000000, 0.150807250000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 47 coordinates: [ 0.000000000000000, 0.750000000000000, 0.849192750000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.750000000000000, 0.849192750000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 49 coordinates: [ 0.250000000000000, 0.597818650000000, 0.237677920000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 50 coordinates: [ 0.750000000000000, 0.597818650000000, 0.237677920000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 51 coordinates: [ 0.250000000000000, 0.402181350000000, 0.762322080000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 52 coordinates: [ 0.750000000000000, 0.402181350000000, 0.762322080000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 53 coordinates: [ 0.000000000000000, 0.402181350000000, 0.737677920000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.402181350000000, 0.737677920000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.597818650000000, 0.262322080000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.597818650000000, 0.262322080000000 ] mass: 15.999400 reduced_to: 27 - symbol: Cd # 57 coordinates: [ 0.125000000000000, 0.250000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 57 - symbol: Cd # 58 coordinates: [ 0.625000000000000, 0.250000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 57 - symbol: Cd # 59 coordinates: [ 0.125000000000000, 0.750000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 59 - symbol: Cd # 60 coordinates: [ 0.625000000000000, 0.750000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 59 - symbol: Cd # 61 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 61 - symbol: Cd # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 61 - symbol: Cd # 63 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 63 - symbol: Cd # 64 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 63 - symbol: Cd # 65 coordinates: [ 0.375000000000000, 0.750000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 57 - symbol: Cd # 66 coordinates: [ 0.875000000000000, 0.750000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 57 - symbol: Cd # 67 coordinates: [ 0.375000000000000, 0.250000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 59 - symbol: Cd # 68 coordinates: [ 0.875000000000000, 0.250000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 59 - symbol: Cd # 69 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 61 - symbol: Cd # 70 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 61 - symbol: Cd # 71 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 63 - symbol: Cd # 72 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 63 - symbol: Sb # 73 coordinates: [ 0.375000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 74 coordinates: [ 0.875000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 75 coordinates: [ 0.375000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 76 coordinates: [ 0.875000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 79 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 79 - symbol: Sb # 80 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 79 - symbol: Sb # 81 coordinates: [ 0.125000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 82 coordinates: [ 0.625000000000000, 0.250000000000000, 0.250000000000000 ] mass: 121.760000 reduced_to: 73 - symbol: Sb # 83 coordinates: [ 0.125000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 84 coordinates: [ 0.625000000000000, 0.750000000000000, 0.750000000000000 ] mass: 121.760000 reduced_to: 75 - symbol: Sb # 85 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 86 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 77 - symbol: Sb # 87 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 79 - symbol: Sb # 88 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1306653400000000, -0.0819000600000000, 0.0459994700000000 ] - [ 0.0012324600000000, -0.0018579300000000, 0.0006600100000000 ] - [ -0.0072058100000000, 0.0026130600000000, -0.0019418000000000 ] - [ 0.0007035700000000, 0.0020065200000000, -0.0007670100000000 ] - [ 0.0043883600000000, 0.0048408100000000, 0.0023058200000000 ] - [ 0.0002609600000000, 0.0000074800000000, 0.0003573100000000 ] - [ 0.0012372500000000, -0.0019511100000000, -0.0007002800000000 ] - [ 0.0006048500000000, -0.0019811800000000, -0.0011376400000000 ] - [ 0.0021159700000000, 0.0015240000000000, -0.0007393100000000 ] - [ 0.0042251300000000, 0.0062122200000000, -0.0027341400000000 ] - [ 0.0039042100000000, -0.0036846200000000, 0.0017530500000000 ] - [ 0.0119507700000000, -0.0028259700000000, 0.0016489800000000 ] - [ -0.0019824800000000, -0.0014380900000000, -0.0006604500000000 ] - [ 0.0003123300000000, -0.0019600200000000, -0.0008104600000000 ] - [ -0.0096133700000000, 0.0070372900000000, 0.0023512200000000 ] - [ 0.0010792000000000, 0.0016788900000000, 0.0006246000000000 ] - [ -0.0018405100000000, -0.0003114300000000, 0.0066758000000000 ] - [ 0.0016961900000000, 0.0004210000000000, 0.0068487700000000 ] - [ 0.0229622600000000, 0.0147227900000000, -0.0168177100000000 ] - [ 0.0038797700000000, -0.0014441400000000, -0.0061361700000000 ] - [ 0.0024991900000000, 0.0004036300000000, -0.0156568600000000 ] - [ 0.0015620200000000, -0.0016870100000000, -0.0015504400000000 ] - [ 0.0012449900000000, 0.0090717000000000, 0.0058328300000000 ] - [ 0.0013358200000000, 0.0013105100000000, 0.0016473700000000 ] - [ 0.0009840600000000, -0.0032465100000000, -0.0063497800000000 ] - [ 0.0015071300000000, 0.0021215200000000, -0.0013382300000000 ] - [ 0.0018419200000000, -0.0026468900000000, 0.0085574700000000 ] - [ 0.0016708500000000, -0.0014065300000000, 0.0011054500000000 ] - [ -0.0006767700000000, -0.0018986000000000, 0.0006696500000000 ] - [ -0.0006716200000000, -0.0020805400000000, 0.0010391900000000 ] - [ 0.0001186200000000, 0.0040827200000000, -0.0029042100000000 ] - [ 0.0001318700000000, 0.0011286700000000, -0.0004404900000000 ] - [ -0.0024901100000000, 0.0007310700000000, -0.0000399400000000 ] - [ 0.0024317600000000, 0.0028303900000000, 0.0012523500000000 ] - [ -0.0032903200000000, -0.0030733000000000, -0.0075602200000000 ] - [ 0.0027680900000000, -0.0027257800000000, -0.0011945400000000 ] - [ -0.0014985200000000, 0.0030449100000000, -0.0018736200000000 ] - [ 0.0023317000000000, 0.0023205500000000, -0.0008540900000000 ] - [ -0.0006012900000000, -0.0017010800000000, 0.0007014000000000 ] - [ 0.0019645100000000, -0.0024654100000000, 0.0010501500000000 ] - [ 0.0010260200000000, -0.0026460900000000, -0.0012054400000000 ] - [ 0.0010343400000000, -0.0021504100000000, -0.0001347800000000 ] - [ 0.0002691100000000, 0.0008869100000000, 0.0000361300000000 ] - [ 0.0002685800000000, 0.0030769800000000, 0.0012923800000000 ] - [ -0.0020139100000000, -0.0054522300000000, 0.0128253900000000 ] - [ 0.0026454100000000, 0.0001158100000000, 0.0066399000000000 ] - [ -0.0021388900000000, 0.0006754400000000, -0.0066775000000000 ] - [ 0.0018886400000000, -0.0001106200000000, -0.0067601300000000 ] - [ -0.0006687600000000, -0.0014928100000000, -0.0019343900000000 ] - [ 0.0006686100000000, -0.0015668700000000, -0.0017012900000000 ] - [ -0.0004585500000000, 0.0028740400000000, 0.0023491000000000 ] - [ 0.0007777000000000, 0.0012149400000000, 0.0016977400000000 ] - [ -0.0015295900000000, 0.0005068300000000, -0.0012926100000000 ] - [ 0.0011716300000000, 0.0017375500000000, -0.0014832900000000 ] - [ -0.0012816800000000, -0.0000000200000000, 0.0010854100000000 ] - [ 0.0009099600000000, -0.0013009600000000, 0.0016586700000000 ] - [ 0.0066399700000000, -0.0006185700000000, -0.0018515200000000 ] - [ -0.0019973200000000, 0.0002678000000000, -0.0001995200000000 ] - [ 0.0044297600000000, -0.0005465600000000, -0.0003989800000000 ] - [ -0.0017840600000000, -0.0002503500000000, 0.0001860400000000 ] - [ 0.0031765100000000, -0.0007198200000000, -0.0002316100000000 ] - [ -0.0021529600000000, 0.0002917400000000, 0.0000358400000000 ] - [ 0.0051583700000000, 0.0017883000000000, -0.0009432200000000 ] - [ -0.0037533500000000, -0.0015272000000000, 0.0005426000000000 ] - [ -0.0012992600000000, 0.0009308100000000, -0.0002004800000000 ] - [ -0.0017539400000000, -0.0021781100000000, -0.0000530400000000 ] - [ -0.0017410300000000, -0.0009350600000000, -0.0001589800000000 ] - [ -0.0016280800000000, 0.0027052800000000, 0.0012510600000000 ] - [ 0.0009777100000000, -0.0021154300000000, -0.0006535000000000 ] - [ -0.0012359800000000, 0.0003556400000000, 0.0001099100000000 ] - [ 0.0016468600000000, 0.0006284400000000, -0.0003171200000000 ] - [ -0.0016062700000000, -0.0003152100000000, 0.0000332200000000 ] - [ -0.0007012800000000, 0.0012998000000000, 0.0003467900000000 ] - [ -0.0002821600000000, -0.0023483800000000, 0.0006358100000000 ] - [ -0.0108245100000000, -0.0000321000000000, 0.0032072500000000 ] - [ -0.0046158700000000, 0.0075507100000000, -0.0053049100000000 ] - [ 0.0727278600000000, 0.0410437000000000, -0.0133783100000000 ] - [ -0.0046102500000000, 0.0010599300000000, -0.0002324900000000 ] - [ 0.0010845000000000, 0.0041576500000000, 0.0007773000000000 ] - [ -0.0037217200000000, -0.0008689600000000, -0.0002214900000000 ] - [ 0.0254120900000000, 0.0120533100000000, -0.0096161300000000 ] - [ -0.0048922400000000, 0.0002356700000000, 0.0000588900000000 ] - [ 0.0036282700000000, -0.0009168800000000, 0.0016485600000000 ] - [ -0.0029551800000000, -0.0003432200000000, -0.0002695400000000 ] - [ 0.0021793400000000, -0.0022023900000000, 0.0004234700000000 ] - [ -0.0021073200000000, 0.0006293100000000, -0.0001765400000000 ] - [ 0.0051732500000000, -0.0000325400000000, -0.0000505400000000 ] - [ -0.0035499200000000, -0.0012393300000000, -0.0002675500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1314922100000000, 0.0810577800000000, -0.0457296200000000 ] - [ -0.0029654900000000, -0.0026948500000000, 0.0012266700000000 ] - [ 0.0055442400000000, 0.0019106800000000, 0.0000645000000000 ] - [ -0.0024341200000000, 0.0025438700000000, -0.0011181400000000 ] - [ -0.0026567700000000, -0.0002780400000000, -0.0004073800000000 ] - [ 0.0014892900000000, 0.0045649900000000, 0.0015282700000000 ] - [ 0.0004850100000000, -0.0025983600000000, -0.0011848900000000 ] - [ 0.0011300700000000, -0.0025775500000000, -0.0007494400000000 ] - [ -0.0004032100000000, 0.0030317200000000, -0.0011479100000000 ] - [ -0.0024880500000000, -0.0016544200000000, 0.0008474400000000 ] - [ -0.0021833400000000, -0.0008702600000000, 0.0001374200000000 ] - [ -0.0105453600000000, -0.0016808800000000, 0.0002177700000000 ] - [ 0.0002525100000000, -0.0031538000000000, -0.0012480600000000 ] - [ -0.0020408400000000, -0.0025916700000000, -0.0010771000000000 ] - [ 0.0079110200000000, -0.0027092700000000, -0.0004839500000000 ] - [ -0.0028094800000000, 0.0028763100000000, 0.0012647900000000 ] - [ 0.0018423100000000, 0.0003074100000000, 0.0069619000000000 ] - [ -0.0016976400000000, -0.0004247200000000, 0.0067896600000000 ] - [ -0.0226546200000000, -0.0144368100000000, 0.0030590300000000 ] - [ -0.0039054800000000, 0.0014636600000000, -0.0075122000000000 ] - [ -0.0025023900000000, -0.0035065000000000, 0.0123654900000000 ] - [ -0.0015656700000000, -0.0014527900000000, -0.0019652700000000 ] - [ -0.0012437600000000, -0.0060422200000000, -0.0024163600000000 ] - [ -0.0013385600000000, 0.0018293000000000, 0.0018696600000000 ] - [ -0.0009742700000000, 0.0063522800000000, 0.0027790500000000 ] - [ -0.0015122700000000, 0.0010127300000000, -0.0021853600000000 ] - [ -0.0018424300000000, -0.0004833600000000, -0.0049625900000000 ] - [ -0.0016769900000000, -0.0017344400000000, 0.0024218900000000 ] - [ -0.0010561700000000, -0.0026558900000000, 0.0012170900000000 ] - [ -0.0010509400000000, -0.0024751800000000, 0.0008477900000000 ] - [ -0.0018508100000000, 0.0004817000000000, 0.0009998300000000 ] - [ -0.0018372900000000, 0.0034159800000000, -0.0014435900000000 ] - [ 0.0042217700000000, 0.0038320600000000, 0.0019309000000000 ] - [ -0.0007097400000000, 0.0017177700000000, 0.0006331800000000 ] - [ 0.0049444300000000, -0.0014445100000000, 0.0057518200000000 ] - [ -0.0010459900000000, -0.0018244100000000, -0.0006918000000000 ] - [ 0.0032138300000000, 0.0014738600000000, 0.0000181800000000 ] - [ -0.0006043100000000, 0.0022346800000000, -0.0010346800000000 ] - [ 0.0023278500000000, -0.0028554200000000, 0.0011839200000000 ] - [ -0.0002376300000000, -0.0020862200000000, 0.0008355900000000 ] - [ -0.0027601600000000, -0.0019107200000000, -0.0006880600000000 ] - [ -0.0027513400000000, -0.0023903400000000, -0.0017601400000000 ] - [ -0.0019950500000000, 0.0036636700000000, 0.0018466100000000 ] - [ -0.0019956000000000, 0.0014709600000000, 0.0005928700000000 ] - [ 0.0021280600000000, 0.0054885600000000, 0.0007786100000000 ] - [ -0.0026532000000000, -0.0001153500000000, 0.0069973600000000 ] - [ 0.0021524800000000, -0.0006831800000000, -0.0069625700000000 ] - [ -0.0018933300000000, 0.0001097900000000, -0.0068769900000000 ] - [ 0.0006612100000000, -0.0016550800000000, -0.0015790400000000 ] - [ -0.0006659200000000, -0.0015756000000000, -0.0018176000000000 ] - [ 0.0004479500000000, 0.0002630800000000, 0.0011619400000000 ] - [ -0.0007751300000000, 0.0019285300000000, 0.0018232700000000 ] - [ 0.0015478600000000, 0.0026319400000000, -0.0022343100000000 ] - [ -0.0011735100000000, 0.0014023400000000, -0.0020298100000000 ] - [ 0.0012947300000000, -0.0031634400000000, 0.0024410500000000 ] - [ -0.0009123400000000, -0.0018376100000000, 0.0018562300000000 ] - [ -0.0066408400000000, 0.0006192500000000, 0.0018860200000000 ] - [ 0.0020011400000000, -0.0002708400000000, 0.0001990200000000 ] - [ -0.0044401800000000, 0.0005609600000000, 0.0003958200000000 ] - [ 0.0017869700000000, 0.0002536000000000, -0.0001863400000000 ] - [ -0.0031994900000000, 0.0007050500000000, 0.0002326400000000 ] - [ 0.0021577400000000, -0.0002919000000000, -0.0000354200000000 ] - [ -0.0046293500000000, -0.0021203800000000, 0.0010607900000000 ] - [ 0.0037836700000000, 0.0015482200000000, -0.0005503500000000 ] - [ 0.0013027900000000, -0.0009275600000000, 0.0001995800000000 ] - [ 0.0017572000000000, 0.0021943000000000, 0.0000530000000000 ] - [ 0.0017510500000000, 0.0009350600000000, 0.0001581900000000 ] - [ 0.0016237500000000, -0.0027275100000000, -0.0012714400000000 ] - [ -0.0009450600000000, 0.0021252000000000, 0.0006543500000000 ] - [ 0.0012334000000000, -0.0003576700000000, -0.0001105000000000 ] - [ -0.0016556300000000, -0.0006174200000000, 0.0003139000000000 ] - [ 0.0016097700000000, 0.0003146000000000, -0.0000329400000000 ] - [ 0.0007074600000000, -0.0012987500000000, -0.0003448100000000 ] - [ 0.0002769300000000, 0.0023689200000000, -0.0006432400000000 ] - [ 0.0108469200000000, 0.0000407300000000, -0.0032086400000000 ] - [ 0.0045632000000000, -0.0076503600000000, 0.0054201400000000 ] - [ -0.0757601500000000, -0.0442286800000000, 0.0145791700000000 ] - [ 0.0046205400000000, -0.0010552600000000, 0.0002302000000000 ] - [ -0.0010267500000000, -0.0042127200000000, -0.0007755300000000 ] - [ 0.0037251000000000, 0.0008715800000000, 0.0002219600000000 ] - [ -0.0255833600000000, -0.0122395900000000, 0.0097471000000000 ] - [ 0.0049072600000000, -0.0002387400000000, -0.0000533100000000 ] - [ -0.0036252400000000, 0.0009372100000000, -0.0016463200000000 ] - [ 0.0029614200000000, 0.0003470400000000, 0.0002696100000000 ] - [ -0.0021558200000000, 0.0022137900000000, -0.0004200700000000 ] - [ 0.0020959100000000, -0.0006257400000000, 0.0001748200000000 ] - [ -0.0052851500000000, 0.0000883600000000, 0.0000726700000000 ] - [ 0.0035571500000000, 0.0012364900000000, 0.0002670300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0817107200000000, -0.1852803500000000, 0.1084638200000000 ] - [ -0.0004441400000000, -0.0024842100000000, 0.0009717100000000 ] - [ -0.0011938800000000, 0.0304025500000000, -0.0175645900000000 ] - [ -0.0005951000000000, 0.0022179500000000, -0.0009202900000000 ] - [ 0.0034295600000000, 0.0040215000000000, 0.0019164300000000 ] - [ -0.0014254400000000, 0.0021892500000000, 0.0012015000000000 ] - [ 0.0005426800000000, -0.0011321600000000, -0.0005065400000000 ] - [ 0.0005612900000000, -0.0006850700000000, -0.0005995900000000 ] - [ 0.0001078600000000, 0.0020003700000000, -0.0007694400000000 ] - [ 0.0048096500000000, 0.0045169900000000, -0.0024445300000000 ] - [ 0.0022726900000000, -0.0042578200000000, 0.0017548300000000 ] - [ 0.0014564000000000, -0.0072323400000000, 0.0028387800000000 ] - [ -0.0000047100000000, 0.0057967500000000, 0.0021325600000000 ] - [ -0.0005471300000000, -0.0018998600000000, -0.0007958400000000 ] - [ -0.0057574300000000, 0.0310326700000000, 0.0019244600000000 ] - [ -0.0002621900000000, 0.0021046300000000, 0.0008582000000000 ] - [ -0.0030515600000000, 0.0017290700000000, 0.0060788200000000 ] - [ 0.0008444300000000, 0.0005371100000000, 0.0068127800000000 ] - [ 0.0187229800000000, 0.0039747700000000, -0.0131904600000000 ] - [ 0.0004910600000000, -0.0007534800000000, -0.0066435300000000 ] - [ 0.0028235800000000, -0.0079003900000000, -0.0083576700000000 ] - [ 0.0002781100000000, -0.0018846500000000, -0.0016325600000000 ] - [ 0.0074008800000000, 0.0102590000000000, 0.0084196500000000 ] - [ -0.0000257000000000, 0.0012716000000000, 0.0016844200000000 ] - [ -0.0028534800000000, 0.0027243000000000, 0.0015103900000000 ] - [ 0.0009597800000000, 0.0012014900000000, -0.0015781400000000 ] - [ -0.0003291300000000, -0.0043063600000000, -0.0002922100000000 ] - [ 0.0005646500000000, -0.0018883100000000, 0.0015580000000000 ] - [ -0.0006639300000000, -0.0010628400000000, 0.0004169200000000 ] - [ -0.0004888800000000, -0.0010656200000000, 0.0006605400000000 ] - [ 0.0002834800000000, 0.0032389200000000, -0.0021135400000000 ] - [ -0.0026639500000000, 0.0032339600000000, -0.0014714900000000 ] - [ -0.0006798100000000, 0.0010713000000000, -0.0005184100000000 ] - [ 0.0014202500000000, 0.0024428900000000, 0.0010635000000000 ] - [ 0.0016684000000000, -0.0089650300000000, -0.0034337500000000 ] - [ 0.0013153200000000, -0.0027243200000000, -0.0011148600000000 ] - [ 0.0016440900000000, 0.0054667100000000, -0.0046566800000000 ] - [ 0.0009066300000000, 0.0022253200000000, -0.0008756800000000 ] - [ 0.0002880800000000, -0.0004167000000000, 0.0004403900000000 ] - [ 0.0010525500000000, -0.0019863100000000, 0.0008356700000000 ] - [ -0.0007492500000000, -0.0040981400000000, -0.0022336000000000 ] - [ -0.0012298800000000, -0.0040922300000000, -0.0016025200000000 ] - [ -0.0016694900000000, 0.0021257900000000, 0.0014309200000000 ] - [ 0.0005239800000000, 0.0021261100000000, 0.0011810300000000 ] - [ -0.0082203100000000, 0.0003677100000000, 0.0015959700000000 ] - [ 0.0007841400000000, -0.0003185800000000, 0.0067419300000000 ] - [ 0.0012895400000000, 0.0019711600000000, -0.0078707500000000 ] - [ 0.0001547700000000, 0.0003053200000000, -0.0068225000000000 ] - [ 0.0002736000000000, 0.0005057400000000, -0.0020469000000000 ] - [ 0.0000081600000000, -0.0010184000000000, -0.0017025300000000 ] - [ 0.0008572500000000, 0.0024149800000000, 0.0026215800000000 ] - [ -0.0001903200000000, 0.0016612000000000, 0.0016666500000000 ] - [ -0.0016817500000000, 0.0021028300000000, -0.0001179000000000 ] - [ 0.0005114700000000, 0.0017290000000000, -0.0015547700000000 ] - [ -0.0013234200000000, 0.0027580600000000, 0.0002669200000000 ] - [ 0.0002712300000000, -0.0011071300000000, 0.0016955900000000 ] - [ 0.0008064900000000, 0.0036652300000000, -0.0042624900000000 ] - [ -0.0004369700000000, 0.0004406000000000, -0.0000455400000000 ] - [ 0.0019417400000000, -0.0048316900000000, -0.0015208000000000 ] - [ -0.0004427200000000, -0.0004705900000000, 0.0000437800000000 ] - [ 0.0003339900000000, 0.0027822700000000, -0.0013053400000000 ] - [ -0.0002732000000000, 0.0004799200000000, 0.0000196900000000 ] - [ 0.0009069500000000, 0.0055104500000000, -0.0005501100000000 ] - [ -0.0010898200000000, 0.0003901300000000, 0.0000223300000000 ] - [ 0.0006588700000000, -0.0012408000000000, 0.0000131100000000 ] - [ -0.0024758600000000, -0.0031706300000000, 0.0000597500000000 ] - [ -0.0005255900000000, 0.0008890600000000, -0.0002487200000000 ] - [ -0.0000161600000000, 0.0023331100000000, 0.0000337500000000 ] - [ -0.0024078200000000, -0.0035244100000000, -0.0009268300000000 ] - [ 0.0001694500000000, -0.0005461400000000, -0.0000733300000000 ] - [ 0.0007181500000000, -0.0024444000000000, 0.0002783900000000 ] - [ -0.0005719200000000, -0.0004877300000000, 0.0000445400000000 ] - [ 0.0016168300000000, -0.0012986500000000, 0.0004608500000000 ] - [ -0.0020163400000000, -0.0029092500000000, 0.0002204900000000 ] - [ -0.0078438500000000, 0.0022011900000000, 0.0027627800000000 ] - [ 0.0072891400000000, 0.0041098500000000, -0.0028686300000000 ] - [ 0.0414548900000000, 0.0503214300000000, -0.0130620300000000 ] - [ -0.0006252900000000, 0.0013678100000000, -0.0001579800000000 ] - [ 0.0004495000000000, 0.0056571600000000, -0.0011135400000000 ] - [ -0.0012465200000000, 0.0012509000000000, 0.0000944200000000 ] - [ 0.0138311000000000, 0.0719358600000000, -0.0578724300000000 ] - [ -0.0009595300000000, 0.0005671800000000, 0.0000486600000000 ] - [ 0.0029253100000000, -0.0101718100000000, 0.0073439700000000 ] - [ -0.0007758400000000, -0.0005780800000000, -0.0000494100000000 ] - [ -0.0006002900000000, -0.0039669000000000, 0.0003154100000000 ] - [ 0.0003107400000000, -0.0013376200000000, 0.0002453300000000 ] - [ 0.0095988200000000, -0.0105156100000000, -0.0029861300000000 ] - [ -0.0014611800000000, -0.0015745300000000, -0.0002766800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0812435600000000, 0.1795756300000000, -0.1041857300000000 ] - [ -0.0012808900000000, -0.0020668200000000, 0.0009139000000000 ] - [ -0.0004901700000000, -0.0264448600000000, 0.0159857900000000 ] - [ -0.0011323400000000, 0.0023360400000000, -0.0009655200000000 ] - [ -0.0016892100000000, 0.0005384100000000, -0.0000212500000000 ] - [ 0.0031322000000000, 0.0023440900000000, 0.0006810600000000 ] - [ 0.0011899800000000, -0.0034180200000000, -0.0013799600000000 ] - [ 0.0011576700000000, -0.0038647100000000, -0.0012851200000000 ] - [ 0.0016156900000000, 0.0025594600000000, -0.0011177600000000 ] - [ -0.0030571700000000, 0.0000674200000000, 0.0005503200000000 ] - [ -0.0005416500000000, -0.0003094300000000, 0.0001412800000000 ] - [ 0.0003116200000000, 0.0026878200000000, -0.0009503300000000 ] - [ -0.0017209200000000, -0.0103497200000000, -0.0040147600000000 ] - [ -0.0011787000000000, -0.0026504900000000, -0.0010907300000000 ] - [ 0.0039901400000000, -0.0258497900000000, 0.0000105700000000 ] - [ -0.0014593500000000, 0.0024418200000000, 0.0010263900000000 ] - [ 0.0030969200000000, -0.0017260600000000, 0.0075633100000000 ] - [ -0.0008471200000000, -0.0005339900000000, 0.0068253000000000 ] - [ -0.0184598700000000, -0.0039835400000000, -0.0004909900000000 ] - [ -0.0004794200000000, 0.0007428300000000, -0.0069889100000000 ] - [ -0.0027636100000000, 0.0048524100000000, 0.0047737800000000 ] - [ -0.0002795800000000, -0.0012549300000000, -0.0018829800000000 ] - [ -0.0074895200000000, -0.0071980300000000, -0.0049988600000000 ] - [ 0.0000249800000000, 0.0018697500000000, 0.0018322400000000 ] - [ 0.0028592000000000, 0.0004380000000000, -0.0050164800000000 ] - [ -0.0009608500000000, 0.0019447900000000, -0.0019361600000000 ] - [ 0.0002980500000000, 0.0011772900000000, 0.0037721200000000 ] - [ -0.0005597200000000, -0.0012491800000000, 0.0019533600000000 ] - [ -0.0010585500000000, -0.0034853500000000, 0.0014684600000000 ] - [ -0.0012461800000000, -0.0034880900000000, 0.0012247700000000 ] - [ -0.0020037900000000, 0.0013159100000000, 0.0002175900000000 ] - [ 0.0009369900000000, 0.0013110200000000, -0.0004126200000000 ] - [ 0.0024211200000000, 0.0035105700000000, 0.0024323600000000 ] - [ 0.0003076300000000, 0.0021113700000000, 0.0008243300000000 ] - [ 0.0000394600000000, 0.0043694400000000, 0.0015954300000000 ] - [ 0.0004139400000000, -0.0018268600000000, -0.0007725100000000 ] - [ 0.0000734200000000, -0.0009426500000000, 0.0027793000000000 ] - [ 0.0008206300000000, 0.0023222600000000, -0.0010071800000000 ] - [ 0.0014424300000000, -0.0041326600000000, 0.0014478800000000 ] - [ 0.0006734400000000, -0.0025638300000000, 0.0010491500000000 ] - [ -0.0009891800000000, -0.0004680500000000, 0.0003278300000000 ] - [ -0.0004944000000000, -0.0004622300000000, -0.0002832400000000 ] - [ -0.0000634000000000, 0.0024370200000000, 0.0004600700000000 ] - [ -0.0022526400000000, 0.0024373700000000, 0.0007038400000000 ] - [ 0.0081365400000000, -0.0003992300000000, 0.0119821600000000 ] - [ -0.0007853200000000, 0.0003145800000000, 0.0068958200000000 ] - [ -0.0013233400000000, -0.0019703800000000, -0.0057446800000000 ] - [ -0.0001541100000000, -0.0003020200000000, -0.0068144600000000 ] - [ -0.0002659200000000, -0.0036387300000000, -0.0014767600000000 ] - [ -0.0000110200000000, -0.0021220500000000, -0.0018145900000000 ] - [ -0.0008522700000000, 0.0007149900000000, 0.0009001000000000 ] - [ 0.0001885500000000, 0.0014758100000000, 0.0018508100000000 ] - [ 0.0016700300000000, 0.0010203200000000, -0.0033761100000000 ] - [ -0.0005084900000000, 0.0014091300000000, -0.0019588300000000 ] - [ 0.0013081600000000, -0.0058799100000000, 0.0032293300000000 ] - [ -0.0002689600000000, -0.0020311000000000, 0.0018190800000000 ] - [ -0.0007906000000000, -0.0035672800000000, 0.0043384600000000 ] - [ 0.0004350500000000, -0.0004358800000000, 0.0000456100000000 ] - [ -0.0019534900000000, 0.0048250700000000, 0.0015359200000000 ] - [ 0.0004423900000000, 0.0004670200000000, -0.0000435600000000 ] - [ -0.0003402600000000, -0.0028102000000000, 0.0013254200000000 ] - [ 0.0002746500000000, -0.0004810500000000, -0.0000191900000000 ] - [ -0.0006963600000000, -0.0056001000000000, 0.0006028700000000 ] - [ 0.0010794600000000, -0.0004016600000000, -0.0000201200000000 ] - [ -0.0006576600000000, 0.0012306300000000, -0.0000119600000000 ] - [ 0.0024893600000000, 0.0031652800000000, -0.0000637700000000 ] - [ 0.0005326600000000, -0.0008733700000000, 0.0002470000000000 ] - [ 0.0000104800000000, -0.0023075600000000, -0.0000268700000000 ] - [ 0.0023784000000000, 0.0035205200000000, 0.0009220700000000 ] - [ -0.0001650500000000, 0.0005488700000000, 0.0000733500000000 ] - [ -0.0007145100000000, 0.0024515900000000, -0.0002761100000000 ] - [ 0.0005683500000000, 0.0004882500000000, -0.0000442700000000 ] - [ -0.0016314800000000, 0.0012816200000000, -0.0004683300000000 ] - [ 0.0020384000000000, 0.0028940400000000, -0.0002160600000000 ] - [ 0.0078296400000000, -0.0021775600000000, -0.0027513200000000 ] - [ -0.0072865600000000, -0.0040577400000000, 0.0028444000000000 ] - [ -0.0439888200000000, -0.0517234500000000, 0.0138861800000000 ] - [ 0.0006253800000000, -0.0013697400000000, 0.0001569700000000 ] - [ -0.0004220800000000, -0.0057110000000000, 0.0011210300000000 ] - [ 0.0012427700000000, -0.0012610000000000, -0.0000928700000000 ] - [ -0.0130038500000000, -0.0693697800000000, 0.0543979600000000 ] - [ 0.0009500400000000, -0.0005629800000000, -0.0000497400000000 ] - [ -0.0029443800000000, 0.0101716300000000, -0.0073946300000000 ] - [ 0.0007772000000000, 0.0005726000000000, 0.0000491300000000 ] - [ 0.0005944500000000, 0.0039686600000000, -0.0003091600000000 ] - [ -0.0003059200000000, 0.0013461900000000, -0.0002458200000000 ] - [ -0.0095039300000000, 0.0104893800000000, 0.0029595200000000 ] - [ 0.0014515600000000, 0.0015761700000000, 0.0002767300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0446342300000000, 0.1023079100000000, -0.1287164700000000 ] - [ -0.0011433400000000, -0.0022463300000000, 0.0008800900000000 ] - [ 0.0001429500000000, -0.0145278200000000, 0.0043589900000000 ] - [ -0.0010371400000000, 0.0022977900000000, -0.0010313000000000 ] - [ -0.0004869600000000, 0.0013120000000000, 0.0003853500000000 ] - [ 0.0014467500000000, 0.0020123400000000, -0.0002873600000000 ] - [ 0.0011054400000000, -0.0027102100000000, -0.0012510600000000 ] - [ 0.0006690600000000, -0.0026158900000000, -0.0013648600000000 ] - [ 0.0010667800000000, 0.0024491200000000, -0.0012297400000000 ] - [ -0.0009119100000000, 0.0007896600000000, -0.0016620400000000 ] - [ 0.0000614000000000, -0.0014747300000000, 0.0004210300000000 ] - [ 0.0001873900000000, -0.0003935500000000, -0.0028100000000000 ] - [ -0.0011580500000000, -0.0053489700000000, -0.0021551900000000 ] - [ -0.0009951500000000, -0.0024222900000000, -0.0010442900000000 ] - [ 0.0005416400000000, 0.0013128400000000, -0.0046243800000000 ] - [ -0.0011796500000000, 0.0023580400000000, 0.0009223800000000 ] - [ 0.0017843800000000, -0.0005955800000000, 0.0073384100000000 ] - [ -0.0004194800000000, -0.0002144000000000, 0.0068492200000000 ] - [ -0.0080870700000000, -0.0033397400000000, -0.0064655900000000 ] - [ -0.0003611000000000, 0.0003794400000000, -0.0068944100000000 ] - [ -0.0159602700000000, -0.0049722600000000, 0.0196836200000000 ] - [ -0.0000658200000000, -0.0015272200000000, -0.0018427100000000 ] - [ 0.0035664500000000, 0.0064503400000000, 0.0001672800000000 ] - [ -0.0001771600000000, 0.0016478400000000, 0.0017559800000000 ] - [ -0.0009893900000000, 0.0034364200000000, -0.0025877500000000 ] - [ -0.0000127500000000, 0.0014454000000000, -0.0017324700000000 ] - [ 0.0027275500000000, -0.0026020000000000, 0.0094194000000000 ] - [ -0.0008095600000000, -0.0017079900000000, 0.0019946500000000 ] - [ -0.0007672300000000, -0.0025555200000000, 0.0013303300000000 ] - [ -0.0011358900000000, -0.0027984800000000, 0.0013308300000000 ] - [ -0.0013625200000000, 0.0017494600000000, -0.0001703400000000 ] - [ 0.0010814900000000, 0.0011151200000000, -0.0001690900000000 ] - [ 0.0018434400000000, 0.0037365800000000, 0.0032357800000000 ] - [ 0.0005559300000000, 0.0021565800000000, 0.0009996900000000 ] - [ -0.0057242300000000, 0.0002111700000000, 0.0169839000000000 ] - [ 0.0006138500000000, -0.0021051300000000, -0.0007561300000000 ] - [ -0.0000845900000000, -0.0014419100000000, 0.0025168000000000 ] - [ 0.0009546100000000, 0.0023405800000000, -0.0009312800000000 ] - [ 0.0011020800000000, -0.0027757400000000, 0.0015789800000000 ] - [ 0.0007576800000000, -0.0023820900000000, 0.0010359200000000 ] - [ -0.0016689500000000, -0.0016174400000000, 0.0004560400000000 ] - [ -0.0006119100000000, -0.0010003500000000, 0.0004608100000000 ] - [ -0.0005131400000000, 0.0020338700000000, 0.0015113000000000 ] - [ -0.0017676400000000, 0.0017871400000000, 0.0015115900000000 ] - [ 0.0094634600000000, -0.0051880600000000, 0.0120867600000000 ] - [ -0.0004238800000000, 0.0000847400000000, 0.0068269200000000 ] - [ -0.0006093800000000, -0.0009242000000000, -0.0059092900000000 ] - [ -0.0000675300000000, -0.0000823400000000, -0.0068514700000000 ] - [ -0.0000079400000000, -0.0019909500000000, -0.0018129600000000 ] - [ 0.0000199900000000, -0.0018414300000000, -0.0018708200000000 ] - [ 0.0002622000000000, 0.0021170500000000, 0.0024080100000000 ] - [ -0.0000048700000000, 0.0016926500000000, 0.0020758200000000 ] - [ -0.0000493800000000, 0.0032369500000000, -0.0018377800000000 ] - [ -0.0001643800000000, 0.0015317700000000, -0.0018863100000000 ] - [ -0.0000697200000000, -0.0016765500000000, 0.0013392200000000 ] - [ -0.0001200100000000, -0.0017449400000000, 0.0017766200000000 ] - [ -0.0026638100000000, -0.0041404500000000, -0.0061266900000000 ] - [ 0.0003105500000000, -0.0002681300000000, 0.0000151500000000 ] - [ -0.0000129700000000, -0.0002274300000000, 0.0011044800000000 ] - [ 0.0001547800000000, 0.0001261600000000, -0.0000311600000000 ] - [ -0.0030807000000000, -0.0003396300000000, -0.0065671300000000 ] - [ 0.0002367100000000, -0.0002257500000000, -0.0001594500000000 ] - [ -0.0013482200000000, -0.0013652500000000, 0.0029093100000000 ] - [ 0.0005791000000000, -0.0000123900000000, 0.0002870600000000 ] - [ 0.0003612100000000, -0.0000835600000000, -0.0000296200000000 ] - [ -0.0007439700000000, -0.0001211500000000, 0.0001703400000000 ] - [ -0.0004432600000000, -0.0005143200000000, 0.0001457400000000 ] - [ 0.0025571800000000, -0.0027452400000000, -0.0002685500000000 ] - [ -0.0000384000000000, 0.0011132400000000, 0.0008098800000000 ] - [ 0.0000659600000000, 0.0001341100000000, 0.0001351000000000 ] - [ -0.0002121200000000, 0.0015406000000000, -0.0013933100000000 ] - [ 0.0001940300000000, 0.0002173900000000, -0.0000912700000000 ] - [ -0.0008989400000000, 0.0002833600000000, -0.0000434600000000 ] - [ 0.0012024200000000, 0.0014121100000000, -0.0003190100000000 ] - [ 0.0046616800000000, -0.0005559100000000, -0.0015464300000000 ] - [ -0.0077918100000000, -0.0020211500000000, 0.0038372700000000 ] - [ -0.0153255600000000, -0.0149023700000000, 0.0221133500000000 ] - [ 0.0004633900000000, -0.0004498500000000, 0.0003380400000000 ] - [ 0.0067729200000000, -0.0055107000000000, -0.0056982900000000 ] - [ 0.0006476300000000, -0.0001813700000000, -0.0007574100000000 ] - [ -0.0102532700000000, -0.0547445400000000, 0.0698867700000000 ] - [ 0.0005646800000000, -0.0002993300000000, 0.0000536500000000 ] - [ -0.0018698400000000, 0.0039155400000000, -0.0052795200000000 ] - [ 0.0004010700000000, 0.0002393400000000, 0.0000490400000000 ] - [ 0.0006527800000000, 0.0014677800000000, -0.0016144600000000 ] - [ -0.0004185800000000, 0.0007615300000000, -0.0004983500000000 ] - [ -0.0010241900000000, 0.0016188600000000, 0.0025284300000000 ] - [ 0.0006587900000000, 0.0007098300000000, 0.0002938500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0470897200000000, -0.1103311600000000, 0.1331099700000000 ] - [ -0.0005772100000000, -0.0023042000000000, 0.0010047900000000 ] - [ -0.0018633500000000, 0.0190193900000000, -0.0063321300000000 ] - [ -0.0006860700000000, 0.0022526500000000, -0.0008530600000000 ] - [ 0.0022262700000000, 0.0032497300000000, 0.0015082900000000 ] - [ 0.0002759600000000, 0.0025327700000000, 0.0021777700000000 ] - [ 0.0006208500000000, -0.0018368200000000, -0.0006327600000000 ] - [ 0.0010572400000000, -0.0019303800000000, -0.0005234900000000 ] - [ 0.0006581300000000, 0.0021009000000000, -0.0006549900000000 ] - [ 0.0026699600000000, 0.0037847400000000, -0.0002414200000000 ] - [ 0.0016767000000000, -0.0030882400000000, 0.0014695800000000 ] - [ 0.0016182200000000, -0.0041826200000000, 0.0047077400000000 ] - [ -0.0005704000000000, 0.0007980300000000, 0.0002626600000000 ] - [ -0.0007285100000000, -0.0021274200000000, -0.0008415400000000 ] - [ -0.0022936600000000, 0.0032261300000000, 0.0065637700000000 ] - [ -0.0005396600000000, 0.0021899700000000, 0.0009633600000000 ] - [ -0.0017927300000000, 0.0005999600000000, 0.0062944600000000 ] - [ 0.0004252300000000, 0.0002168900000000, 0.0067888300000000 ] - [ 0.0082049500000000, 0.0033626300000000, -0.0071225100000000 ] - [ 0.0003795300000000, -0.0003896200000000, -0.0067323800000000 ] - [ 0.0156458400000000, 0.0017747600000000, -0.0229145100000000 ] - [ 0.0000710200000000, -0.0016153600000000, -0.0016742900000000 ] - [ -0.0035413100000000, -0.0032655900000000, 0.0034192500000000 ] - [ 0.0001795100000000, 0.0014907300000000, 0.0017624300000000 ] - [ 0.0009833100000000, -0.0003031500000000, -0.0008957500000000 ] - [ 0.0000203800000000, 0.0016940500000000, -0.0017767500000000 ] - [ -0.0026591700000000, -0.0005601600000000, -0.0059003900000000 ] - [ 0.0008088200000000, -0.0014352700000000, 0.0015157900000000 ] - [ -0.0009587100000000, -0.0019912200000000, 0.0005546700000000 ] - [ -0.0005883900000000, -0.0017469500000000, 0.0005552400000000 ] - [ -0.0003594200000000, 0.0028083600000000, -0.0017196200000000 ] - [ -0.0028223500000000, 0.0034462600000000, -0.0017184100000000 ] - [ -0.0001273400000000, 0.0007860500000000, -0.0013579700000000 ] - [ 0.0011751300000000, 0.0023958300000000, 0.0008899900000000 ] - [ 0.0075896600000000, -0.0048191300000000, -0.0192701900000000 ] - [ 0.0011167200000000, -0.0024475500000000, -0.0011293000000000 ] - [ 0.0018069400000000, 0.0059940000000000, -0.0043946200000000 ] - [ 0.0007740800000000, 0.0022092300000000, -0.0009509400000000 ] - [ 0.0006195300000000, -0.0017682100000000, 0.0003049600000000 ] - [ 0.0009722700000000, -0.0021685600000000, 0.0008503400000000 ] - [ -0.0000435900000000, -0.0029368300000000, -0.0023400200000000 ] - [ -0.0011290100000000, -0.0035616700000000, -0.0023351800000000 ] - [ -0.0012126800000000, 0.0025111200000000, 0.0003798000000000 ] - [ 0.0000427600000000, 0.0027581200000000, 0.0003800900000000 ] - [ -0.0096459300000000, 0.0052745200000000, 0.0014735900000000 ] - [ 0.0004316900000000, -0.0000845700000000, 0.0068123400000000 ] - [ 0.0006051700000000, 0.0009274300000000, -0.0077294800000000 ] - [ 0.0000716000000000, 0.0000829500000000, -0.0067853700000000 ] - [ 0.0000064000000000, -0.0011427900000000, -0.0016995400000000 ] - [ -0.0000183100000000, -0.0012954800000000, -0.0016432600000000 ] - [ -0.0002596400000000, 0.0010344500000000, 0.0011107200000000 ] - [ 0.0000046600000000, 0.0014477000000000, 0.0014392200000000 ] - [ 0.0000418400000000, -0.0000834900000000, -0.0016813000000000 ] - [ 0.0001682000000000, 0.0016095500000000, -0.0016281900000000 ] - [ 0.0000679400000000, -0.0014487700000000, 0.0021772300000000 ] - [ 0.0001221600000000, -0.0013932400000000, 0.0017400100000000 ] - [ 0.0026986600000000, 0.0042300300000000, 0.0063087400000000 ] - [ -0.0003152000000000, 0.0002695000000000, -0.0000142700000000 ] - [ 0.0000368000000000, 0.0002068700000000, -0.0011111600000000 ] - [ -0.0001601100000000, -0.0001286800000000, 0.0000325200000000 ] - [ 0.0031050400000000, 0.0003848200000000, 0.0065490300000000 ] - [ -0.0002432800000000, 0.0002291100000000, 0.0001602800000000 ] - [ 0.0013660100000000, 0.0013803700000000, -0.0029203400000000 ] - [ -0.0005983200000000, 0.0000044200000000, -0.0002799000000000 ] - [ -0.0003598200000000, 0.0000807300000000, 0.0000300200000000 ] - [ 0.0007210300000000, 0.0001010800000000, -0.0001677600000000 ] - [ 0.0004342500000000, 0.0005110700000000, -0.0001432400000000 ] - [ -0.0025462200000000, 0.0027451200000000, 0.0002891300000000 ] - [ 0.0000464200000000, -0.0011210500000000, -0.0008073500000000 ] - [ -0.0000690800000000, -0.0001343000000000, -0.0001327900000000 ] - [ 0.0002168900000000, -0.0015587800000000, 0.0013910000000000 ] - [ -0.0001988800000000, -0.0002199400000000, 0.0000921800000000 ] - [ 0.0009020600000000, -0.0002847000000000, 0.0000487300000000 ] - [ -0.0012077700000000, -0.0014215800000000, 0.0003261700000000 ] - [ -0.0046808600000000, 0.0005563300000000, 0.0015473400000000 ] - [ 0.0078299300000000, 0.0020709200000000, -0.0039153800000000 ] - [ 0.0152268500000000, 0.0148182600000000, -0.0222347400000000 ] - [ -0.0004727700000000, 0.0004561900000000, -0.0003366700000000 ] - [ -0.0068278400000000, 0.0055874700000000, 0.0056894200000000 ] - [ -0.0006505400000000, 0.0001893100000000, 0.0007545700000000 ] - [ 0.0111111000000000, 0.0582125300000000, -0.0724229100000000 ] - [ -0.0005831500000000, 0.0003005100000000, -0.0000564800000000 ] - [ 0.0018881100000000, -0.0039449700000000, 0.0053202100000000 ] - [ -0.0004087400000000, -0.0002419000000000, -0.0000482800000000 ] - [ -0.0006582900000000, -0.0014921200000000, 0.0016146600000000 ] - [ 0.0004186300000000, -0.0007680300000000, 0.0004987400000000 ] - [ 0.0010158200000000, -0.0016241000000000, -0.0025061500000000 ] - [ -0.0006682300000000, -0.0007149500000000, -0.0002928200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026941900000000, -0.0053367300000000, 0.0027242900000000 ] - [ 0.0008309700000000, -0.0014305300000000, 0.0005206700000000 ] - [ 0.0217894400000000, -0.0161431100000000, 0.0071010400000000 ] - [ 0.0030371000000000, 0.0017887600000000, -0.0005730200000000 ] - [ -0.0009887700000000, -0.0008116700000000, -0.0008529700000000 ] - [ 0.0025630400000000, 0.0031218600000000, 0.0013653200000000 ] - [ 0.0238278400000000, -0.0210425900000000, -0.0091926900000000 ] - [ 0.0047483800000000, -0.0027593400000000, -0.0013133200000000 ] - [ 0.0238278400000000, 0.0210425900000000, -0.0091926900000000 ] - [ 0.0047483800000000, 0.0027593400000000, -0.0013133200000000 ] - [ -0.0009887700000000, 0.0008116700000000, -0.0008529700000000 ] - [ 0.0025630400000000, -0.0031218600000000, 0.0013653200000000 ] - [ 0.0217894400000000, 0.0161431100000000, 0.0071010400000000 ] - [ 0.0030371000000000, -0.0017887600000000, -0.0005730200000000 ] - [ -0.0026941900000000, 0.0053367300000000, 0.0027242900000000 ] - [ 0.0008309700000000, 0.0014305300000000, 0.0005206700000000 ] - [ -0.3529061700000000, 0.0000000000000000, 0.0033855700000000 ] - [ 0.0046235000000000, 0.0000000000000000, 0.0068193500000000 ] - [ -0.0055625900000000, 0.0000000000000000, -0.0068198500000000 ] - [ 0.0028713800000000, 0.0000000000000000, -0.0068183500000000 ] - [ 0.0011532600000000, -0.0036678300000000, -0.0028378500000000 ] - [ 0.0011537500000000, 0.0005446800000000, -0.0006600200000000 ] - [ 0.0021555200000000, 0.0010089700000000, 0.0040946600000000 ] - [ 0.0021578900000000, 0.0021262900000000, -0.0006101300000000 ] - [ -0.0050799600000000, 0.0015589200000000, -0.0017352100000000 ] - [ 0.0019903200000000, 0.0015707700000000, -0.0017588700000000 ] - [ -0.0034015600000000, -0.0015820700000000, 0.0017495600000000 ] - [ 0.0017300000000000, -0.0015694700000000, 0.0017586000000000 ] - [ -0.0029728900000000, -0.0104905900000000, 0.0105366300000000 ] - [ 0.0017863100000000, -0.0014914000000000, 0.0005156900000000 ] - [ -0.0030150000000000, 0.0009737000000000, -0.0003402800000000 ] - [ 0.0010286100000000, 0.0021204500000000, -0.0008727600000000 ] - [ -0.0011691400000000, -0.0058672300000000, -0.0085719300000000 ] - [ 0.0035124200000000, 0.0030609900000000, 0.0013715000000000 ] - [ -0.0012760800000000, -0.0035864600000000, -0.0015548400000000 ] - [ 0.0027534300000000, -0.0024293900000000, -0.0010119000000000 ] - [ -0.0012760800000000, 0.0035864600000000, -0.0015548400000000 ] - [ 0.0027534300000000, 0.0024293900000000, -0.0010119000000000 ] - [ -0.0011691400000000, 0.0058672300000000, -0.0085719300000000 ] - [ 0.0035124200000000, -0.0030609900000000, 0.0013715000000000 ] - [ -0.0030150000000000, -0.0009737000000000, -0.0003402800000000 ] - [ 0.0010286100000000, -0.0021204500000000, -0.0008727600000000 ] - [ -0.0029728900000000, 0.0104905900000000, 0.0105366300000000 ] - [ 0.0017863100000000, 0.0014914000000000, 0.0005156900000000 ] - [ 0.0010692600000000, 0.0000000000000000, 0.0070687500000000 ] - [ 0.0010602300000000, 0.0000000000000000, 0.0065652900000000 ] - [ 0.0067196200000000, 0.0000000000000000, -0.0096108700000000 ] - [ 0.0066687500000000, 0.0000000000000000, -0.0040308900000000 ] - [ -0.0050799600000000, -0.0015589200000000, -0.0017352100000000 ] - [ 0.0019903200000000, -0.0015707700000000, -0.0017588700000000 ] - [ -0.0034015600000000, 0.0015820700000000, 0.0017495600000000 ] - [ 0.0017300000000000, 0.0015694700000000, 0.0017586000000000 ] - [ 0.0011532600000000, 0.0036678300000000, -0.0028378500000000 ] - [ 0.0011537500000000, -0.0005446800000000, -0.0006600200000000 ] - [ 0.0021555200000000, -0.0010089700000000, 0.0040946600000000 ] - [ 0.0021578900000000, -0.0021262900000000, -0.0006101300000000 ] - [ 0.0025579700000000, 0.0000000000000000, 0.0003832500000000 ] - [ -0.0026188300000000, 0.0000000000000000, -0.0001902400000000 ] - [ 0.0027499200000000, 0.0000000000000000, -0.0018754000000000 ] - [ -0.0032295900000000, 0.0000000000000000, 0.0005006200000000 ] - [ -0.0020999600000000, 0.0016992200000000, 0.0002321800000000 ] - [ -0.0020822900000000, -0.0016980000000000, -0.0002338300000000 ] - [ 0.0087987100000000, 0.0000454500000000, -0.0000154500000000 ] - [ -0.0031613400000000, -0.0000020600000000, 0.0000006500000000 ] - [ 0.0027943500000000, 0.0000000000000000, 0.0018844700000000 ] - [ -0.0032297800000000, 0.0000000000000000, -0.0004989400000000 ] - [ 0.0025814800000000, 0.0000000000000000, -0.0003908600000000 ] - [ -0.0026183800000000, 0.0000000000000000, 0.0001911600000000 ] - [ 0.0087987100000000, -0.0000454500000000, -0.0000154500000000 ] - [ -0.0031613400000000, 0.0000020600000000, 0.0000006500000000 ] - [ -0.0020999600000000, -0.0016992200000000, 0.0002321800000000 ] - [ -0.0020822900000000, 0.0016980000000000, -0.0002338300000000 ] - [ 0.1272823800000000, 0.0000000000000000, 0.0442739000000000 ] - [ -0.0069376000000000, 0.0000000000000000, 0.0015117200000000 ] - [ 0.0036805900000000, 0.0000000000000000, 0.0012475300000000 ] - [ -0.0036273400000000, 0.0000000000000000, -0.0004387600000000 ] - [ -0.0093012000000000, 0.0085349500000000, -0.0021813800000000 ] - [ -0.0093134800000000, -0.0085535200000000, 0.0021901800000000 ] - [ 0.0185819100000000, 0.0000201300000000, 0.0000117100000000 ] - [ -0.0050810600000000, -0.0000017500000000, -0.0000006500000000 ] - [ 0.0036575000000000, 0.0000000000000000, -0.0012206100000000 ] - [ -0.0036213800000000, 0.0000000000000000, 0.0004388500000000 ] - [ 0.1190492200000000, 0.0000000000000000, -0.0405618600000000 ] - [ -0.0069384400000000, 0.0000000000000000, -0.0015250000000000 ] - [ 0.0185819100000000, -0.0000201300000000, 0.0000117100000000 ] - [ -0.0050810600000000, 0.0000017500000000, -0.0000006500000000 ] - [ -0.0093012000000000, -0.0085349500000000, -0.0021813800000000 ] - [ -0.0093134800000000, 0.0085535200000000, 0.0021901800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011732200000000, -0.0005493300000000, 0.0003452000000000 ] - [ -0.0004406200000000, -0.0017404300000000, 0.0007270500000000 ] - [ -0.0155084100000000, 0.0062568800000000, -0.0043197200000000 ] - [ 0.0005919700000000, 0.0015267000000000, -0.0005576800000000 ] - [ 0.0005545700000000, 0.0040047200000000, 0.0015411600000000 ] - [ 0.0012864000000000, 0.0028117700000000, 0.0011592500000000 ] - [ -0.0136496100000000, 0.0017030500000000, 0.0023829500000000 ] - [ 0.0023157200000000, -0.0030227200000000, -0.0013274500000000 ] - [ 0.0155084100000000, 0.0062568800000000, -0.0043197200000000 ] - [ -0.0005919700000000, 0.0015267000000000, -0.0005576800000000 ] - [ 0.0011732200000000, -0.0005493300000000, 0.0003452000000000 ] - [ 0.0004406200000000, -0.0017404300000000, 0.0007270500000000 ] - [ 0.0136496100000000, 0.0017030500000000, 0.0023829500000000 ] - [ -0.0023157200000000, -0.0030227200000000, -0.0013274500000000 ] - [ -0.0005545700000000, 0.0040047200000000, 0.0015411600000000 ] - [ -0.0012864000000000, 0.0028117700000000, 0.0011592500000000 ] - [ 0.0000000000000000, -0.0329700800000000, 0.0071749200000000 ] - [ 0.0000000000000000, -0.0007123400000000, 0.0068191600000000 ] - [ 0.0000000000000000, 0.0022625600000000, -0.0068209900000000 ] - [ 0.0000000000000000, 0.0003616800000000, -0.0068188500000000 ] - [ -0.0007195700000000, -0.0003866200000000, -0.0013974800000000 ] - [ 0.0007195700000000, -0.0003866200000000, -0.0013974800000000 ] - [ -0.0010830900000000, 0.0012249900000000, 0.0007762500000000 ] - [ 0.0010830900000000, 0.0012249900000000, 0.0007762500000000 ] - [ 0.0000000000000000, 0.0012173000000000, -0.0031543500000000 ] - [ 0.0000000000000000, 0.0015108400000000, -0.0018805000000000 ] - [ 0.0000000000000000, 0.0031103400000000, 0.0034343200000000 ] - [ 0.0000000000000000, -0.0014351000000000, 0.0018407400000000 ] - [ -0.0063199100000000, -0.0018853500000000, -0.0042680900000000 ] - [ -0.0007475400000000, -0.0025914700000000, 0.0010271300000000 ] - [ -0.0015403800000000, 0.0042497800000000, -0.0018676600000000 ] - [ -0.0007533200000000, 0.0025798700000000, -0.0010255100000000 ] - [ -0.0046213400000000, 0.0026527800000000, 0.0061947200000000 ] - [ 0.0009785900000000, 0.0019586400000000, 0.0008584800000000 ] - [ 0.0001816400000000, -0.0003078000000000, -0.0000165100000000 ] - [ 0.0009738500000000, -0.0019721200000000, -0.0008606500000000 ] - [ 0.0015403800000000, 0.0042497800000000, -0.0018676600000000 ] - [ 0.0007533200000000, 0.0025798700000000, -0.0010255100000000 ] - [ 0.0063199100000000, -0.0018853500000000, -0.0042680900000000 ] - [ 0.0007475400000000, -0.0025914700000000, 0.0010271300000000 ] - [ -0.0001816400000000, -0.0003078000000000, -0.0000165100000000 ] - [ -0.0009738500000000, -0.0019721200000000, -0.0008606500000000 ] - [ 0.0046213400000000, 0.0026527800000000, 0.0061947200000000 ] - [ -0.0009785900000000, 0.0019586400000000, 0.0008584800000000 ] - [ -0.0000011000000000, 0.0008853100000000, 0.0068181300000000 ] - [ 0.0000011000000000, 0.0008853100000000, 0.0068181300000000 ] - [ 0.0000169200000000, -0.0016224700000000, -0.0068233500000000 ] - [ -0.0000169200000000, -0.0016224700000000, -0.0068233500000000 ] - [ 0.0000000000000000, -0.0019188900000000, -0.0003867300000000 ] - [ 0.0000000000000000, -0.0016293000000000, -0.0016365400000000 ] - [ 0.0000000000000000, 0.0062101900000000, 0.0001186500000000 ] - [ 0.0000000000000000, 0.0017057700000000, 0.0016766400000000 ] - [ 0.0007174500000000, 0.0027549400000000, -0.0021163900000000 ] - [ -0.0007174500000000, 0.0027549400000000, -0.0021163900000000 ] - [ 0.0010830500000000, -0.0019128600000000, 0.0027371600000000 ] - [ -0.0010830500000000, -0.0019128600000000, 0.0027371600000000 ] - [ 0.0000074100000000, -0.0029158500000000, 0.0000003200000000 ] - [ -0.0000003500000000, -0.0009196600000000, 0.0000000200000000 ] - [ -0.0000019500000000, 0.0043221000000000, 0.0000006000000000 ] - [ 0.0000002400000000, 0.0011612900000000, 0.0000003400000000 ] - [ 0.0014839200000000, -0.0006394000000000, -0.0000971200000000 ] - [ -0.0014839200000000, -0.0006394000000000, -0.0000971200000000 ] - [ 0.0000000000000000, -0.0052083200000000, 0.0035194900000000 ] - [ 0.0000000000000000, -0.0001698500000000, 0.0000522000000000 ] - [ 0.0000019500000000, 0.0043221000000000, 0.0000006000000000 ] - [ -0.0000002400000000, 0.0011612900000000, 0.0000003400000000 ] - [ -0.0000074100000000, -0.0029158500000000, 0.0000003200000000 ] - [ 0.0000003500000000, -0.0009196600000000, 0.0000000200000000 ] - [ 0.0000000000000000, -0.0053211100000000, -0.0035437800000000 ] - [ 0.0000000000000000, -0.0001704400000000, -0.0000520200000000 ] - [ -0.0014877800000000, -0.0006440100000000, 0.0000980100000000 ] - [ 0.0014877800000000, -0.0006440100000000, 0.0000980100000000 ] - [ -0.0002548900000000, 0.0161576200000000, -0.0001466800000000 ] - [ -0.0000012800000000, 0.0019837500000000, -0.0000013800000000 ] - [ -0.0000027800000000, -0.0044432300000000, 0.0000024500000000 ] - [ 0.0000006300000000, -0.0012098300000000, 0.0000004800000000 ] - [ 0.0040252400000000, -0.0035932800000000, 0.0010364900000000 ] - [ -0.0040252400000000, -0.0035932800000000, 0.0010364900000000 ] - [ 0.0000000000000000, -0.0056204800000000, -0.0043414900000000 ] - [ 0.0000000000000000, -0.0000588500000000, 0.0000044300000000 ] - [ 0.0000027800000000, -0.0044432300000000, 0.0000024500000000 ] - [ -0.0000006300000000, -0.0012098300000000, 0.0000004800000000 ] - [ 0.0002548900000000, 0.0161576200000000, -0.0001466800000000 ] - [ 0.0000012800000000, 0.0019837500000000, -0.0000013800000000 ] - [ 0.0000000000000000, -0.0056521600000000, 0.0043108200000000 ] - [ 0.0000000000000000, -0.0000603700000000, -0.0000041200000000 ] - [ -0.0040298500000000, -0.0036034500000000, -0.0010365600000000 ] - [ 0.0040298500000000, -0.0036034500000000, -0.0010365600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010047200000000, -0.0030179700000000, 0.0014647600000000 ] - [ -0.0008347200000000, -0.0022822800000000, 0.0009728800000000 ] - [ 0.0090752200000000, -0.0040670600000000, -0.0006002700000000 ] - [ -0.0015506900000000, 0.0024473400000000, -0.0010245900000000 ] - [ 0.0010047200000000, 0.0030179700000000, 0.0014647600000000 ] - [ 0.0008347200000000, 0.0022822800000000, 0.0009728800000000 ] - [ -0.0090752200000000, 0.0040670600000000, -0.0006002700000000 ] - [ 0.0015506900000000, -0.0024473400000000, -0.0010245900000000 ] - [ -0.0090752200000000, -0.0040670600000000, -0.0006002700000000 ] - [ 0.0015506900000000, 0.0024473400000000, -0.0010245900000000 ] - [ 0.0010047200000000, -0.0030179700000000, 0.0014647600000000 ] - [ 0.0008347200000000, -0.0022822800000000, 0.0009728800000000 ] - [ 0.0090752200000000, 0.0040670600000000, -0.0006002700000000 ] - [ -0.0015506900000000, -0.0024473400000000, -0.0010245900000000 ] - [ -0.0010047200000000, 0.0030179700000000, 0.0014647600000000 ] - [ -0.0008347200000000, 0.0022822800000000, 0.0009728800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0745575100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0064906700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060638900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0067976000000000 ] - [ 0.0000463000000000, -0.0020213800000000, -0.0027952500000000 ] - [ -0.0000463000000000, -0.0020213800000000, -0.0027952500000000 ] - [ -0.0000316700000000, 0.0016762900000000, 0.0033517700000000 ] - [ 0.0000316700000000, 0.0016762900000000, 0.0033517700000000 ] - [ 0.0000000000000000, 0.0000448500000000, 0.0038126600000000 ] - [ 0.0000000000000000, 0.0015232600000000, -0.0016015500000000 ] - [ 0.0000000000000000, -0.0009499900000000, -0.0001473800000000 ] - [ 0.0000000000000000, -0.0015649100000000, 0.0016560400000000 ] - [ 0.0052086500000000, -0.0075009200000000, 0.0062699000000000 ] - [ -0.0010424200000000, -0.0023525900000000, 0.0009499100000000 ] - [ -0.0010049100000000, 0.0012102900000000, -0.0000339300000000 ] - [ -0.0009218300000000, 0.0022716400000000, -0.0009763700000000 ] - [ -0.0052086500000000, 0.0075009200000000, 0.0062699000000000 ] - [ 0.0010424200000000, 0.0023525900000000, 0.0009499100000000 ] - [ 0.0010049100000000, -0.0012102900000000, -0.0000339300000000 ] - [ 0.0009218300000000, -0.0022716400000000, -0.0009763700000000 ] - [ 0.0010049100000000, 0.0012102900000000, -0.0000339300000000 ] - [ 0.0009218300000000, 0.0022716400000000, -0.0009763700000000 ] - [ -0.0052086500000000, -0.0075009200000000, 0.0062699000000000 ] - [ 0.0010424200000000, -0.0023525900000000, 0.0009499100000000 ] - [ -0.0010049100000000, -0.0012102900000000, -0.0000339300000000 ] - [ -0.0009218300000000, -0.0022716400000000, -0.0009763700000000 ] - [ 0.0052086500000000, 0.0075009200000000, 0.0062699000000000 ] - [ -0.0010424200000000, 0.0023525900000000, 0.0009499100000000 ] - [ -0.0002522800000000, 0.0000000000000000, 0.0070375500000000 ] - [ 0.0002522800000000, 0.0000000000000000, 0.0070375500000000 ] - [ -0.0027789200000000, 0.0000000000000000, -0.0069394700000000 ] - [ 0.0027789200000000, 0.0000000000000000, -0.0069394700000000 ] - [ 0.0000000000000000, -0.0000448500000000, 0.0038126600000000 ] - [ 0.0000000000000000, -0.0015232600000000, -0.0016015500000000 ] - [ 0.0000000000000000, 0.0009499900000000, -0.0001473800000000 ] - [ 0.0000000000000000, 0.0015649100000000, 0.0016560400000000 ] - [ 0.0000463000000000, 0.0020213800000000, -0.0027952500000000 ] - [ -0.0000463000000000, 0.0020213800000000, -0.0027952500000000 ] - [ -0.0000316700000000, -0.0016762900000000, 0.0033517700000000 ] - [ 0.0000316700000000, -0.0016762900000000, 0.0033517700000000 ] - [ 0.0005177700000000, 0.0000000000000000, 0.0004254700000000 ] - [ 0.0000937600000000, 0.0000000000000000, -0.0000222100000000 ] - [ -0.0014822600000000, 0.0000000000000000, -0.0048455800000000 ] - [ -0.0000047800000000, 0.0000000000000000, -0.0001900300000000 ] - [ 0.0018485800000000, -0.0009144200000000, -0.0002178900000000 ] - [ -0.0018485800000000, -0.0009144200000000, -0.0002178900000000 ] - [ 0.0000000000000000, 0.0045238100000000, -0.0001233000000000 ] - [ 0.0000000000000000, 0.0001663800000000, -0.0000698900000000 ] - [ 0.0014822600000000, 0.0000000000000000, -0.0048455800000000 ] - [ 0.0000047800000000, 0.0000000000000000, -0.0001900300000000 ] - [ -0.0005177700000000, 0.0000000000000000, 0.0004254700000000 ] - [ -0.0000937600000000, 0.0000000000000000, -0.0000222100000000 ] - [ 0.0000000000000000, -0.0045238100000000, -0.0001233000000000 ] - [ 0.0000000000000000, -0.0001663800000000, -0.0000698900000000 ] - [ 0.0018485800000000, 0.0009144200000000, -0.0002178900000000 ] - [ -0.0018485800000000, 0.0009144200000000, -0.0002178900000000 ] - [ 0.0454438300000000, 0.0000000000000000, 0.0348706500000000 ] - [ 0.0006614700000000, 0.0000000000000000, 0.0010519400000000 ] - [ -0.0004688900000000, 0.0000000000000000, -0.0019645900000000 ] - [ 0.0001050800000000, 0.0000000000000000, -0.0001325600000000 ] - [ -0.0018905800000000, 0.0018051900000000, -0.0011289700000000 ] - [ 0.0018905800000000, 0.0018051900000000, -0.0011289700000000 ] - [ 0.0000000000000000, -0.0069117400000000, -0.0048167300000000 ] - [ 0.0000000000000000, -0.0000411800000000, -0.0000007900000000 ] - [ 0.0004688900000000, 0.0000000000000000, -0.0019645900000000 ] - [ -0.0001050800000000, 0.0000000000000000, -0.0001325600000000 ] - [ -0.0454438300000000, 0.0000000000000000, 0.0348706500000000 ] - [ -0.0006614700000000, 0.0000000000000000, 0.0010519400000000 ] - [ 0.0000000000000000, 0.0069117400000000, -0.0048167300000000 ] - [ 0.0000000000000000, 0.0000411800000000, -0.0000007900000000 ] - [ -0.0018905800000000, -0.0018051900000000, -0.0011289700000000 ] - [ 0.0018905800000000, -0.0018051900000000, -0.0011289700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007185800000000, -0.0015332300000000, 0.0004209100000000 ] - [ -0.0008938700000000, -0.0022701300000000, 0.0009126800000000 ] - [ -0.0108007400000000, 0.0086323100000000, -0.0012572600000000 ] - [ -0.0001744300000000, 0.0021016800000000, -0.0008623900000000 ] - [ 0.0007185800000000, 0.0015332300000000, 0.0004209100000000 ] - [ 0.0008938700000000, 0.0022701300000000, 0.0009126800000000 ] - [ 0.0108007400000000, -0.0086323100000000, -0.0012572600000000 ] - [ 0.0001744300000000, -0.0021016800000000, -0.0008623900000000 ] - [ 0.0108007400000000, 0.0086323100000000, -0.0012572600000000 ] - [ 0.0001744300000000, 0.0021016800000000, -0.0008623900000000 ] - [ 0.0007185800000000, -0.0015332300000000, 0.0004209100000000 ] - [ 0.0008938700000000, -0.0022701300000000, 0.0009126800000000 ] - [ -0.0108007400000000, -0.0086323100000000, -0.0012572600000000 ] - [ -0.0001744300000000, -0.0021016800000000, -0.0008623900000000 ] - [ -0.0007185800000000, 0.0015332300000000, 0.0004209100000000 ] - [ -0.0008938700000000, 0.0022701300000000, 0.0009126800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0887377700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071470000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0075712600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0068406900000000 ] - [ -0.0000466800000000, -0.0011151500000000, -0.0007208500000000 ] - [ 0.0000466800000000, -0.0011151500000000, -0.0007208500000000 ] - [ 0.0000340100000000, 0.0014609700000000, 0.0001682300000000 ] - [ -0.0000340100000000, 0.0014609700000000, 0.0001682300000000 ] - [ 0.0000000000000000, 0.0031190500000000, -0.0073669400000000 ] - [ 0.0000000000000000, 0.0016169100000000, -0.0019155900000000 ] - [ 0.0000000000000000, -0.0021935600000000, 0.0036587900000000 ] - [ 0.0000000000000000, -0.0015754800000000, 0.0018601800000000 ] - [ -0.0068391700000000, 0.0028860700000000, -0.0043430800000000 ] - [ -0.0006851000000000, -0.0021985500000000, 0.0009354600000000 ] - [ -0.0007198900000000, 0.0033359300000000, -0.0018538600000000 ] - [ -0.0008050300000000, 0.0022798300000000, -0.0009101700000000 ] - [ 0.0068391700000000, -0.0028860700000000, -0.0043430800000000 ] - [ 0.0006851000000000, 0.0021985500000000, 0.0009354600000000 ] - [ 0.0007198900000000, -0.0033359300000000, -0.0018538600000000 ] - [ 0.0008050300000000, -0.0022798300000000, -0.0009101700000000 ] - [ 0.0007198900000000, 0.0033359300000000, -0.0018538600000000 ] - [ 0.0008050300000000, 0.0022798300000000, -0.0009101700000000 ] - [ 0.0068391700000000, 0.0028860700000000, -0.0043430800000000 ] - [ 0.0006851000000000, -0.0021985500000000, 0.0009354600000000 ] - [ -0.0007198900000000, -0.0033359300000000, -0.0018538600000000 ] - [ -0.0008050300000000, -0.0022798300000000, -0.0009101700000000 ] - [ -0.0068391700000000, -0.0028860700000000, -0.0043430800000000 ] - [ -0.0006851000000000, 0.0021985500000000, 0.0009354600000000 ] - [ 0.0002516500000000, 0.0000000000000000, 0.0066000100000000 ] - [ -0.0002516500000000, 0.0000000000000000, 0.0066000100000000 ] - [ 0.0028006500000000, 0.0000000000000000, -0.0067064100000000 ] - [ -0.0028006500000000, 0.0000000000000000, -0.0067064100000000 ] - [ 0.0000000000000000, -0.0031190500000000, -0.0073669400000000 ] - [ 0.0000000000000000, -0.0016169100000000, -0.0019155900000000 ] - [ 0.0000000000000000, 0.0021935600000000, 0.0036587900000000 ] - [ 0.0000000000000000, 0.0015754800000000, 0.0018601800000000 ] - [ -0.0000466800000000, 0.0011151500000000, -0.0007208500000000 ] - [ 0.0000466800000000, 0.0011151500000000, -0.0007208500000000 ] - [ 0.0000340100000000, -0.0014609700000000, 0.0001682300000000 ] - [ -0.0000340100000000, -0.0014609700000000, 0.0001682300000000 ] - [ -0.0005214200000000, 0.0000000000000000, -0.0004249400000000 ] - [ -0.0000941500000000, 0.0000000000000000, 0.0000217600000000 ] - [ 0.0015028100000000, 0.0000000000000000, 0.0048445700000000 ] - [ 0.0000057600000000, 0.0000000000000000, 0.0001891100000000 ] - [ -0.0018437800000000, 0.0009121500000000, 0.0002156500000000 ] - [ 0.0018437800000000, 0.0009121500000000, 0.0002156500000000 ] - [ 0.0000000000000000, -0.0045025700000000, 0.0001016300000000 ] - [ 0.0000000000000000, -0.0001664200000000, 0.0000694500000000 ] - [ -0.0015028100000000, 0.0000000000000000, 0.0048445700000000 ] - [ -0.0000057600000000, 0.0000000000000000, 0.0001891100000000 ] - [ 0.0005214200000000, 0.0000000000000000, -0.0004249400000000 ] - [ 0.0000941500000000, 0.0000000000000000, 0.0000217600000000 ] - [ 0.0000000000000000, 0.0045025700000000, 0.0001016300000000 ] - [ 0.0000000000000000, 0.0001664200000000, 0.0000694500000000 ] - [ -0.0018437800000000, -0.0009121500000000, 0.0002156500000000 ] - [ 0.0018437800000000, -0.0009121500000000, 0.0002156500000000 ] - [ -0.0446403000000000, 0.0000000000000000, -0.0352028200000000 ] - [ -0.0006605200000000, 0.0000000000000000, -0.0010509300000000 ] - [ 0.0004688100000000, 0.0000000000000000, 0.0019599100000000 ] - [ -0.0001053100000000, 0.0000000000000000, 0.0001320000000000 ] - [ 0.0018650900000000, -0.0017832000000000, 0.0011274100000000 ] - [ -0.0018650900000000, -0.0017832000000000, 0.0011274100000000 ] - [ 0.0000000000000000, 0.0068905400000000, 0.0048287000000000 ] - [ 0.0000000000000000, 0.0000406600000000, -0.0000003700000000 ] - [ -0.0004688100000000, 0.0000000000000000, 0.0019599100000000 ] - [ 0.0001053100000000, 0.0000000000000000, 0.0001320000000000 ] - [ 0.0446403000000000, 0.0000000000000000, -0.0352028200000000 ] - [ 0.0006605200000000, 0.0000000000000000, -0.0010509300000000 ] - [ 0.0000000000000000, -0.0068905400000000, 0.0048287000000000 ] - [ 0.0000000000000000, -0.0000406600000000, -0.0000003700000000 ] - [ 0.0018650900000000, 0.0017832000000000, 0.0011274100000000 ] - [ -0.0018650900000000, 0.0017832000000000, 0.0011274100000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016367400000000, 0.0005161200000000, -0.0149148600000000 ] - [ 0.0007001700000000, -0.0019970400000000, 0.0008735900000000 ] - [ 0.0003682300000000, -0.0051803600000000, -0.0045113900000000 ] - [ 0.0004743000000000, 0.0022992400000000, -0.0007643000000000 ] - [ 0.0020357100000000, 0.0027861400000000, 0.0011098500000000 ] - [ -0.0006752100000000, 0.0006014400000000, 0.0009889100000000 ] - [ 0.0017736800000000, -0.0025449900000000, -0.0010637500000000 ] - [ -0.0004257600000000, -0.0009551300000000, -0.0010107000000000 ] - [ 0.0022001600000000, 0.0022486600000000, -0.0011210700000000 ] - [ 0.0021208100000000, 0.0097092300000000, 0.0025969800000000 ] - [ 0.0024273800000000, -0.0025549100000000, 0.0010108800000000 ] - [ 0.0033651500000000, -0.0050717900000000, 0.0166893000000000 ] - [ -0.0021505500000000, -0.0035866300000000, -0.0008731800000000 ] - [ 0.0000490600000000, -0.0020048400000000, -0.0008219200000000 ] - [ -0.0024020800000000, 0.0039532900000000, 0.0008976100000000 ] - [ 0.0003097200000000, 0.0017660800000000, 0.0007772600000000 ] - [ 0.0011469200000000, -0.0007168100000000, 0.0068627500000000 ] - [ 0.0011598900000000, 0.0007201700000000, 0.0067699600000000 ] - [ 0.0021555800000000, 0.0010824000000000, -0.0067830100000000 ] - [ 0.0021581000000000, -0.0010837100000000, -0.0068489700000000 ] - [ -0.0591478200000000, -0.0022524600000000, -0.0017265000000000 ] - [ 0.0015765000000000, -0.0015711000000000, -0.0017590600000000 ] - [ -0.0031099500000000, 0.0015709100000000, 0.0017793400000000 ] - [ 0.0010527100000000, 0.0015694600000000, 0.0017587000000000 ] - [ 0.0007821300000000, 0.0008612300000000, -0.0016608500000000 ] - [ 0.0007850000000000, 0.0022760000000000, -0.0018496200000000 ] - [ 0.0055641600000000, -0.0032910600000000, 0.0027363300000000 ] - [ 0.0055069200000000, 0.0001277800000000, 0.0007852500000000 ] - [ -0.0001971000000000, -0.0022659000000000, 0.0009611300000000 ] - [ -0.0015265700000000, -0.0020042300000000, 0.0009342800000000 ] - [ -0.0000872200000000, 0.0024659100000000, -0.0009379500000000 ] - [ -0.0013179700000000, 0.0014236000000000, -0.0012036500000000 ] - [ 0.0018371200000000, -0.0005908600000000, 0.0019337800000000 ] - [ 0.0023729200000000, 0.0032331000000000, 0.0009607800000000 ] - [ 0.0027133600000000, -0.0019656100000000, 0.0017673400000000 ] - [ 0.0025361500000000, -0.0028372900000000, -0.0017500100000000 ] - [ 0.0004116400000000, 0.0031331000000000, -0.0006815700000000 ] - [ 0.0016402400000000, 0.0020870200000000, -0.0009473100000000 ] - [ 0.0001965700000000, -0.0025438700000000, 0.0009488300000000 ] - [ 0.0015318600000000, -0.0022850700000000, 0.0009228000000000 ] - [ 0.0008121000000000, -0.0017128400000000, -0.0001319100000000 ] - [ 0.0009711800000000, -0.0025928200000000, -0.0036193900000000 ] - [ 0.0006466400000000, 0.0013122900000000, 0.0009274900000000 ] - [ 0.0001211100000000, 0.0051219700000000, -0.0000393100000000 ] - [ -0.0050801400000000, 0.0000025100000000, 0.0068232100000000 ] - [ 0.0019902800000000, 0.0000005900000000, 0.0068188300000000 ] - [ -0.0034014500000000, 0.0000084600000000, -0.0068205400000000 ] - [ 0.0017301600000000, -0.0000005300000000, -0.0068185800000000 ] - [ 0.0001874800000000, -0.0016543000000000, -0.0018290200000000 ] - [ 0.0001881300000000, -0.0014842000000000, -0.0016872200000000 ] - [ -0.0000923700000000, 0.0020506100000000, 0.0019265100000000 ] - [ -0.0000796800000000, 0.0010843700000000, 0.0015894800000000 ] - [ -0.0054931800000000, 0.0015728400000000, -0.0017596500000000 ] - [ 0.0008096000000000, 0.0015708600000000, -0.0017583600000000 ] - [ -0.0011130300000000, -0.0015688200000000, 0.0017587200000000 ] - [ 0.0007165700000000, -0.0015699700000000, 0.0017583700000000 ] - [ 0.0092046000000000, 0.0015517400000000, -0.0000627300000000 ] - [ -0.0021021500000000, 0.0010321600000000, -0.0001833900000000 ] - [ 0.0011939700000000, 0.0009595900000000, 0.0004890700000000 ] - [ -0.0011675800000000, -0.0003662400000000, 0.0001775500000000 ] - [ 0.0043885300000000, 0.0000990800000000, -0.0001338700000000 ] - [ -0.0019509800000000, 0.0000009600000000, -0.0000003800000000 ] - [ -0.0025892700000000, 0.0010233000000000, 0.0012462600000000 ] - [ -0.0025978900000000, -0.0010120500000000, -0.0012338800000000 ] - [ -0.0011661200000000, 0.0003665300000000, -0.0001776600000000 ] - [ 0.0011915800000000, -0.0009644400000000, -0.0004957100000000 ] - [ -0.0021059800000000, -0.0010393800000000, 0.0001838900000000 ] - [ 0.0087177600000000, -0.0010317800000000, 0.0001088600000000 ] - [ -0.0004021200000000, -0.0003754900000000, 0.0001025100000000 ] - [ -0.0004037100000000, 0.0003722800000000, -0.0001030100000000 ] - [ 0.0016371700000000, -0.0000039000000000, 0.0000020000000000 ] - [ -0.0012074100000000, -0.0000008300000000, 0.0000000400000000 ] - [ -0.0024328900000000, 0.0008197900000000, 0.0003094600000000 ] - [ 0.0018903800000000, -0.0050475300000000, 0.0017308600000000 ] - [ -0.0031679600000000, -0.0008097100000000, -0.0001029400000000 ] - [ 0.0029422200000000, 0.0068861300000000, -0.0020723200000000 ] - [ 0.0268092800000000, 0.0001172700000000, 0.0001316100000000 ] - [ -0.0033274800000000, 0.0000020600000000, 0.0000010700000000 ] - [ -0.0038258600000000, 0.0025257500000000, -0.0026385700000000 ] - [ -0.0038211000000000, -0.0025034100000000, 0.0026172700000000 ] - [ 0.0029405100000000, -0.0068727300000000, 0.0020411700000000 ] - [ -0.0031707700000000, 0.0008054700000000, 0.0001010400000000 ] - [ 0.0019089300000000, 0.0050254200000000, -0.0017018800000000 ] - [ -0.0024403000000000, -0.0008155500000000, -0.0003066800000000 ] - [ -0.0007513100000000, -0.0008186000000000, -0.0002100100000000 ] - [ -0.0007511600000000, 0.0008112100000000, 0.0002115400000000 ] - [ 0.0044255100000000, -0.0000037400000000, -0.0000059100000000 ] - [ -0.0023304600000000, -0.0000016400000000, 0.0000001100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010730200000000, -0.0086772400000000, -0.0023768200000000 ] - [ -0.0009795700000000, -0.0025899000000000, 0.0009868100000000 ] - [ -0.0083551400000000, 0.0109539000000000, 0.0038689000000000 ] - [ -0.0006048600000000, 0.0019780700000000, -0.0008646500000000 ] - [ 0.0010299300000000, 0.0024335400000000, 0.0009815700000000 ] - [ -0.0002048700000000, 0.0028105300000000, -0.0007267300000000 ] - [ 0.0005962300000000, -0.0018144000000000, -0.0007680300000000 ] - [ -0.0007249700000000, 0.0020452700000000, -0.0008322700000000 ] - [ 0.0006048600000000, 0.0019780700000000, -0.0008646500000000 ] - [ 0.0083551400000000, 0.0109539000000000, 0.0038689000000000 ] - [ 0.0009795700000000, -0.0025899000000000, 0.0009868100000000 ] - [ -0.0010730200000000, -0.0086772400000000, -0.0023768200000000 ] - [ 0.0007249700000000, 0.0020452700000000, -0.0008322700000000 ] - [ -0.0005962300000000, -0.0018144000000000, -0.0007680300000000 ] - [ 0.0002048700000000, 0.0028105300000000, -0.0007267300000000 ] - [ -0.0010299300000000, 0.0024335400000000, 0.0009815700000000 ] - [ -0.0020993600000000, 0.0011835900000000, 0.0063680500000000 ] - [ 0.0020993600000000, 0.0011835900000000, 0.0063680500000000 ] - [ 0.0005517500000000, -0.0003503100000000, -0.0067105400000000 ] - [ -0.0005517500000000, -0.0003503100000000, -0.0067105400000000 ] - [ 0.0000000000000000, -0.0830077600000000, -0.0149292900000000 ] - [ 0.0000000000000000, -0.0018447100000000, -0.0017940000000000 ] - [ 0.0000000000000000, 0.0007245400000000, 0.0054253100000000 ] - [ 0.0000000000000000, 0.0014103400000000, 0.0017438300000000 ] - [ -0.0007064200000000, 0.0007397700000000, -0.0015230800000000 ] - [ 0.0007064200000000, 0.0007397700000000, -0.0015230800000000 ] - [ 0.0017051200000000, -0.0043374300000000, 0.0021884100000000 ] - [ -0.0017051200000000, -0.0043374300000000, 0.0021884100000000 ] - [ -0.0008577900000000, -0.0017241700000000, 0.0006698600000000 ] - [ -0.0007872600000000, -0.0002029300000000, 0.0005207300000000 ] - [ -0.0005058200000000, 0.0023659900000000, -0.0008190500000000 ] - [ -0.0021726100000000, 0.0031225200000000, -0.0003975200000000 ] - [ -0.0039304900000000, 0.0034259300000000, -0.0009175600000000 ] - [ 0.0014175100000000, 0.0019057200000000, 0.0010680300000000 ] - [ 0.0019303800000000, -0.0050273100000000, 0.0000775300000000 ] - [ 0.0007014800000000, -0.0025949100000000, -0.0008077800000000 ] - [ 0.0021726100000000, 0.0031225200000000, -0.0003975200000000 ] - [ 0.0005058200000000, 0.0023659900000000, -0.0008190500000000 ] - [ 0.0007872600000000, -0.0002029300000000, 0.0005207300000000 ] - [ 0.0008577900000000, -0.0017241700000000, 0.0006698600000000 ] - [ -0.0007014800000000, -0.0025949100000000, -0.0008077800000000 ] - [ -0.0019303800000000, -0.0050273100000000, 0.0000775300000000 ] - [ -0.0014175100000000, 0.0019057200000000, 0.0010680300000000 ] - [ 0.0039304900000000, 0.0034259300000000, -0.0009175600000000 ] - [ 0.0000000000000000, -0.0003599900000000, 0.0083659700000000 ] - [ 0.0000000000000000, -0.0000603700000000, 0.0068657300000000 ] - [ 0.0000000000000000, 0.0046466500000000, -0.0074352600000000 ] - [ 0.0000000000000000, 0.0001356200000000, -0.0068238500000000 ] - [ 0.0000872600000000, -0.0007760800000000, -0.0016455100000000 ] - [ -0.0000872600000000, -0.0007760800000000, -0.0016455100000000 ] - [ 0.0004815200000000, 0.0018842900000000, 0.0018323800000000 ] - [ -0.0004815200000000, 0.0018842900000000, 0.0018323800000000 ] - [ 0.0000000000000000, 0.0172402100000000, -0.0046892900000000 ] - [ 0.0000000000000000, 0.0017810800000000, -0.0018350100000000 ] - [ 0.0000000000000000, -0.0000693400000000, 0.0015747600000000 ] - [ 0.0000000000000000, -0.0014047300000000, 0.0018354500000000 ] - [ 0.0010361800000000, 0.0066099600000000, 0.0008594400000000 ] - [ 0.0005030200000000, 0.0000597900000000, 0.0000473700000000 ] - [ 0.0003550900000000, -0.0020696700000000, -0.0011248500000000 ] - [ -0.0002129100000000, -0.0003159500000000, -0.0000170500000000 ] - [ 0.0000000000000000, 0.0181721600000000, -0.0215683200000000 ] - [ 0.0000000000000000, 0.0003880000000000, -0.0000044000000000 ] - [ 0.0017239200000000, 0.0022177600000000, -0.0001426800000000 ] - [ -0.0017239200000000, 0.0022177600000000, -0.0001426800000000 ] - [ 0.0002129100000000, -0.0003159500000000, -0.0000170500000000 ] - [ -0.0003550900000000, -0.0020696700000000, -0.0011248500000000 ] - [ -0.0005030200000000, 0.0000597900000000, 0.0000473700000000 ] - [ -0.0010361800000000, 0.0066099600000000, 0.0008594400000000 ] - [ -0.0006273500000000, -0.0010610900000000, 0.0000882900000000 ] - [ 0.0006273500000000, -0.0010610900000000, 0.0000882900000000 ] - [ 0.0000000000000000, -0.0030792600000000, -0.0025622300000000 ] - [ 0.0000000000000000, -0.0003124300000000, 0.0000079400000000 ] - [ 0.0013297100000000, -0.0002789600000000, 0.0002641700000000 ] - [ -0.0032715100000000, -0.0095768400000000, 0.0034283100000000 ] - [ -0.0004894400000000, 0.0002187600000000, -0.0001251500000000 ] - [ 0.0018773800000000, 0.0016606000000000, -0.0000683300000000 ] - [ 0.0000000000000000, 0.0399425400000000, 0.0227839700000000 ] - [ 0.0000000000000000, 0.0007583600000000, 0.0000392400000000 ] - [ 0.0017288700000000, 0.0045480300000000, -0.0000150900000000 ] - [ -0.0017288700000000, 0.0045480300000000, -0.0000150900000000 ] - [ -0.0018773800000000, 0.0016606000000000, -0.0000683300000000 ] - [ 0.0004894400000000, 0.0002187600000000, -0.0001251500000000 ] - [ 0.0032715100000000, -0.0095768400000000, 0.0034283100000000 ] - [ -0.0013297100000000, -0.0002789600000000, 0.0002641700000000 ] - [ -0.0011521800000000, -0.0023348400000000, -0.0001737100000000 ] - [ 0.0011521800000000, -0.0023348400000000, -0.0001737100000000 ] - [ 0.0000000000000000, -0.0072026500000000, 0.0066420000000000 ] - [ 0.0000000000000000, -0.0007222200000000, -0.0000294900000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028375300000000, 0.0040755700000000, 0.0043692000000000 ] - [ -0.0007454100000000, -0.0019602100000000, 0.0008986900000000 ] - [ 0.0067595500000000, -0.0065032800000000, -0.0058483100000000 ] - [ -0.0011236800000000, 0.0025762300000000, -0.0010216900000000 ] - [ 0.0006947700000000, 0.0021137300000000, 0.0009039300000000 ] - [ 0.0019204400000000, 0.0017280300000000, 0.0025937300000000 ] - [ 0.0011330400000000, -0.0027384700000000, -0.0011195100000000 ] - [ 0.0024387000000000, -0.0065927000000000, -0.0010600300000000 ] - [ 0.0011236800000000, 0.0025762300000000, -0.0010216900000000 ] - [ -0.0067595500000000, -0.0065032800000000, -0.0058483100000000 ] - [ 0.0007454100000000, -0.0019602100000000, 0.0008986900000000 ] - [ 0.0028375300000000, 0.0040755700000000, 0.0043692000000000 ] - [ -0.0024387000000000, -0.0065927000000000, -0.0010600300000000 ] - [ -0.0011330400000000, -0.0027384700000000, -0.0011195100000000 ] - [ -0.0019204400000000, 0.0017280300000000, 0.0025937300000000 ] - [ -0.0006947700000000, 0.0021137300000000, 0.0009039300000000 ] - [ 0.0021130300000000, -0.0011843000000000, 0.0072741800000000 ] - [ -0.0021130300000000, -0.0011843000000000, 0.0072741800000000 ] - [ -0.0005657700000000, 0.0003379600000000, -0.0069257200000000 ] - [ 0.0005657700000000, 0.0003379600000000, -0.0069257200000000 ] - [ 0.0000000000000000, 0.0798229200000000, 0.0121168200000000 ] - [ 0.0000000000000000, -0.0012942500000000, -0.0017225600000000 ] - [ 0.0000000000000000, 0.0024428100000000, -0.0018900900000000 ] - [ 0.0000000000000000, 0.0017314500000000, 0.0017729100000000 ] - [ 0.0007083000000000, 0.0024087800000000, -0.0019967600000000 ] - [ -0.0007083000000000, 0.0024087800000000, -0.0019967600000000 ] - [ -0.0017135300000000, 0.0012001900000000, 0.0013286800000000 ] - [ 0.0017135300000000, 0.0012001900000000, 0.0013286800000000 ] - [ -0.0008666000000000, -0.0028278700000000, 0.0012157800000000 ] - [ -0.0009496100000000, -0.0043474500000000, 0.0013687900000000 ] - [ -0.0012194700000000, 0.0021806500000000, -0.0010639500000000 ] - [ 0.0004384300000000, 0.0014225400000000, -0.0014800500000000 ] - [ 0.0056680000000000, 0.0011395600000000, 0.0028223100000000 ] - [ 0.0003087600000000, 0.0026490900000000, 0.0008195500000000 ] - [ -0.0002329300000000, 0.0004565100000000, -0.0019638600000000 ] - [ 0.0010294700000000, -0.0019557800000000, -0.0010803000000000 ] - [ -0.0004384300000000, 0.0014225400000000, -0.0014800500000000 ] - [ 0.0012194700000000, 0.0021806500000000, -0.0010639500000000 ] - [ 0.0009496100000000, -0.0043474500000000, 0.0013687900000000 ] - [ 0.0008666000000000, -0.0028278700000000, 0.0012157800000000 ] - [ -0.0010294700000000, -0.0019557800000000, -0.0010803000000000 ] - [ 0.0002329300000000, 0.0004565100000000, -0.0019638600000000 ] - [ -0.0003087600000000, 0.0026490900000000, 0.0008195500000000 ] - [ -0.0056680000000000, 0.0011395600000000, 0.0028223100000000 ] - [ 0.0000000000000000, 0.0003420200000000, 0.0052925300000000 ] - [ 0.0000000000000000, 0.0000584400000000, 0.0067720700000000 ] - [ 0.0000000000000000, -0.0046734200000000, -0.0061912200000000 ] - [ 0.0000000000000000, -0.0001347500000000, -0.0068133900000000 ] - [ -0.0000829100000000, -0.0023652600000000, -0.0018721700000000 ] - [ 0.0000829100000000, -0.0023652600000000, -0.0018721700000000 ] - [ -0.0004848700000000, 0.0012415300000000, 0.0016831500000000 ] - [ 0.0004848700000000, 0.0012415300000000, 0.0016831500000000 ] - [ 0.0000000000000000, -0.0139060100000000, 0.0011568400000000 ] - [ 0.0000000000000000, 0.0013575600000000, -0.0016817500000000 ] - [ 0.0000000000000000, -0.0030725800000000, 0.0019398700000000 ] - [ 0.0000000000000000, -0.0017365900000000, 0.0016809900000000 ] - [ -0.0006154900000000, -0.0062837500000000, -0.0008142500000000 ] - [ -0.0005050500000000, -0.0000547800000000, -0.0000473400000000 ] - [ -0.0003579000000000, 0.0020672200000000, 0.0011371300000000 ] - [ 0.0002146900000000, 0.0003133200000000, 0.0000173600000000 ] - [ 0.0000000000000000, -0.0182000800000000, 0.0221113600000000 ] - [ 0.0000000000000000, -0.0003907200000000, 0.0000045100000000 ] - [ -0.0017226900000000, -0.0022372400000000, 0.0001446500000000 ] - [ 0.0017226900000000, -0.0022372400000000, 0.0001446500000000 ] - [ -0.0002146900000000, 0.0003133200000000, 0.0000173600000000 ] - [ 0.0003579000000000, 0.0020672200000000, 0.0011371300000000 ] - [ 0.0005050500000000, -0.0000547800000000, -0.0000473400000000 ] - [ 0.0006154900000000, -0.0062837500000000, -0.0008142500000000 ] - [ 0.0006197500000000, 0.0010661400000000, -0.0000878600000000 ] - [ -0.0006197500000000, 0.0010661400000000, -0.0000878600000000 ] - [ 0.0000000000000000, 0.0030798600000000, 0.0025412500000000 ] - [ 0.0000000000000000, 0.0003140100000000, -0.0000080000000000 ] - [ -0.0013358800000000, 0.0002746200000000, -0.0002653600000000 ] - [ 0.0033083700000000, 0.0095909900000000, -0.0034567400000000 ] - [ 0.0004983400000000, -0.0002144100000000, 0.0001226800000000 ] - [ -0.0018711400000000, -0.0015790500000000, 0.0000496000000000 ] - [ 0.0000000000000000, -0.0404319800000000, -0.0241545900000000 ] - [ 0.0000000000000000, -0.0007647100000000, -0.0000392600000000 ] - [ -0.0017128800000000, -0.0045760300000000, 0.0000181500000000 ] - [ 0.0017128800000000, -0.0045760300000000, 0.0000181500000000 ] - [ 0.0018711400000000, -0.0015790500000000, 0.0000496000000000 ] - [ -0.0004983400000000, -0.0002144100000000, 0.0001226800000000 ] - [ -0.0033083700000000, 0.0095909900000000, -0.0034567400000000 ] - [ 0.0013358800000000, 0.0002746200000000, -0.0002653600000000 ] - [ 0.0011414800000000, 0.0023417100000000, 0.0001750400000000 ] - [ -0.0011414800000000, 0.0023417100000000, 0.0001750400000000 ] - [ 0.0000000000000000, 0.0072009700000000, -0.0065958600000000 ] - [ 0.0000000000000000, 0.0007275000000000, 0.0000302100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0147070700000000, -0.0087891400000000, 0.0220947100000000 ] - [ -0.0006570900000000, -0.0021517800000000, 0.0008602400000000 ] - [ -0.0049619200000000, 0.0089546800000000, -0.0025500300000000 ] - [ -0.0007519900000000, 0.0022018300000000, -0.0009448500000000 ] - [ 0.0005917000000000, 0.0020752800000000, 0.0008159600000000 ] - [ 0.0003958400000000, 0.0006555100000000, 0.0008794000000000 ] - [ 0.0007645000000000, -0.0022135100000000, -0.0009243300000000 ] - [ 0.0001904800000000, -0.0007999600000000, -0.0013595900000000 ] - [ 0.0007519900000000, 0.0022018300000000, -0.0009448500000000 ] - [ 0.0049619200000000, 0.0089546800000000, -0.0025500300000000 ] - [ 0.0006570900000000, -0.0021517800000000, 0.0008602400000000 ] - [ 0.0147070700000000, -0.0087891400000000, 0.0220947100000000 ] - [ -0.0001904800000000, -0.0007999600000000, -0.0013595900000000 ] - [ -0.0007645000000000, -0.0022135100000000, -0.0009243300000000 ] - [ -0.0003958400000000, 0.0006555100000000, 0.0008794000000000 ] - [ -0.0005917000000000, 0.0020752800000000, 0.0008159600000000 ] - [ -0.0010876900000000, 0.0003581200000000, 0.0057819800000000 ] - [ 0.0010876900000000, 0.0003581200000000, 0.0057819800000000 ] - [ -0.0023346100000000, -0.0009712400000000, -0.0052266800000000 ] - [ 0.0023346100000000, -0.0009712400000000, -0.0052266800000000 ] - [ 0.0000000000000000, -0.0128812900000000, -0.1765164000000000 ] - [ 0.0000000000000000, -0.0016054400000000, -0.0020209000000000 ] - [ 0.0000000000000000, 0.0052322500000000, 0.0050290700000000 ] - [ 0.0000000000000000, 0.0015553400000000, 0.0019286100000000 ] - [ -0.0000925500000000, 0.0013286700000000, 0.0000681400000000 ] - [ 0.0000925500000000, 0.0013286700000000, 0.0000681400000000 ] - [ 0.0009595100000000, -0.0019915300000000, 0.0001414300000000 ] - [ -0.0009595100000000, -0.0019915300000000, 0.0001414300000000 ] - [ -0.0008063400000000, -0.0022195800000000, 0.0008289200000000 ] - [ -0.0010381700000000, -0.0025617100000000, 0.0008853200000000 ] - [ -0.0008007600000000, 0.0021849800000000, -0.0006263800000000 ] - [ -0.0014566500000000, 0.0031411600000000, -0.0002977300000000 ] - [ 0.0054358900000000, -0.0009932700000000, 0.0000910400000000 ] - [ 0.0004405300000000, 0.0020978100000000, 0.0009643000000000 ] - [ 0.0076635400000000, -0.0002399200000000, 0.0067156400000000 ] - [ 0.0002025500000000, -0.0020788600000000, -0.0007069000000000 ] - [ 0.0014566500000000, 0.0031411600000000, -0.0002977300000000 ] - [ 0.0008007600000000, 0.0021849800000000, -0.0006263800000000 ] - [ 0.0010381700000000, -0.0025617100000000, 0.0008853200000000 ] - [ 0.0008063400000000, -0.0022195800000000, 0.0008289200000000 ] - [ -0.0002025500000000, -0.0020788600000000, -0.0007069000000000 ] - [ -0.0076635400000000, -0.0002399200000000, 0.0067156400000000 ] - [ -0.0004405300000000, 0.0020978100000000, 0.0009643000000000 ] - [ -0.0054358900000000, -0.0009932700000000, 0.0000910400000000 ] - [ 0.0000000000000000, 0.0014085100000000, 0.0124195300000000 ] - [ 0.0000000000000000, 0.0001222400000000, 0.0069761300000000 ] - [ 0.0000000000000000, -0.0016606900000000, -0.0087223500000000 ] - [ 0.0000000000000000, -0.0000822600000000, -0.0069200700000000 ] - [ 0.0000701400000000, -0.0014568300000000, -0.0014150300000000 ] - [ -0.0000701400000000, -0.0014568300000000, -0.0014150300000000 ] - [ 0.0001684300000000, 0.0016458000000000, 0.0014296600000000 ] - [ -0.0001684300000000, 0.0016458000000000, 0.0014296600000000 ] - [ 0.0000000000000000, 0.0044393900000000, -0.0053314200000000 ] - [ 0.0000000000000000, 0.0016464800000000, -0.0019263800000000 ] - [ 0.0000000000000000, -0.0013883000000000, 0.0023299200000000 ] - [ 0.0000000000000000, -0.0016468300000000, 0.0018784300000000 ] - [ -0.0024732700000000, -0.0009006600000000, 0.0064675800000000 ] - [ 0.0002453300000000, -0.0001710900000000, 0.0001473000000000 ] - [ 0.0004628000000000, -0.0005103700000000, -0.0017487100000000 ] - [ 0.0000294700000000, 0.0000311000000000, -0.0000777100000000 ] - [ 0.0000000000000000, -0.0225173300000000, 0.0449922600000000 ] - [ 0.0000000000000000, 0.0000606400000000, -0.0000185200000000 ] - [ 0.0031289300000000, -0.0005336000000000, 0.0006471600000000 ] - [ -0.0031289300000000, -0.0005336000000000, 0.0006471600000000 ] - [ -0.0000294700000000, 0.0000311000000000, -0.0000777100000000 ] - [ -0.0004628000000000, -0.0005103700000000, -0.0017487100000000 ] - [ -0.0002453300000000, -0.0001710900000000, 0.0001473000000000 ] - [ 0.0024732700000000, -0.0009006600000000, 0.0064675800000000 ] - [ 0.0002032600000000, 0.0000598500000000, 0.0001749800000000 ] - [ -0.0002032600000000, 0.0000598500000000, 0.0001749800000000 ] - [ 0.0000000000000000, -0.0007508100000000, -0.0006477100000000 ] - [ 0.0000000000000000, -0.0000098700000000, -0.0000090800000000 ] - [ 0.0003779100000000, 0.0002926700000000, 0.0005513200000000 ] - [ -0.0003002800000000, -0.0016767400000000, 0.0070951300000000 ] - [ 0.0008769600000000, -0.0004739000000000, -0.0009529900000000 ] - [ -0.0003382900000000, 0.0057568900000000, -0.0116442500000000 ] - [ 0.0000000000000000, 0.0267135900000000, 0.0687768200000000 ] - [ 0.0000000000000000, -0.0000299700000000, 0.0001192200000000 ] - [ -0.0037120200000000, 0.0010243600000000, -0.0002529300000000 ] - [ 0.0037120200000000, 0.0010243600000000, -0.0002529300000000 ] - [ 0.0003382900000000, 0.0057568900000000, -0.0116442500000000 ] - [ -0.0008769600000000, -0.0004739000000000, -0.0009529900000000 ] - [ 0.0003002800000000, -0.0016767400000000, 0.0070951300000000 ] - [ -0.0003779100000000, 0.0002926700000000, 0.0005513200000000 ] - [ -0.0011360500000000, -0.0004264000000000, -0.0001225600000000 ] - [ 0.0011360500000000, -0.0004264000000000, -0.0001225600000000 ] - [ 0.0000000000000000, -0.0000020600000000, 0.0020229300000000 ] - [ 0.0000000000000000, 0.0000991400000000, 0.0000608300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0133169800000000, 0.0043444000000000, -0.0205035800000000 ] - [ -0.0010719900000000, -0.0024021400000000, 0.0010289100000000 ] - [ 0.0032872100000000, -0.0044636000000000, 0.0007024500000000 ] - [ -0.0009744000000000, 0.0023497600000000, -0.0009382100000000 ] - [ 0.0011383800000000, 0.0024794600000000, 0.0010742800000000 ] - [ 0.0013378000000000, 0.0039138300000000, 0.0010361000000000 ] - [ 0.0009621000000000, -0.0023369800000000, -0.0009607300000000 ] - [ 0.0015462300000000, -0.0037621500000000, -0.0005214900000000 ] - [ 0.0009744000000000, 0.0023497600000000, -0.0009382100000000 ] - [ -0.0032872100000000, -0.0044636000000000, 0.0007024500000000 ] - [ 0.0010719900000000, -0.0024021400000000, 0.0010289100000000 ] - [ -0.0133169800000000, 0.0043444000000000, -0.0205035800000000 ] - [ -0.0015462300000000, -0.0037621500000000, -0.0005214900000000 ] - [ -0.0009621000000000, -0.0023369800000000, -0.0009607300000000 ] - [ -0.0013378000000000, 0.0039138300000000, 0.0010361000000000 ] - [ -0.0011383800000000, 0.0024794600000000, 0.0010742800000000 ] - [ 0.0010900500000000, -0.0003611100000000, 0.0078565700000000 ] - [ -0.0010900500000000, -0.0003611100000000, 0.0078565700000000 ] - [ 0.0023700400000000, 0.0009902000000000, -0.0084105200000000 ] - [ -0.0023700400000000, 0.0009902000000000, -0.0084105200000000 ] - [ 0.0000000000000000, 0.0141844500000000, 0.1754932900000000 ] - [ 0.0000000000000000, -0.0015339600000000, -0.0014943400000000 ] - [ 0.0000000000000000, -0.0020830900000000, -0.0015746000000000 ] - [ 0.0000000000000000, 0.0015844800000000, 0.0015893400000000 ] - [ 0.0000960800000000, 0.0018026300000000, -0.0035852900000000 ] - [ -0.0000960800000000, 0.0018026300000000, -0.0035852900000000 ] - [ -0.0009915000000000, -0.0011316400000000, 0.0033648400000000 ] - [ 0.0009915000000000, -0.0011316400000000, 0.0033648400000000 ] - [ -0.0009226800000000, -0.0023315500000000, 0.0010567000000000 ] - [ -0.0006829400000000, -0.0019913700000000, 0.0009987200000000 ] - [ -0.0009263500000000, 0.0023692600000000, -0.0012628600000000 ] - [ -0.0002695600000000, 0.0014196700000000, -0.0015946200000000 ] - [ -0.0036927500000000, 0.0055339700000000, 0.0017830200000000 ] - [ 0.0012878300000000, 0.0024559100000000, 0.0009202000000000 ] - [ -0.0058564400000000, -0.0043044900000000, -0.0086034500000000 ] - [ 0.0015191100000000, -0.0024741800000000, -0.0011855400000000 ] - [ 0.0002695600000000, 0.0014196700000000, -0.0015946200000000 ] - [ 0.0009263500000000, 0.0023692600000000, -0.0012628600000000 ] - [ 0.0006829400000000, -0.0019913700000000, 0.0009987200000000 ] - [ 0.0009226800000000, -0.0023315500000000, 0.0010567000000000 ] - [ -0.0015191100000000, -0.0024741800000000, -0.0011855400000000 ] - [ 0.0058564400000000, -0.0043044900000000, -0.0086034500000000 ] - [ -0.0012878300000000, 0.0024559100000000, 0.0009202000000000 ] - [ 0.0036927500000000, 0.0055339700000000, 0.0017830200000000 ] - [ 0.0000000000000000, -0.0013597800000000, 0.0012402800000000 ] - [ 0.0000000000000000, -0.0001221100000000, 0.0066622500000000 ] - [ 0.0000000000000000, 0.0016552700000000, -0.0049163900000000 ] - [ 0.0000000000000000, 0.0000823300000000, -0.0067159400000000 ] - [ -0.0000717400000000, -0.0016835100000000, -0.0021021500000000 ] - [ 0.0000717400000000, -0.0016835100000000, -0.0021021500000000 ] - [ -0.0001687400000000, 0.0014965100000000, 0.0020865600000000 ] - [ 0.0001687400000000, 0.0014965100000000, 0.0020865600000000 ] - [ 0.0000000000000000, -0.0014063600000000, 0.0018275600000000 ] - [ 0.0000000000000000, 0.0014933800000000, -0.0015872300000000 ] - [ 0.0000000000000000, -0.0017531800000000, 0.0011889400000000 ] - [ 0.0000000000000000, -0.0014921200000000, 0.0016376400000000 ] - [ 0.0024813800000000, 0.0008900400000000, -0.0064382800000000 ] - [ -0.0002507700000000, 0.0001749600000000, -0.0001472200000000 ] - [ -0.0004649200000000, 0.0005170900000000, 0.0017497600000000 ] - [ -0.0000288400000000, -0.0000300300000000, 0.0000791600000000 ] - [ 0.0000000000000000, 0.0210577300000000, -0.0425091200000000 ] - [ 0.0000000000000000, -0.0000593900000000, 0.0000210700000000 ] - [ -0.0031404500000000, 0.0005414800000000, -0.0006643000000000 ] - [ 0.0031404500000000, 0.0005414800000000, -0.0006643000000000 ] - [ 0.0000288400000000, -0.0000300300000000, 0.0000791600000000 ] - [ 0.0004649200000000, 0.0005170900000000, 0.0017497600000000 ] - [ 0.0002507700000000, 0.0001749600000000, -0.0001472200000000 ] - [ -0.0024813800000000, 0.0008900400000000, -0.0064382800000000 ] - [ -0.0001990100000000, -0.0000621500000000, -0.0001777800000000 ] - [ 0.0001990100000000, -0.0000621500000000, -0.0001777800000000 ] - [ 0.0000000000000000, 0.0007490500000000, 0.0006736300000000 ] - [ 0.0000000000000000, 0.0000088400000000, 0.0000104500000000 ] - [ -0.0003762100000000, -0.0002941100000000, -0.0005528100000000 ] - [ 0.0002884700000000, 0.0016803500000000, -0.0071007600000000 ] - [ -0.0008889900000000, 0.0004748300000000, 0.0009586100000000 ] - [ 0.0003526500000000, -0.0058228600000000, 0.0116686900000000 ] - [ 0.0000000000000000, -0.0297310200000000, -0.0733429100000000 ] - [ 0.0000000000000000, 0.0000319300000000, -0.0001219400000000 ] - [ 0.0037049000000000, -0.0010147500000000, 0.0002867400000000 ] - [ -0.0037049000000000, -0.0010147500000000, 0.0002867400000000 ] - [ -0.0003526500000000, -0.0058228600000000, 0.0116686900000000 ] - [ 0.0008889900000000, 0.0004748300000000, 0.0009586100000000 ] - [ -0.0002884700000000, 0.0016803500000000, -0.0071007600000000 ] - [ 0.0003762100000000, -0.0002941100000000, -0.0005528100000000 ] - [ 0.0011420100000000, 0.0004235200000000, 0.0001300500000000 ] - [ -0.0011420100000000, 0.0004235200000000, 0.0001300500000000 ] - [ 0.0000000000000000, 0.0000134100000000, -0.0020838200000000 ] - [ 0.0000000000000000, -0.0001023600000000, -0.0000617100000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0057658300000000, -0.0014881300000000, -0.0017378900000000 ] - [ -0.0028627600000000, -0.0027117400000000, 0.0012563000000000 ] - [ 0.0035723500000000, 0.0003281100000000, -0.0009148400000000 ] - [ -0.0026493800000000, 0.0027190000000000, -0.0011007600000000 ] - [ -0.0008836600000000, 0.0017455400000000, 0.0013840700000000 ] - [ -0.0007637600000000, 0.0022571600000000, -0.0016053900000000 ] - [ -0.0004354700000000, -0.0029349200000000, -0.0005826500000000 ] - [ -0.0008957100000000, 0.0002083100000000, -0.0016763300000000 ] - [ -0.0004354700000000, 0.0029349200000000, -0.0005826500000000 ] - [ -0.0008957100000000, -0.0002083100000000, -0.0016763300000000 ] - [ -0.0008836600000000, -0.0017455400000000, 0.0013840700000000 ] - [ -0.0007637600000000, -0.0022571600000000, -0.0016053900000000 ] - [ 0.0035723500000000, -0.0003281100000000, -0.0009148400000000 ] - [ -0.0026493800000000, -0.0027190000000000, -0.0011007600000000 ] - [ 0.0057658300000000, 0.0014881300000000, -0.0017378900000000 ] - [ -0.0028627600000000, 0.0027117400000000, 0.0012563000000000 ] - [ 0.0025709000000000, 0.0000000000000000, 0.0073383300000000 ] - [ -0.0026214800000000, 0.0000000000000000, 0.0069124100000000 ] - [ 0.0027853300000000, 0.0000000000000000, -0.0053168000000000 ] - [ -0.0032303200000000, 0.0000000000000000, -0.0068136600000000 ] - [ 0.0086911500000000, -0.0010145900000000, -0.0042530400000000 ] - [ -0.0021046800000000, -0.0010639800000000, -0.0015095500000000 ] - [ 0.0011899500000000, 0.0012101800000000, 0.0012942200000000 ] - [ -0.0011676100000000, 0.0017850100000000, 0.0017292600000000 ] - [ 0.0011965000000000, 0.0019253000000000, -0.0022217900000000 ] - [ -0.0011683400000000, 0.0013573200000000, -0.0017876200000000 ] - [ 0.0092318300000000, -0.0026687200000000, -0.0007009500000000 ] - [ -0.0021026500000000, -0.0020723900000000, 0.0020060000000000 ] - [ -0.0026164900000000, -0.0047570800000000, 0.0002112800000000 ] - [ -0.0021650400000000, -0.0016187600000000, 0.0013039400000000 ] - [ -0.0024876500000000, 0.0022840200000000, -0.0034985400000000 ] - [ -0.0026092100000000, 0.0028036300000000, -0.0005060300000000 ] - [ 0.0052973600000000, 0.0042229500000000, 0.0009647600000000 ] - [ -0.0009225500000000, 0.0018337700000000, 0.0007855200000000 ] - [ 0.0075156700000000, -0.0030856800000000, -0.0036251500000000 ] - [ -0.0011359200000000, -0.0018387500000000, -0.0006303400000000 ] - [ 0.0075156700000000, 0.0030856800000000, -0.0036251500000000 ] - [ -0.0011359200000000, 0.0018387500000000, -0.0006303400000000 ] - [ 0.0052973600000000, -0.0042229500000000, 0.0009647600000000 ] - [ -0.0009225500000000, -0.0018337700000000, 0.0007855200000000 ] - [ -0.0024876500000000, -0.0022840200000000, -0.0034985400000000 ] - [ -0.0026092100000000, -0.0028036300000000, -0.0005060300000000 ] - [ -0.0026164900000000, 0.0047570800000000, 0.0002112800000000 ] - [ -0.0021650400000000, 0.0016187600000000, 0.0013039400000000 ] - [ 0.0027584900000000, 0.0000000000000000, 0.0083014800000000 ] - [ -0.0032304900000000, 0.0000000000000000, 0.0068236400000000 ] - [ 0.0025676000000000, 0.0000000000000000, -0.0062979200000000 ] - [ -0.0026186600000000, 0.0000000000000000, -0.0067249800000000 ] - [ 0.0011965000000000, -0.0019253000000000, -0.0022217900000000 ] - [ -0.0011683400000000, -0.0013573200000000, -0.0017876200000000 ] - [ 0.0092318300000000, 0.0026687200000000, -0.0007009500000000 ] - [ -0.0021026500000000, 0.0020723900000000, 0.0020060000000000 ] - [ 0.0086911500000000, 0.0010145900000000, -0.0042530400000000 ] - [ -0.0021046800000000, 0.0010639800000000, -0.0015095500000000 ] - [ 0.0011899500000000, -0.0012101800000000, 0.0012942200000000 ] - [ -0.0011676100000000, -0.0017850100000000, 0.0017292600000000 ] - [ -0.0622818700000000, 0.0000000000000000, -0.0025685100000000 ] - [ 0.0027779500000000, 0.0000000000000000, 0.0002623600000000 ] - [ -0.0024789100000000, 0.0000000000000000, 0.0011459300000000 ] - [ 0.0019674700000000, 0.0000000000000000, -0.0002510100000000 ] - [ -0.0017070800000000, 0.0041748900000000, -0.0055724600000000 ] - [ 0.0024735300000000, -0.0003505700000000, 0.0002594500000000 ] - [ -0.0017203500000000, -0.0041931500000000, -0.0055931800000000 ] - [ 0.0024738300000000, 0.0003471700000000, 0.0002587500000000 ] - [ 0.0002474400000000, 0.0000000000000000, 0.0005088600000000 ] - [ 0.0002528900000000, 0.0000000000000000, 0.0005102500000000 ] - [ 0.0117288000000000, 0.0000000000000000, -0.0005539200000000 ] - [ 0.0115852700000000, 0.0000000000000000, -0.0005517200000000 ] - [ -0.0017203500000000, 0.0041931500000000, -0.0055931800000000 ] - [ 0.0024738300000000, -0.0003471700000000, 0.0002587500000000 ] - [ -0.0017070800000000, -0.0041748900000000, -0.0055724600000000 ] - [ 0.0024735300000000, 0.0003505700000000, 0.0002594500000000 ] - [ 0.0012292000000000, 0.0000000000000000, -0.0016643900000000 ] - [ 0.0012339000000000, 0.0000000000000000, -0.0016675500000000 ] - [ 0.0025188000000000, 0.0000000000000000, 0.0014920600000000 ] - [ 0.0025219300000000, 0.0000000000000000, 0.0014891600000000 ] - [ -0.0029479300000000, 0.0088787900000000, 0.0125614400000000 ] - [ 0.0040822200000000, -0.0008656700000000, -0.0005245600000000 ] - [ -0.0029741100000000, -0.0089087800000000, 0.0126065700000000 ] - [ 0.0040815900000000, 0.0008576200000000, -0.0005229600000000 ] - [ -0.0113381900000000, 0.0000000000000000, 0.0046283400000000 ] - [ 0.0049274500000000, 0.0000000000000000, -0.0001784800000000 ] - [ -0.0065433700000000, 0.0000000000000000, -0.0032712900000000 ] - [ 0.0041669300000000, 0.0000000000000000, 0.0003323700000000 ] - [ -0.0029741100000000, 0.0089087800000000, 0.0126065700000000 ] - [ 0.0040815900000000, -0.0008576200000000, -0.0005229600000000 ] - [ -0.0029479300000000, -0.0088787900000000, 0.0125614400000000 ] - [ 0.0040822200000000, 0.0008656700000000, -0.0005245600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014944600000000, 0.0013061400000000, -0.0032730200000000 ] - [ -0.0005948600000000, -0.0018368800000000, 0.0006738500000000 ] - [ -0.0003045100000000, -0.0025472400000000, -0.0011533600000000 ] - [ -0.0006116200000000, 0.0018074800000000, -0.0008156500000000 ] - [ -0.0000723700000000, 0.0031572300000000, 0.0014563300000000 ] - [ 0.0035806300000000, 0.0045958900000000, 0.0036893900000000 ] - [ -0.0000672400000000, -0.0035096600000000, -0.0008612000000000 ] - [ 0.0030503100000000, -0.0054397400000000, -0.0008338500000000 ] - [ 0.0017908700000000, 0.0010392600000000, -0.0010246000000000 ] - [ -0.0013224500000000, -0.0008956100000000, -0.0010549400000000 ] - [ 0.0017974800000000, -0.0013963100000000, 0.0004309300000000 ] - [ -0.0018521500000000, 0.0000437300000000, -0.0018010300000000 ] - [ -0.0014125900000000, -0.0071078500000000, -0.0007196100000000 ] - [ -0.0011157800000000, -0.0027434200000000, -0.0010706400000000 ] - [ -0.0002575000000000, 0.0059301100000000, 0.0050992200000000 ] - [ -0.0011323900000000, 0.0027146900000000, 0.0012123200000000 ] - [ -0.0000063800000000, -0.0029157400000000, 0.0068189000000000 ] - [ 0.0000002900000000, -0.0009190000000000, 0.0068190200000000 ] - [ -0.0000002600000000, 0.0043232700000000, -0.0068213700000000 ] - [ -0.0000004600000000, 0.0011616000000000, -0.0068189800000000 ] - [ 0.0010729700000000, 0.0047149000000000, -0.0026781600000000 ] - [ 0.0010360300000000, -0.0015119300000000, -0.0019316300000000 ] - [ -0.0009612600000000, -0.0005005300000000, 0.0012444600000000 ] - [ 0.0003659800000000, 0.0012547800000000, 0.0017891000000000 ] - [ 0.0009612600000000, -0.0005005300000000, -0.0012444600000000 ] - [ -0.0003659800000000, 0.0012547800000000, -0.0017891000000000 ] - [ -0.0010729700000000, 0.0047149000000000, 0.0026781600000000 ] - [ -0.0010360300000000, -0.0015119300000000, 0.0019316300000000 ] - [ -0.0030503100000000, -0.0054397400000000, 0.0008338500000000 ] - [ 0.0000672400000000, -0.0035096600000000, 0.0008612000000000 ] - [ -0.0035806300000000, 0.0045958900000000, -0.0036893900000000 ] - [ 0.0000723700000000, 0.0031572300000000, -0.0014563300000000 ] - [ 0.0003045100000000, -0.0025472400000000, 0.0011533600000000 ] - [ 0.0006116200000000, 0.0018074800000000, 0.0008156500000000 ] - [ 0.0014944600000000, 0.0013061400000000, 0.0032730200000000 ] - [ 0.0005948600000000, -0.0018368800000000, -0.0006738500000000 ] - [ 0.0002575000000000, 0.0059301100000000, -0.0050992200000000 ] - [ 0.0011323900000000, 0.0027146900000000, -0.0012123200000000 ] - [ 0.0014125900000000, -0.0071078500000000, 0.0007196100000000 ] - [ 0.0011157800000000, -0.0027434200000000, 0.0010706400000000 ] - [ 0.0018521500000000, 0.0000437300000000, 0.0018010300000000 ] - [ -0.0017974800000000, -0.0013963100000000, -0.0004309300000000 ] - [ 0.0013224500000000, -0.0008956100000000, 0.0010549400000000 ] - [ -0.0017908700000000, 0.0010392600000000, 0.0010246000000000 ] - [ 0.0000002600000000, 0.0043232700000000, 0.0068213700000000 ] - [ 0.0000004600000000, 0.0011616000000000, 0.0068189800000000 ] - [ 0.0000063800000000, -0.0029157400000000, -0.0068189000000000 ] - [ -0.0000002900000000, -0.0009190000000000, -0.0068190200000000 ] - [ -0.0009649200000000, -0.0036354400000000, -0.0022718100000000 ] - [ 0.0003667900000000, -0.0018850800000000, -0.0017279000000000 ] - [ 0.0015077100000000, 0.0081795600000000, 0.0008878900000000 ] - [ 0.0010357200000000, 0.0016296800000000, 0.0015856800000000 ] - [ -0.0015077100000000, 0.0081795600000000, -0.0008878900000000 ] - [ -0.0010357200000000, 0.0016296800000000, -0.0015856800000000 ] - [ 0.0009649200000000, -0.0036354400000000, 0.0022718100000000 ] - [ -0.0003667900000000, -0.0018850800000000, 0.0017279000000000 ] - [ 0.0000000000000000, -0.0489262100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012294300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0040045800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008399000000000, 0.0000000000000000 ] - [ 0.0043222600000000, 0.0044817800000000, -0.0051218400000000 ] - [ -0.0009249900000000, 0.0001475800000000, -0.0001682500000000 ] - [ -0.0043222600000000, 0.0044817800000000, 0.0051218400000000 ] - [ 0.0009249900000000, 0.0001475800000000, 0.0001682500000000 ] - [ 0.0000018600000000, 0.0022094700000000, -0.0000007100000000 ] - [ -0.0000018600000000, 0.0022094700000000, 0.0000007100000000 ] - [ -0.0000058500000000, -0.0075348700000000, -0.0000000900000000 ] - [ 0.0000058500000000, -0.0075348700000000, 0.0000000900000000 ] - [ 0.0043655600000000, 0.0045011700000000, -0.0051580900000000 ] - [ -0.0009252200000000, 0.0001466500000000, -0.0001679200000000 ] - [ -0.0043655600000000, 0.0045011700000000, 0.0051580900000000 ] - [ 0.0009252200000000, 0.0001466500000000, 0.0001679200000000 ] - [ 0.0000061500000000, 0.0053038000000000, 0.0000027700000000 ] - [ -0.0000061500000000, 0.0053038000000000, -0.0000027700000000 ] - [ -0.0000015500000000, -0.0057723100000000, -0.0000009100000000 ] - [ 0.0000015500000000, -0.0057723100000000, 0.0000009100000000 ] - [ 0.0076181900000000, 0.0100573800000000, 0.0097174800000000 ] - [ -0.0013057900000000, 0.0002639400000000, 0.0003746000000000 ] - [ -0.0076181900000000, 0.0100573800000000, -0.0097174800000000 ] - [ 0.0013057900000000, 0.0002639400000000, -0.0003746000000000 ] - [ 0.0000000000000000, -0.0248003000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012534700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0117594400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012830000000000, 0.0000000000000000 ] - [ 0.0076989400000000, 0.0100808000000000, 0.0097740200000000 ] - [ -0.0013086700000000, 0.0002619600000000, 0.0003739900000000 ] - [ -0.0076989400000000, 0.0100808000000000, -0.0097740200000000 ] - [ 0.0013086700000000, 0.0002619600000000, -0.0003739900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0027255000000000, -0.0065837700000000, -0.0053615200000000 ] - [ -0.0010630500000000, -0.0023213400000000, 0.0009563400000000 ] - [ -0.0004629500000000, 0.0007500800000000, 0.0001534200000000 ] - [ -0.0010498500000000, 0.0023195200000000, -0.0009762600000000 ] - [ 0.0010169500000000, 0.0025190400000000, 0.0010823500000000 ] - [ -0.0003900100000000, 0.0022385600000000, 0.0006509200000000 ] - [ 0.0006646200000000, -0.0022878300000000, -0.0009742000000000 ] - [ 0.0008068100000000, -0.0023324400000000, -0.0007793900000000 ] - [ 0.0006646200000000, 0.0022878300000000, -0.0009742000000000 ] - [ 0.0008068100000000, 0.0023324400000000, -0.0007793900000000 ] - [ 0.0010169500000000, -0.0025190400000000, 0.0010823500000000 ] - [ -0.0003900100000000, -0.0022385600000000, 0.0006509200000000 ] - [ -0.0004629500000000, -0.0007500800000000, 0.0001534200000000 ] - [ -0.0010498500000000, -0.0023195200000000, -0.0009762600000000 ] - [ -0.0027255000000000, 0.0065837700000000, -0.0053615200000000 ] - [ -0.0010630500000000, 0.0023213400000000, 0.0009563400000000 ] - [ 0.0003835800000000, 0.0000000000000000, 0.0072429800000000 ] - [ -0.0001924600000000, 0.0000000000000000, 0.0067971800000000 ] - [ 0.0018453400000000, 0.0000000000000000, -0.0116597500000000 ] - [ -0.0004986800000000, 0.0000000000000000, -0.0070082800000000 ] - [ -0.0000835300000000, -0.0007445300000000, 0.0046781300000000 ] - [ -0.0001814600000000, -0.0015236800000000, -0.0016101100000000 ] - [ -0.0004851800000000, 0.0004490800000000, 0.0000097600000000 ] - [ -0.0001784900000000, 0.0015535500000000, 0.0016792900000000 ] - [ -0.0004996000000000, 0.0027109900000000, -0.0035079300000000 ] - [ -0.0001767600000000, 0.0015878300000000, -0.0018371800000000 ] - [ -0.0000886400000000, -0.0024181000000000, 0.0082288200000000 ] - [ -0.0001854800000000, -0.0016185100000000, 0.0019087600000000 ] - [ -0.0009128700000000, -0.0022074500000000, 0.0011193600000000 ] - [ -0.0010643700000000, -0.0022615800000000, 0.0009170500000000 ] - [ -0.0021327500000000, 0.0022992500000000, -0.0012078900000000 ] - [ -0.0006994200000000, 0.0020236600000000, -0.0007925500000000 ] - [ 0.0012579900000000, 0.0038061600000000, 0.0020614900000000 ] - [ 0.0006772300000000, 0.0022321300000000, 0.0009114400000000 ] - [ -0.0010115600000000, 0.0020164300000000, -0.0070732800000000 ] - [ 0.0006648600000000, -0.0022293500000000, -0.0009279300000000 ] - [ -0.0010115600000000, -0.0020164300000000, -0.0070732800000000 ] - [ 0.0006648600000000, 0.0022293500000000, -0.0009279300000000 ] - [ 0.0012579900000000, -0.0038061600000000, 0.0020614900000000 ] - [ 0.0006772300000000, -0.0022321300000000, 0.0009114400000000 ] - [ -0.0021327500000000, -0.0022992500000000, -0.0012078900000000 ] - [ -0.0006994200000000, -0.0020236600000000, -0.0007925500000000 ] - [ -0.0009128700000000, 0.0022074500000000, 0.0011193600000000 ] - [ -0.0010643700000000, 0.0022615800000000, 0.0009170500000000 ] - [ 0.0019154600000000, 0.0000000000000000, 0.0019698300000000 ] - [ -0.0005014500000000, 0.0000000000000000, 0.0066284300000000 ] - [ 0.0003912600000000, 0.0000000000000000, -0.0063932800000000 ] - [ -0.0001894500000000, 0.0000000000000000, -0.0068415000000000 ] - [ -0.0004996000000000, -0.0027109900000000, -0.0035079300000000 ] - [ -0.0001767600000000, -0.0015878300000000, -0.0018371800000000 ] - [ -0.0000886400000000, 0.0024181000000000, 0.0082288200000000 ] - [ -0.0001854800000000, 0.0016185100000000, 0.0019087600000000 ] - [ -0.0000835300000000, 0.0007445300000000, 0.0046781300000000 ] - [ -0.0001814600000000, 0.0015236800000000, -0.0016101100000000 ] - [ -0.0004851800000000, -0.0004490800000000, 0.0000097600000000 ] - [ -0.0001784900000000, -0.0015535500000000, 0.0016792900000000 ] - [ -0.0025692800000000, 0.0000000000000000, -0.0217694500000000 ] - [ 0.0002626600000000, 0.0000000000000000, 0.0000019600000000 ] - [ -0.0011457800000000, 0.0000000000000000, 0.0008795300000000 ] - [ 0.0002509900000000, 0.0000000000000000, -0.0000339400000000 ] - [ -0.0040882300000000, -0.0036234000000000, 0.0005117200000000 ] - [ 0.0003809600000000, -0.0001681000000000, -0.0000687800000000 ] - [ -0.0040515600000000, 0.0035983000000000, 0.0005624400000000 ] - [ 0.0003800600000000, 0.0001651500000000, -0.0000645600000000 ] - [ 0.0005156300000000, 0.0000000000000000, -0.0000943100000000 ] - [ 0.0005034600000000, 0.0000000000000000, -0.0000906300000000 ] - [ 0.0005276300000000, 0.0000000000000000, -0.0011930500000000 ] - [ 0.0005780100000000, 0.0000000000000000, -0.0011930000000000 ] - [ -0.0040515600000000, -0.0035983000000000, 0.0005624400000000 ] - [ 0.0003800600000000, -0.0001651500000000, -0.0000645600000000 ] - [ -0.0040882300000000, 0.0036234000000000, 0.0005117200000000 ] - [ 0.0003809600000000, 0.0001681000000000, -0.0000687800000000 ] - [ 0.0001268500000000, 0.0000000000000000, 0.0000351500000000 ] - [ 0.0001271400000000, 0.0000000000000000, 0.0000240500000000 ] - [ -0.0008409900000000, 0.0000000000000000, 0.0022399300000000 ] - [ -0.0009157800000000, 0.0000000000000000, 0.0022472100000000 ] - [ 0.0089241400000000, 0.0086112000000000, -0.0019000700000000 ] - [ 0.0002163700000000, 0.0001494700000000, -0.0000547900000000 ] - [ 0.0090292600000000, -0.0086832500000000, -0.0020304500000000 ] - [ 0.0002133600000000, -0.0001532000000000, -0.0000627600000000 ] - [ -0.0056321400000000, 0.0000000000000000, 0.0388438400000000 ] - [ 0.0006979600000000, 0.0000000000000000, 0.0001375200000000 ] - [ -0.0014113300000000, 0.0000000000000000, -0.0032362300000000 ] - [ 0.0003686700000000, 0.0000000000000000, 0.0000625300000000 ] - [ 0.0090292600000000, 0.0086832500000000, -0.0020304500000000 ] - [ 0.0002133600000000, 0.0001532000000000, -0.0000627600000000 ] - [ 0.0089241400000000, -0.0086112000000000, -0.0019000700000000 ] - [ 0.0002163700000000, -0.0001494700000000, -0.0000547900000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023523800000000, -0.0019261600000000, -0.0021724500000000 ] - [ -0.0030188300000000, -0.0025505200000000, 0.0011836400000000 ] - [ 0.0023523800000000, 0.0019261600000000, 0.0021724500000000 ] - [ -0.0030188300000000, 0.0025505200000000, -0.0011836400000000 ] - [ -0.0007448000000000, 0.0017047600000000, 0.0007472500000000 ] - [ 0.0025080700000000, 0.0029928600000000, 0.0011583700000000 ] - [ -0.0007448000000000, -0.0017047600000000, -0.0007472500000000 ] - [ 0.0025080700000000, -0.0029928600000000, -0.0011583700000000 ] - [ -0.0012920200000000, 0.0020030400000000, -0.0007032200000000 ] - [ 0.0040239300000000, 0.0026010800000000, -0.0040128500000000 ] - [ -0.0012920200000000, -0.0020030400000000, 0.0007032200000000 ] - [ 0.0040239300000000, -0.0026010800000000, 0.0040128500000000 ] - [ 0.0007936100000000, -0.0015593000000000, -0.0007281400000000 ] - [ -0.0024729800000000, -0.0028453500000000, -0.0011395900000000 ] - [ 0.0007936100000000, 0.0015593000000000, 0.0007281400000000 ] - [ -0.0024729800000000, 0.0028453500000000, 0.0011395900000000 ] - [ -0.0020842900000000, 0.0014883600000000, 0.0086698400000000 ] - [ -0.0020966800000000, -0.0014844400000000, 0.0049771700000000 ] - [ -0.0020842900000000, -0.0014883600000000, -0.0086698400000000 ] - [ -0.0020966800000000, 0.0014844400000000, -0.0049771700000000 ] - [ 0.0043879200000000, -0.0016047000000000, -0.0017117000000000 ] - [ -0.0019503100000000, -0.0015701700000000, -0.0017577000000000 ] - [ 0.0043879200000000, 0.0016047000000000, 0.0017117000000000 ] - [ -0.0019503100000000, 0.0015701700000000, 0.0017577000000000 ] - [ -0.0025987200000000, 0.0033007600000000, -0.0049046700000000 ] - [ -0.0025884300000000, -0.0001459500000000, 0.0013648700000000 ] - [ -0.0025987200000000, -0.0033007600000000, 0.0049046700000000 ] - [ -0.0025884300000000, 0.0001459500000000, -0.0013648700000000 ] - [ -0.0020975400000000, -0.0021067100000000, 0.0010100400000000 ] - [ 0.0000930900000000, -0.0046622400000000, 0.0009012400000000 ] - [ -0.0020975400000000, 0.0021067100000000, -0.0010100400000000 ] - [ 0.0000930900000000, 0.0046622400000000, -0.0009012400000000 ] - [ 0.0060187300000000, 0.0029417600000000, 0.0022532700000000 ] - [ -0.0029015400000000, 0.0011937400000000, 0.0003562000000000 ] - [ 0.0060187300000000, -0.0029417600000000, -0.0022532700000000 ] - [ -0.0029015400000000, -0.0011937400000000, -0.0003562000000000 ] - [ 0.0018292500000000, -0.0001243400000000, -0.0009869600000000 ] - [ -0.0003736300000000, 0.0024415800000000, -0.0008751600000000 ] - [ 0.0018292500000000, 0.0001243400000000, 0.0009869600000000 ] - [ -0.0003736300000000, -0.0024415800000000, 0.0008751600000000 ] - [ -0.0046353900000000, -0.0033632000000000, -0.0015336800000000 ] - [ 0.0037692500000000, -0.0013424500000000, 0.0004587800000000 ] - [ -0.0046353900000000, 0.0033632000000000, 0.0015336800000000 ] - [ 0.0037692500000000, 0.0013424500000000, -0.0004587800000000 ] - [ 0.0087975800000000, 0.0000122700000000, 0.0068212400000000 ] - [ -0.0031616000000000, -0.0000015000000000, 0.0068181000000000 ] - [ 0.0087975800000000, -0.0000122700000000, -0.0068212400000000 ] - [ -0.0031616000000000, 0.0000015000000000, -0.0068181000000000 ] - [ -0.0004004800000000, -0.0009450600000000, -0.0019608600000000 ] - [ -0.0004049400000000, -0.0021919300000000, -0.0015588500000000 ] - [ -0.0004004800000000, 0.0009450600000000, 0.0019608600000000 ] - [ -0.0004049400000000, 0.0021919300000000, 0.0015588500000000 ] - [ 0.0016369000000000, 0.0015786800000000, -0.0017579800000000 ] - [ -0.0012080900000000, 0.0015695400000000, -0.0017577000000000 ] - [ 0.0016369000000000, -0.0015786800000000, 0.0017579800000000 ] - [ -0.0012080900000000, -0.0015695400000000, 0.0017577000000000 ] - [ -0.0017389100000000, 0.0043475300000000, -0.0040873200000000 ] - [ 0.0024728500000000, -0.0009214200000000, 0.0003800400000000 ] - [ -0.0017389100000000, -0.0043475300000000, 0.0040873200000000 ] - [ 0.0024728500000000, 0.0009214200000000, -0.0003800400000000 ] - [ -0.0507469900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0035701100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009762900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009935700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0024745900000000, -0.0009287200000000, 0.0003807400000000 ] - [ -0.0016883600000000, 0.0043399600000000, -0.0040525300000000 ] - [ 0.0024745900000000, 0.0009287200000000, -0.0003807400000000 ] - [ -0.0016883600000000, -0.0043399600000000, 0.0040525300000000 ] - [ 0.0000716500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000829500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0033518000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0019910500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0048156600000000, -0.0016189900000000, -0.0009507300000000 ] - [ -0.0059819600000000, 0.0121444000000000, 0.0099646300000000 ] - [ 0.0048156600000000, 0.0016189900000000, 0.0009507300000000 ] - [ -0.0059819600000000, -0.0121444000000000, -0.0099646300000000 ] - [ -0.0103484700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0048561300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0228579800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0225858500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0060512300000000, 0.0122049900000000, 0.0100531700000000 ] - [ 0.0048184200000000, -0.0016081500000000, -0.0009459300000000 ] - [ -0.0060512300000000, -0.0122049900000000, -0.0100531700000000 ] - [ 0.0048184200000000, 0.0016081500000000, 0.0009459300000000 ] - [ 0.0021537900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0021573700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0039838800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0035313500000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015619000000000, 0.0005390900000000, 0.0005612200000000 ] - [ -0.0005718900000000, -0.0017943100000000, 0.0007156700000000 ] - [ -0.0001375000000000, 0.0050527000000000, -0.0012869200000000 ] - [ -0.0011559300000000, 0.0027559800000000, -0.0011696800000000 ] - [ 0.0005483200000000, 0.0017873300000000, 0.0007253600000000 ] - [ 0.0014925400000000, -0.0001718800000000, -0.0006115700000000 ] - [ 0.0011784500000000, -0.0027656000000000, -0.0011619300000000 ] - [ 0.0002450300000000, -0.0047244700000000, -0.0024880200000000 ] - [ 0.0011559300000000, 0.0027559800000000, -0.0011696800000000 ] - [ 0.0001375000000000, 0.0050527000000000, -0.0012869200000000 ] - [ 0.0005718900000000, -0.0017943100000000, 0.0007156700000000 ] - [ 0.0015619000000000, 0.0005390900000000, 0.0005612200000000 ] - [ -0.0002450300000000, -0.0047244700000000, -0.0024880200000000 ] - [ -0.0011784500000000, -0.0027656000000000, -0.0011619300000000 ] - [ -0.0014925400000000, -0.0001718800000000, -0.0006115700000000 ] - [ -0.0005483200000000, 0.0017873300000000, 0.0007253600000000 ] - [ 0.0017017900000000, -0.0006450900000000, 0.0059048800000000 ] - [ -0.0017017900000000, -0.0006450900000000, 0.0059048800000000 ] - [ -0.0016964600000000, -0.0006354700000000, -0.0077317700000000 ] - [ 0.0016964600000000, -0.0006354700000000, -0.0077317700000000 ] - [ 0.0000000000000000, 0.0166570200000000, -0.0238964500000000 ] - [ 0.0000000000000000, -0.0011796400000000, -0.0016986900000000 ] - [ 0.0000000000000000, 0.0197184000000000, -0.0196551200000000 ] - [ 0.0000000000000000, 0.0019602700000000, 0.0018186200000000 ] - [ 0.0010196400000000, 0.0037957300000000, -0.0012211400000000 ] - [ -0.0010196400000000, 0.0037957300000000, -0.0012211400000000 ] - [ -0.0010157300000000, 0.0006597500000000, 0.0022959000000000 ] - [ 0.0010157300000000, 0.0006597500000000, 0.0022959000000000 ] - [ -0.0005089100000000, -0.0028250900000000, 0.0010778600000000 ] - [ -0.0029734900000000, -0.0057959800000000, 0.0020587900000000 ] - [ -0.0012225200000000, 0.0017295700000000, -0.0008094700000000 ] - [ 0.0012677200000000, -0.0012473000000000, 0.0001753500000000 ] - [ 0.0028891700000000, 0.0077903700000000, 0.0022903500000000 ] - [ -0.0006761600000000, 0.0026715700000000, 0.0009513700000000 ] - [ -0.0010245000000000, 0.0033211900000000, 0.0004568100000000 ] - [ 0.0023995800000000, -0.0018771900000000, -0.0009343300000000 ] - [ -0.0012677200000000, -0.0012473000000000, 0.0001753500000000 ] - [ 0.0012225200000000, 0.0017295700000000, -0.0008094700000000 ] - [ 0.0029734900000000, -0.0057959800000000, 0.0020587900000000 ] - [ 0.0005089100000000, -0.0028250900000000, 0.0010778600000000 ] - [ -0.0023995800000000, -0.0018771900000000, -0.0009343300000000 ] - [ 0.0010245000000000, 0.0033211900000000, 0.0004568100000000 ] - [ 0.0006761600000000, 0.0026715700000000, 0.0009513700000000 ] - [ -0.0028891700000000, 0.0077903700000000, 0.0022903500000000 ] - [ 0.0000000000000000, -0.0052189300000000, 0.0023052300000000 ] - [ 0.0000000000000000, -0.0001705400000000, 0.0066520800000000 ] - [ 0.0000000000000000, -0.0053112700000000, -0.0113301100000000 ] - [ 0.0000000000000000, -0.0001727800000000, -0.0069852500000000 ] - [ 0.0003709600000000, -0.0026349900000000, -0.0016996000000000 ] - [ -0.0003709600000000, -0.0026349900000000, -0.0016996000000000 ] - [ -0.0003766900000000, 0.0005082400000000, 0.0018205000000000 ] - [ 0.0003766900000000, 0.0005082400000000, 0.0018205000000000 ] - [ 0.0000000000000000, -0.0015043000000000, -0.0010025900000000 ] - [ 0.0000000000000000, 0.0012575000000000, -0.0017486700000000 ] - [ 0.0000000000000000, -0.0046526800000000, 0.0025019300000000 ] - [ 0.0000000000000000, -0.0018827300000000, 0.0017664600000000 ] - [ 0.0041933000000000, 0.0044877400000000, -0.0036316100000000 ] - [ -0.0003494000000000, 0.0001449500000000, -0.0001666200000000 ] - [ -0.0041750200000000, 0.0044950300000000, -0.0035902100000000 ] - [ 0.0003484500000000, 0.0001493700000000, -0.0001663500000000 ] - [ 0.0000000000000000, -0.0565393600000000, 0.0488071500000000 ] - [ 0.0000000000000000, -0.0010166600000000, -0.0002080600000000 ] - [ -0.0000046700000000, -0.0019493600000000, 0.0000656200000000 ] - [ 0.0000046700000000, -0.0019493600000000, 0.0000656200000000 ] - [ -0.0003484500000000, 0.0001493700000000, -0.0001663500000000 ] - [ 0.0041750200000000, 0.0044950300000000, -0.0035902100000000 ] - [ 0.0003494000000000, 0.0001449500000000, -0.0001666200000000 ] - [ -0.0041933000000000, 0.0044877400000000, -0.0036316100000000 ] - [ 0.0000038500000000, 0.0014923200000000, 0.0000555100000000 ] - [ -0.0000038500000000, 0.0014923200000000, 0.0000555100000000 ] - [ 0.0000000000000000, 0.0059135800000000, -0.0009786100000000 ] - [ 0.0000000000000000, 0.0006099000000000, -0.0000961900000000 ] - [ -0.0014582000000000, 0.0004369300000000, 0.0004051500000000 ] - [ 0.0100923000000000, 0.0073371400000000, 0.0086789000000000 ] - [ 0.0014560100000000, 0.0004310400000000, 0.0004070900000000 ] - [ -0.0102341100000000, 0.0073214200000000, 0.0087589300000000 ] - [ 0.0000000000000000, -0.0165524000000000, -0.0092072400000000 ] - [ 0.0000000000000000, -0.0012552800000000, 0.0000984700000000 ] - [ -0.0000169300000000, -0.0137151200000000, -0.0037055100000000 ] - [ 0.0000169300000000, -0.0137151200000000, -0.0037055100000000 ] - [ 0.0102341100000000, 0.0073214200000000, 0.0087589300000000 ] - [ -0.0014560100000000, 0.0004310400000000, 0.0004070900000000 ] - [ -0.0100923000000000, 0.0073371400000000, 0.0086789000000000 ] - [ 0.0014582000000000, 0.0004369300000000, 0.0004051500000000 ] - [ 0.0000117400000000, 0.0044164200000000, -0.0005845500000000 ] - [ -0.0000117400000000, 0.0044164200000000, -0.0005845500000000 ] - [ 0.0000000000000000, 0.0071032700000000, -0.0001775200000000 ] - [ 0.0000000000000000, 0.0011525900000000, 0.0001425900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011035900000000, -0.0036053400000000, -0.0056220300000000 ] - [ -0.0008273300000000, -0.0022560900000000, 0.0007830500000000 ] - [ -0.0006393400000000, 0.0009738600000000, -0.0074941700000000 ] - [ -0.0008990900000000, 0.0022955700000000, -0.0011027900000000 ] - [ 0.0008305800000000, 0.0022315100000000, 0.0008511100000000 ] - [ 0.0011794100000000, 0.0019962100000000, -0.0004467100000000 ] - [ 0.0008961200000000, -0.0023197100000000, -0.0010356400000000 ] - [ 0.0005478200000000, -0.0025507800000000, -0.0023382300000000 ] - [ 0.0008990900000000, 0.0022955700000000, -0.0011027900000000 ] - [ 0.0006393400000000, 0.0009738600000000, -0.0074941700000000 ] - [ 0.0008273300000000, -0.0022560900000000, 0.0007830500000000 ] - [ 0.0011035900000000, -0.0036053400000000, -0.0056220300000000 ] - [ -0.0005478200000000, -0.0025507800000000, -0.0023382300000000 ] - [ -0.0008961200000000, -0.0023197100000000, -0.0010356400000000 ] - [ -0.0011794100000000, 0.0019962100000000, -0.0004467100000000 ] - [ -0.0008305800000000, 0.0022315100000000, 0.0008511100000000 ] - [ 0.0002324100000000, -0.0000983500000000, 0.0065981800000000 ] - [ -0.0002324100000000, -0.0000983500000000, 0.0065981800000000 ] - [ -0.0002338000000000, -0.0000968000000000, -0.0070293500000000 ] - [ 0.0002338000000000, -0.0000968000000000, -0.0070293500000000 ] - [ 0.0000000000000000, -0.0226993400000000, 0.0407699300000000 ] - [ 0.0000000000000000, -0.0015744600000000, -0.0017789200000000 ] - [ 0.0000000000000000, -0.0210025600000000, 0.0467329700000000 ] - [ 0.0000000000000000, 0.0015654500000000, 0.0017393300000000 ] - [ -0.0012445300000000, 0.0017107500000000, -0.0010939500000000 ] - [ 0.0012445300000000, 0.0017107500000000, -0.0010939500000000 ] - [ 0.0012358700000000, -0.0014240300000000, 0.0024056300000000 ] - [ -0.0012358700000000, -0.0014240300000000, 0.0024056300000000 ] - [ -0.0007538400000000, -0.0023491500000000, 0.0010758800000000 ] - [ -0.0015167200000000, -0.0032042900000000, 0.0017524500000000 ] - [ -0.0009739200000000, 0.0022028700000000, -0.0008093400000000 ] - [ -0.0002082700000000, 0.0013552700000000, -0.0001346700000000 ] - [ 0.0018703900000000, 0.0028448900000000, 0.0038626100000000 ] - [ 0.0003138500000000, 0.0022544000000000, 0.0012282700000000 ] - [ -0.0001364900000000, -0.0016914600000000, 0.0019669700000000 ] - [ 0.0014069400000000, -0.0022966400000000, -0.0006591400000000 ] - [ 0.0002082700000000, 0.0013552700000000, -0.0001346700000000 ] - [ 0.0009739200000000, 0.0022028700000000, -0.0008093400000000 ] - [ 0.0015167200000000, -0.0032042900000000, 0.0017524500000000 ] - [ 0.0007538400000000, -0.0023491500000000, 0.0010758800000000 ] - [ -0.0014069400000000, -0.0022966400000000, -0.0006591400000000 ] - [ 0.0001364900000000, -0.0016914600000000, 0.0019669700000000 ] - [ -0.0003138500000000, 0.0022544000000000, 0.0012282700000000 ] - [ -0.0018703900000000, 0.0028448900000000, 0.0038626100000000 ] - [ 0.0000000000000000, -0.0035201700000000, 0.0067182700000000 ] - [ 0.0000000000000000, -0.0000517600000000, 0.0067495000000000 ] - [ 0.0000000000000000, -0.0035436400000000, -0.0069430600000000 ] - [ 0.0000000000000000, -0.0000527200000000, -0.0068890400000000 ] - [ -0.0001030300000000, -0.0014823700000000, -0.0015808700000000 ] - [ 0.0001030300000000, -0.0014823700000000, -0.0015808700000000 ] - [ 0.0001022800000000, 0.0016573900000000, 0.0019341200000000 ] - [ -0.0001022800000000, 0.0016573900000000, 0.0019341200000000 ] - [ 0.0000000000000000, 0.0041148300000000, -0.0024180100000000 ] - [ 0.0000000000000000, 0.0015618100000000, -0.0017680500000000 ] - [ 0.0000000000000000, 0.0009876100000000, 0.0010973100000000 ] - [ 0.0000000000000000, -0.0015783000000000, 0.0017481700000000 ] - [ -0.0055654600000000, -0.0051209000000000, 0.0005438500000000 ] - [ 0.0002584800000000, -0.0001678000000000, -0.0000664100000000 ] - [ 0.0056004800000000, -0.0051584900000000, 0.0005305500000000 ] - [ -0.0002596000000000, -0.0001683200000000, -0.0000668300000000 ] - [ 0.0000000000000000, 0.0488315700000000, -0.1230843300000000 ] - [ 0.0000000000000000, -0.0002080900000000, -0.0001932100000000 ] - [ 0.0000103100000000, -0.0000657100000000, 0.0012016000000000 ] - [ -0.0000103100000000, -0.0000657100000000, 0.0012016000000000 ] - [ 0.0002596000000000, -0.0001683200000000, -0.0000668300000000 ] - [ -0.0056004800000000, -0.0051584900000000, 0.0005305500000000 ] - [ -0.0002584800000000, -0.0001678000000000, -0.0000664100000000 ] - [ 0.0055654600000000, -0.0051209000000000, 0.0005438500000000 ] - [ 0.0000020400000000, 0.0000557000000000, 0.0003011700000000 ] - [ -0.0000020400000000, 0.0000557000000000, 0.0003011700000000 ] - [ 0.0000000000000000, 0.0009786800000000, -0.0023550900000000 ] - [ 0.0000000000000000, 0.0000960800000000, -0.0000772300000000 ] - [ -0.0003316500000000, 0.0001763700000000, 0.0002560200000000 ] - [ 0.0057974400000000, 0.0053287300000000, 0.0033930300000000 ] - [ 0.0003309200000000, 0.0001743800000000, 0.0002528400000000 ] - [ -0.0058368300000000, 0.0053554300000000, 0.0033350500000000 ] - [ 0.0000000000000000, 0.0087160700000000, 0.0404248800000000 ] - [ 0.0000000000000000, -0.0000482400000000, 0.0002550100000000 ] - [ -0.0000298500000000, -0.0031060500000000, -0.0045619400000000 ] - [ 0.0000298500000000, -0.0031060500000000, -0.0045619400000000 ] - [ 0.0058368300000000, 0.0053554300000000, 0.0033350500000000 ] - [ -0.0003309200000000, 0.0001743800000000, 0.0002528400000000 ] - [ -0.0057974400000000, 0.0053287300000000, 0.0033930300000000 ] - [ 0.0003316500000000, 0.0001763700000000, 0.0002560200000000 ] - [ -0.0000011800000000, 0.0005385300000000, -0.0008157400000000 ] - [ 0.0000011800000000, 0.0005385300000000, -0.0008157400000000 ] - [ 0.0000000000000000, -0.0006318000000000, 0.0043203200000000 ] - [ 0.0000000000000000, 0.0000797800000000, 0.0001221200000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015674000000000, -0.0006518200000000, 0.0000418200000000 ] - [ -0.0011390700000000, -0.0043077300000000, 0.0021524100000000 ] - [ -0.0117010600000000, 0.0101209300000000, -0.0056128700000000 ] - [ -0.0054695300000000, -0.0050369200000000, 0.0068873500000000 ] - [ 0.0044878700000000, 0.0051969500000000, 0.0028172900000000 ] - [ -0.0020956200000000, 0.0014999100000000, 0.0005381000000000 ] - [ 0.0262236500000000, -0.0154969000000000, -0.0114432600000000 ] - [ -0.0040403600000000, -0.0013171300000000, -0.0003685000000000 ] - [ 0.0262236500000000, 0.0154969000000000, -0.0114432600000000 ] - [ -0.0040403600000000, 0.0013171300000000, -0.0003685000000000 ] - [ 0.0044878700000000, -0.0051969500000000, 0.0028172900000000 ] - [ -0.0020956200000000, -0.0014999100000000, 0.0005381000000000 ] - [ -0.0117010600000000, -0.0101209300000000, -0.0056128700000000 ] - [ -0.0054695300000000, 0.0050369200000000, 0.0068873500000000 ] - [ -0.0015674000000000, 0.0006518200000000, 0.0000418200000000 ] - [ -0.0011390700000000, 0.0043077300000000, 0.0021524100000000 ] - [ 0.1190522200000000, 0.0000000000000000, 0.0500763700000000 ] - [ -0.0069480900000000, 0.0000000000000000, 0.0074815300000000 ] - [ 0.0036578700000000, 0.0000000000000000, -0.0063493600000000 ] - [ -0.0036227100000000, 0.0000000000000000, -0.0069254800000000 ] - [ -0.0024388400000000, -0.0002359500000000, -0.0013766400000000 ] - [ 0.0019119200000000, -0.0048588500000000, -0.0020481000000000 ] - [ -0.0031694400000000, 0.0020615100000000, 0.0008695500000000 ] - [ 0.0029602900000000, -0.0003034700000000, 0.0020995400000000 ] - [ 0.0029216300000000, 0.0034430100000000, -0.0014084600000000 ] - [ -0.0031700100000000, 0.0010731200000000, -0.0026357200000000 ] - [ 0.0018874900000000, 0.0017218300000000, 0.0014596300000000 ] - [ -0.0024379600000000, -0.0029033700000000, 0.0021311100000000 ] - [ 0.0247741400000000, 0.0113244900000000, -0.0099060100000000 ] - [ -0.0057585100000000, -0.0032279300000000, 0.0015158600000000 ] - [ 0.0027651500000000, -0.0006728300000000, 0.0009408400000000 ] - [ -0.0038220900000000, 0.0030538200000000, -0.0013486800000000 ] - [ -0.0037095200000000, 0.0095396000000000, 0.0087336600000000 ] - [ -0.0099716600000000, -0.0055537200000000, -0.0037282500000000 ] - [ 0.0005783200000000, -0.0002539000000000, 0.0002574800000000 ] - [ 0.0001601700000000, -0.0039001700000000, -0.0018430500000000 ] - [ 0.0005783200000000, 0.0002539000000000, 0.0002574800000000 ] - [ 0.0001601700000000, 0.0039001700000000, -0.0018430500000000 ] - [ -0.0037095200000000, -0.0095396000000000, 0.0087336600000000 ] - [ -0.0099716600000000, 0.0055537200000000, -0.0037282500000000 ] - [ 0.0027651500000000, 0.0006728300000000, 0.0009408400000000 ] - [ -0.0038220900000000, -0.0030538200000000, -0.0013486800000000 ] - [ 0.0247741400000000, -0.0113244900000000, -0.0099060100000000 ] - [ -0.0057585100000000, 0.0032279300000000, 0.0015158600000000 ] - [ -0.0036254600000000, 0.0000000000000000, 0.0067102000000000 ] - [ 0.0036823100000000, 0.0000000000000000, 0.0072846400000000 ] - [ -0.0069273900000000, 0.0000000000000000, -0.0061557200000000 ] - [ 0.1272860700000000, 0.0000000000000000, 0.0400832700000000 ] - [ 0.0029216300000000, -0.0034430100000000, -0.0014084600000000 ] - [ -0.0031700100000000, -0.0010731200000000, -0.0026357200000000 ] - [ 0.0018874900000000, -0.0017218300000000, 0.0014596300000000 ] - [ -0.0024379600000000, 0.0029033700000000, 0.0021311100000000 ] - [ -0.0024388400000000, 0.0002359500000000, -0.0013766400000000 ] - [ 0.0019119200000000, 0.0048588500000000, -0.0020481000000000 ] - [ -0.0031694400000000, -0.0020615100000000, 0.0008695500000000 ] - [ 0.0029602900000000, 0.0003034700000000, 0.0020995400000000 ] - [ 0.0012347400000000, 0.0000000000000000, 0.0001257500000000 ] - [ 0.0012302800000000, 0.0000000000000000, 0.0001278800000000 ] - [ 0.0025273700000000, 0.0000000000000000, 0.0008886300000000 ] - [ 0.0025185200000000, 0.0000000000000000, 0.0008680600000000 ] - [ 0.0048096700000000, -0.0014520000000000, -0.0003291500000000 ] - [ -0.0060331500000000, 0.0101861500000000, 0.0058329100000000 ] - [ -0.0060019200000000, -0.0101382600000000, 0.0058019900000000 ] - [ 0.0048243600000000, 0.0014637700000000, -0.0003318700000000 ] - [ -0.0113408800000000, 0.0000000000000000, -0.0056323900000000 ] - [ 0.0049302600000000, 0.0000000000000000, 0.0006979000000000 ] - [ -0.0065416200000000, 0.0000000000000000, 0.0014116500000000 ] - [ 0.0041663000000000, 0.0000000000000000, -0.0003685900000000 ] - [ -0.0060019200000000, 0.0101382600000000, 0.0058019900000000 ] - [ 0.0048243600000000, -0.0014637700000000, -0.0003318700000000 ] - [ 0.0048096700000000, 0.0014520000000000, -0.0003291500000000 ] - [ -0.0060331500000000, -0.0101861500000000, 0.0058329100000000 ] - [ -0.3900612000000000, 0.0000000000000000, -0.0323188300000000 ] - [ 0.0111994100000000, 0.0000000000000000, -0.0014074800000000 ] - [ -0.0086053300000000, 0.0000000000000000, -0.0038486800000000 ] - [ 0.0062897600000000, 0.0000000000000000, 0.0006649900000000 ] - [ 0.0094917200000000, -0.0046091800000000, 0.0012801200000000 ] - [ -0.0021396600000000, 0.0161071000000000, -0.0099709900000000 ] - [ -0.0020295300000000, -0.0160156600000000, -0.0099067300000000 ] - [ 0.0094964300000000, 0.0046273100000000, 0.0012806100000000 ] - [ 0.0007443300000000, 0.0000000000000000, -0.0003383900000000 ] - [ 0.0007304000000000, 0.0000000000000000, -0.0003489900000000 ] - [ 0.0533589300000000, 0.0000000000000000, -0.0088038200000000 ] - [ 0.0538689300000000, 0.0000000000000000, -0.0086871200000000 ] - [ -0.0020295300000000, 0.0160156600000000, -0.0099067300000000 ] - [ 0.0094964300000000, -0.0046273100000000, 0.0012806100000000 ] - [ 0.0094917200000000, 0.0046091800000000, 0.0012801200000000 ] - [ -0.0021396600000000, -0.0161071000000000, -0.0099709900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004414600000000, -0.0035630100000000, 0.0012265700000000 ] - [ -0.0032279500000000, -0.0051763900000000, 0.0023666800000000 ] - [ -0.0008385800000000, 0.0044792400000000, -0.0015053000000000 ] - [ -0.0084657700000000, 0.0063688300000000, -0.0029959100000000 ] - [ -0.0000712600000000, -0.0079088300000000, -0.0029799800000000 ] - [ 0.0005179200000000, 0.0016994000000000, 0.0007034200000000 ] - [ -0.0108877800000000, 0.0670884400000000, 0.0538388900000000 ] - [ 0.0006254200000000, -0.0017088600000000, -0.0006417000000000 ] - [ 0.0134221600000000, 0.0742220600000000, -0.0591168900000000 ] - [ 0.0010988900000000, 0.0028430600000000, -0.0012434000000000 ] - [ 0.0017830500000000, -0.0124334500000000, 0.0048790800000000 ] - [ 0.0012092000000000, -0.0028493900000000, 0.0011827800000000 ] - [ -0.0009120600000000, -0.0001030400000000, -0.0003924100000000 ] - [ 0.0067356100000000, 0.0017960900000000, 0.0010960600000000 ] - [ -0.0021573700000000, 0.0009816100000000, 0.0006591300000000 ] - [ 0.0014885200000000, -0.0006279800000000, -0.0004661600000000 ] - [ 0.0004128200000000, 0.0161572400000000, 0.0069609100000000 ] - [ -0.0000013800000000, 0.0019817500000000, 0.0068166100000000 ] - [ -0.0000018600000000, -0.0044437800000000, -0.0068160100000000 ] - [ -0.0000029400000000, -0.0012068600000000, -0.0068183000000000 ] - [ 0.0008208800000000, -0.0018450300000000, -0.0014630800000000 ] - [ -0.0050592100000000, -0.0111650900000000, -0.0034256200000000 ] - [ 0.0008064600000000, 0.0017872800000000, 0.0012823500000000 ] - [ -0.0068674100000000, 0.0031922600000000, 0.0075364300000000 ] - [ 0.0068674100000000, 0.0031922600000000, -0.0075364300000000 ] - [ -0.0008064600000000, 0.0017872800000000, -0.0012823500000000 ] - [ 0.0050592100000000, -0.0111650900000000, 0.0034256200000000 ] - [ -0.0008208800000000, -0.0018450300000000, 0.0014630800000000 ] - [ 0.0108877800000000, 0.0670884400000000, -0.0538388900000000 ] - [ -0.0006254200000000, -0.0017088600000000, 0.0006417000000000 ] - [ 0.0000712600000000, -0.0079088300000000, 0.0029799800000000 ] - [ -0.0005179200000000, 0.0016994000000000, -0.0007034200000000 ] - [ 0.0084657700000000, 0.0063688300000000, 0.0029959100000000 ] - [ 0.0008385800000000, 0.0044792400000000, 0.0015053000000000 ] - [ 0.0032279500000000, -0.0051763900000000, -0.0023666800000000 ] - [ -0.0004414600000000, -0.0035630100000000, -0.0012265700000000 ] - [ -0.0014885200000000, -0.0006279800000000, 0.0004661600000000 ] - [ 0.0021573700000000, 0.0009816100000000, -0.0006591300000000 ] - [ -0.0067356100000000, 0.0017960900000000, -0.0010960600000000 ] - [ 0.0009120600000000, -0.0001030400000000, 0.0003924100000000 ] - [ -0.0017830500000000, -0.0124334500000000, -0.0048790800000000 ] - [ -0.0012092000000000, -0.0028493900000000, -0.0011827800000000 ] - [ -0.0134221600000000, 0.0742220600000000, 0.0591168900000000 ] - [ -0.0010988900000000, 0.0028430600000000, 0.0012434000000000 ] - [ 0.0000029400000000, -0.0012068600000000, 0.0068183000000000 ] - [ 0.0000018600000000, -0.0044437800000000, 0.0068160100000000 ] - [ 0.0000013800000000, 0.0019817500000000, -0.0068166100000000 ] - [ -0.0004128200000000, 0.0161572400000000, -0.0069609100000000 ] - [ -0.0068892000000000, 0.0000463000000000, 0.0040435100000000 ] - [ 0.0008094400000000, -0.0013568200000000, -0.0022310500000000 ] - [ -0.0050147600000000, -0.0080009200000000, 0.0000684900000000 ] - [ 0.0008164100000000, 0.0012878800000000, 0.0020499900000000 ] - [ -0.0008164100000000, 0.0012878800000000, -0.0020499900000000 ] - [ 0.0050147600000000, -0.0080009200000000, -0.0000684900000000 ] - [ -0.0008094400000000, -0.0013568200000000, 0.0022310500000000 ] - [ 0.0068892000000000, 0.0000463000000000, -0.0040435100000000 ] - [ -0.0000190800000000, 0.0053048800000000, -0.0000017800000000 ] - [ 0.0000190800000000, 0.0053048800000000, 0.0000017800000000 ] - [ 0.0000050900000000, -0.0057690500000000, 0.0000059600000000 ] - [ -0.0000050900000000, -0.0057690500000000, -0.0000059600000000 ] - [ -0.0016161700000000, 0.0004312600000000, 0.0001763100000000 ] - [ 0.0122164800000000, 0.0073375700000000, 0.0053845500000000 ] - [ -0.0122164800000000, 0.0073375700000000, -0.0053845500000000 ] - [ 0.0016161700000000, 0.0004312600000000, -0.0001763100000000 ] - [ 0.0000000000000000, -0.0248037300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012537200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0117589900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012814100000000, 0.0000000000000000 ] - [ 0.0121319200000000, 0.0073198800000000, 0.0052997600000000 ] - [ -0.0016125900000000, 0.0004368000000000, 0.0001745500000000 ] - [ 0.0016125900000000, 0.0004368000000000, -0.0001745500000000 ] - [ -0.0121319200000000, 0.0073198800000000, -0.0052997600000000 ] - [ 0.0000000000000000, -0.3658769400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013238000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0186009600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017091500000000, 0.0000000000000000 ] - [ -0.0016719100000000, -0.0001121200000000, 0.0000123300000000 ] - [ 0.0263572700000000, 0.0238933100000000, -0.0130836300000000 ] - [ -0.0263572700000000, 0.0238933100000000, 0.0130836300000000 ] - [ 0.0016719100000000, -0.0001121200000000, -0.0000123300000000 ] - [ -0.0000056500000000, 0.0063828400000000, 0.0000020900000000 ] - [ 0.0000056500000000, 0.0063828400000000, -0.0000020900000000 ] - [ 0.0000359800000000, -0.0105483700000000, -0.0000129500000000 ] - [ -0.0000359800000000, -0.0105483700000000, 0.0000129500000000 ] - [ 0.0262345100000000, 0.0238284700000000, -0.0128752500000000 ] - [ -0.0016729500000000, -0.0000936500000000, 0.0000136100000000 ] - [ 0.0016729500000000, -0.0000936500000000, -0.0000136100000000 ] - [ -0.0262345100000000, 0.0238284700000000, 0.0128752500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005163300000000, -0.0018112800000000, 0.0008943600000000 ] - [ -0.0002292300000000, -0.0020642200000000, 0.0006193400000000 ] - [ -0.0040852400000000, 0.0050467300000000, -0.0024994400000000 ] - [ 0.0044929900000000, -0.0005799400000000, 0.0029201400000000 ] - [ -0.0007888400000000, -0.0051039600000000, -0.0043618500000000 ] - [ 0.0011327800000000, 0.0023253100000000, 0.0009924900000000 ] - [ -0.0084095300000000, 0.0521247100000000, 0.0688251200000000 ] - [ 0.0009176600000000, -0.0023231700000000, -0.0008869900000000 ] - [ -0.0084095300000000, -0.0521247100000000, 0.0688251200000000 ] - [ 0.0009176600000000, 0.0023231700000000, -0.0008869900000000 ] - [ -0.0007888400000000, 0.0051039600000000, -0.0043618500000000 ] - [ 0.0011327800000000, -0.0023253100000000, 0.0009924900000000 ] - [ -0.0040852400000000, -0.0050467300000000, -0.0024994400000000 ] - [ 0.0044929900000000, 0.0005799400000000, 0.0029201400000000 ] - [ -0.0005163300000000, 0.0018112800000000, 0.0008943600000000 ] - [ -0.0002292300000000, 0.0020642200000000, 0.0006193400000000 ] - [ 0.0420124500000000, 0.0000000000000000, 0.0419415000000000 ] - [ 0.0015158300000000, 0.0000000000000000, 0.0078685200000000 ] - [ -0.0012485300000000, 0.0000000000000000, -0.0087793100000000 ] - [ 0.0004358500000000, 0.0000000000000000, -0.0069497400000000 ] - [ 0.0003082900000000, -0.0013038200000000, -0.0012055600000000 ] - [ 0.0017143400000000, 0.0018716800000000, 0.0053460100000000 ] - [ 0.0001021700000000, 0.0014454400000000, 0.0007978300000000 ] - [ 0.0020497800000000, 0.0014845200000000, -0.0099162000000000 ] - [ 0.0020639400000000, 0.0016023000000000, -0.0133955300000000 ] - [ 0.0001014100000000, 0.0016932100000000, -0.0027114000000000 ] - [ 0.0017190900000000, -0.0050134600000000, 0.0088525100000000 ] - [ 0.0003082000000000, -0.0018337200000000, 0.0023072900000000 ] - [ -0.0109710600000000, -0.0601487600000000, 0.0734900400000000 ] - [ -0.0008058400000000, -0.0022268100000000, 0.0009984600000000 ] - [ -0.0025062800000000, 0.0096329700000000, -0.0062360300000000 ] - [ -0.0005944500000000, 0.0022255900000000, -0.0008930000000000 ] - [ 0.0062306100000000, 0.0051332800000000, 0.0048324500000000 ] - [ -0.0023289100000000, -0.0004669800000000, -0.0005958300000000 ] - [ 0.0015073600000000, -0.0024996900000000, -0.0012667800000000 ] - [ 0.0012072400000000, -0.0027395700000000, -0.0009890500000000 ] - [ 0.0015073600000000, 0.0024996900000000, -0.0012667800000000 ] - [ 0.0012072400000000, 0.0027395700000000, -0.0009890500000000 ] - [ 0.0062306100000000, -0.0051332800000000, 0.0048324500000000 ] - [ -0.0023289100000000, 0.0004669800000000, -0.0005958300000000 ] - [ -0.0025062800000000, -0.0096329700000000, -0.0062360300000000 ] - [ -0.0005944500000000, -0.0022255900000000, -0.0008930000000000 ] - [ -0.0109710600000000, 0.0601487600000000, 0.0734900400000000 ] - [ -0.0008058400000000, 0.0022268100000000, 0.0009984600000000 ] - [ 0.0004384400000000, 0.0000000000000000, 0.0066864500000000 ] - [ -0.0012213700000000, 0.0000000000000000, 0.0048535300000000 ] - [ 0.0015232900000000, 0.0000000000000000, -0.0057657100000000 ] - [ 0.0427481800000000, 0.0000000000000000, 0.0281330400000000 ] - [ 0.0020639400000000, -0.0016023000000000, -0.0133955300000000 ] - [ 0.0001014100000000, -0.0016932100000000, -0.0027114000000000 ] - [ 0.0017190900000000, 0.0050134600000000, 0.0088525100000000 ] - [ 0.0003082000000000, 0.0018337200000000, 0.0023072900000000 ] - [ 0.0003082900000000, 0.0013038200000000, -0.0012055600000000 ] - [ 0.0017143400000000, -0.0018716800000000, 0.0053460100000000 ] - [ 0.0001021700000000, -0.0014454400000000, 0.0007978300000000 ] - [ 0.0020497800000000, -0.0014845200000000, -0.0099162000000000 ] - [ -0.0016681200000000, 0.0000000000000000, 0.0000242600000000 ] - [ -0.0016637700000000, 0.0000000000000000, 0.0000277600000000 ] - [ -0.0015032700000000, 0.0000000000000000, 0.0022497300000000 ] - [ -0.0014776000000000, 0.0000000000000000, 0.0022373300000000 ] - [ -0.0009499700000000, 0.0004066200000000, 0.0002534100000000 ] - [ 0.0100264600000000, 0.0087388900000000, 0.0033541300000000 ] - [ 0.0099921700000000, -0.0086979600000000, 0.0033741000000000 ] - [ -0.0009444900000000, -0.0004056100000000, 0.0002536300000000 ] - [ 0.0046283700000000, 0.0000000000000000, 0.0388429200000000 ] - [ -0.0001785500000000, 0.0000000000000000, 0.0001370400000000 ] - [ 0.0032713900000000, 0.0000000000000000, -0.0032323700000000 ] - [ -0.0003322600000000, 0.0000000000000000, 0.0000589100000000 ] - [ 0.0099921700000000, 0.0086979600000000, 0.0033741000000000 ] - [ -0.0009444900000000, 0.0004056100000000, 0.0002536300000000 ] - [ -0.0009499700000000, -0.0004066200000000, 0.0002534100000000 ] - [ 0.0100264600000000, -0.0087388900000000, 0.0033541300000000 ] - [ -0.0322102100000000, 0.0000000000000000, -0.4054104800000000 ] - [ -0.0014077600000000, 0.0000000000000000, -0.0010398300000000 ] - [ 0.0038485100000000, 0.0000000000000000, 0.0127730600000000 ] - [ -0.0006652500000000, 0.0000000000000000, 0.0000606900000000 ] - [ 0.0009746100000000, -0.0013374100000000, 0.0002634500000000 ] - [ -0.0247372500000000, -0.0208672100000000, 0.0098667600000000 ] - [ -0.0247761100000000, 0.0210026600000000, 0.0098854800000000 ] - [ 0.0009687100000000, 0.0013300100000000, 0.0002595400000000 ] - [ -0.0003409600000000, 0.0000000000000000, 0.0013357900000000 ] - [ -0.0003463400000000, 0.0000000000000000, 0.0013234200000000 ] - [ 0.0087741200000000, 0.0000000000000000, -0.0121483600000000 ] - [ 0.0087189500000000, 0.0000000000000000, -0.0120858600000000 ] - [ -0.0247761100000000, -0.0210026600000000, 0.0098854800000000 ] - [ 0.0009687100000000, -0.0013300100000000, 0.0002595400000000 ] - [ 0.0009746100000000, 0.0013374100000000, 0.0002634500000000 ] - [ -0.0247372500000000, 0.0208672100000000, 0.0098667600000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0750331000000000, 0.0420688500000000, -0.0149730000000000 ] - [ -0.0054749500000000, -0.0029065100000000, 0.0014121600000000 ] - [ 0.0750331000000000, -0.0420688500000000, 0.0149730000000000 ] - [ -0.0054749500000000, 0.0029065100000000, -0.0014121600000000 ] - [ -0.0026896200000000, 0.0008183600000000, 0.0002807600000000 ] - [ 0.0060924500000000, 0.0118232600000000, 0.0019658200000000 ] - [ -0.0026896200000000, -0.0008183600000000, -0.0002807600000000 ] - [ 0.0060924500000000, -0.0118232600000000, -0.0019658200000000 ] - [ -0.0037536400000000, 0.0016562600000000, -0.0004782200000000 ] - [ 0.0734593500000000, 0.0433995300000000, -0.0156049200000000 ] - [ -0.0037536400000000, -0.0016562600000000, 0.0004782200000000 ] - [ 0.0734593500000000, -0.0433995300000000, 0.0156049200000000 ] - [ 0.0043647600000000, 0.0072790100000000, 0.0000734100000000 ] - [ -0.0044205100000000, -0.0037334500000000, -0.0016086900000000 ] - [ 0.0043647600000000, -0.0072790100000000, -0.0000734100000000 ] - [ -0.0044205100000000, 0.0037334500000000, 0.0016086900000000 ] - [ -0.0092777300000000, 0.0040277000000000, 0.0049437500000000 ] - [ -0.0093369100000000, -0.0040289600000000, 0.0086980300000000 ] - [ -0.0092777300000000, -0.0040277000000000, -0.0049437500000000 ] - [ -0.0093369100000000, 0.0040289600000000, -0.0086980300000000 ] - [ 0.0268094300000000, -0.0016798900000000, -0.0019706800000000 ] - [ -0.0033259600000000, -0.0015701300000000, -0.0017579600000000 ] - [ 0.0268094300000000, 0.0016798900000000, 0.0019706800000000 ] - [ -0.0033259600000000, 0.0015701300000000, 0.0017579600000000 ] - [ -0.0038282400000000, 0.0033007600000000, 0.0019696000000000 ] - [ -0.0038178000000000, -0.0001407500000000, -0.0054478400000000 ] - [ -0.0038282400000000, -0.0033007600000000, -0.0019696000000000 ] - [ -0.0038178000000000, 0.0001407500000000, 0.0054478400000000 ] - [ -0.0029643300000000, -0.0019657100000000, 0.0005271400000000 ] - [ 0.0013048400000000, -0.0028709200000000, 0.0015974700000000 ] - [ -0.0029643300000000, 0.0019657100000000, -0.0005271400000000 ] - [ 0.0013048400000000, 0.0028709200000000, -0.0015974700000000 ] - [ 0.0019292300000000, 0.0027193000000000, -0.0058619300000000 ] - [ -0.0028592600000000, 0.0010349600000000, 0.0003009600000000 ] - [ 0.0019292300000000, -0.0027193000000000, 0.0058619300000000 ] - [ -0.0028592600000000, -0.0010349600000000, -0.0003009600000000 ] - [ 0.0030340800000000, 0.0016742200000000, -0.0002855100000000 ] - [ -0.0012417600000000, 0.0025841900000000, -0.0013623400000000 ] - [ 0.0030340800000000, -0.0016742200000000, 0.0002855100000000 ] - [ -0.0012417600000000, -0.0025841900000000, 0.0013623400000000 ] - [ -0.0045902800000000, -0.0035265500000000, -0.0015976400000000 ] - [ 0.0001794300000000, -0.0018495200000000, -0.0077373400000000 ] - [ -0.0045902800000000, 0.0035265500000000, 0.0015976400000000 ] - [ 0.0001794300000000, 0.0018495200000000, 0.0077373400000000 ] - [ 0.0185812200000000, -0.0000061700000000, 0.0068287400000000 ] - [ -0.0050833000000000, -0.0000028700000000, 0.0068183800000000 ] - [ 0.0185812200000000, 0.0000061700000000, -0.0068287400000000 ] - [ -0.0050833000000000, 0.0000028700000000, -0.0068183800000000 ] - [ -0.0007486800000000, -0.0004209500000000, -0.0006201400000000 ] - [ -0.0007531400000000, -0.0027141200000000, -0.0028982100000000 ] - [ -0.0007486800000000, 0.0004209500000000, 0.0006201400000000 ] - [ -0.0007531400000000, 0.0027141200000000, 0.0028982100000000 ] - [ 0.0044252300000000, 0.0015798700000000, -0.0017552300000000 ] - [ -0.0023310400000000, 0.0015682800000000, -0.0017562000000000 ] - [ 0.0044252300000000, -0.0015798700000000, 0.0017552300000000 ] - [ -0.0023310400000000, -0.0015682800000000, 0.0017562000000000 ] - [ -0.0029813500000000, 0.0076809900000000, 0.0089930000000000 ] - [ 0.0040789300000000, -0.0013003100000000, 0.0002153600000000 ] - [ -0.0029813500000000, -0.0076809900000000, -0.0089930000000000 ] - [ 0.0040789300000000, 0.0013003100000000, -0.0002153600000000 ] - [ -0.0103503400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0048591900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0228544400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0225901400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0040853900000000, -0.0013154600000000, 0.0002161100000000 ] - [ -0.0029417400000000, 0.0076348100000000, 0.0089607400000000 ] - [ 0.0040853900000000, 0.0013154600000000, -0.0002161100000000 ] - [ -0.0029417400000000, -0.0076348100000000, -0.0089607400000000 ] - [ 0.0021541500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0021587200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0039829700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0035312400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0094896200000000, -0.0016841300000000, 0.0009702400000000 ] - [ -0.0021182300000000, 0.0262339000000000, -0.0247317400000000 ] - [ 0.0094896200000000, 0.0016841300000000, -0.0009702400000000 ] - [ -0.0021182300000000, -0.0262339000000000, 0.0247317400000000 ] - [ -0.3855034000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0103207600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0066648700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0066658400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0020500000000000, 0.0263579000000000, -0.0247819300000000 ] - [ 0.0094985800000000, -0.0016604600000000, 0.0009728800000000 ] - [ -0.0020500000000000, -0.0263579000000000, 0.0247819300000000 ] - [ 0.0094985800000000, 0.0016604600000000, -0.0009728800000000 ] - [ 0.0006143800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006204900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0223539600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0076021100000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0429715200000000, 0.0494543300000000, -0.0142935600000000 ] - [ 0.0001940900000000, -0.0009052200000000, 0.0004897500000000 ] - [ -0.0422778200000000, 0.0525919400000000, -0.0154407100000000 ] - [ -0.0019219000000000, 0.0036477000000000, -0.0013971700000000 ] - [ -0.0003750800000000, 0.0007022500000000, 0.0002328800000000 ] - [ 0.0008206800000000, -0.0082245100000000, -0.0006689400000000 ] - [ 0.0021035100000000, -0.0038546500000000, -0.0016572100000000 ] - [ 0.0009417900000000, -0.0127790200000000, -0.0025738600000000 ] - [ 0.0019219000000000, 0.0036477000000000, -0.0013971700000000 ] - [ 0.0422778200000000, 0.0525919400000000, -0.0154407100000000 ] - [ -0.0001940900000000, -0.0009052200000000, 0.0004897500000000 ] - [ -0.0429715200000000, 0.0494543300000000, -0.0142935600000000 ] - [ -0.0009417900000000, -0.0127790200000000, -0.0025738600000000 ] - [ -0.0021035100000000, -0.0038546500000000, -0.0016572100000000 ] - [ -0.0008206800000000, -0.0082245100000000, -0.0006689400000000 ] - [ 0.0003750800000000, 0.0007022500000000, 0.0002328800000000 ] - [ 0.0085638500000000, -0.0036111500000000, 0.0086172600000000 ] - [ -0.0085638500000000, -0.0036111500000000, 0.0086172600000000 ] - [ -0.0085256700000000, -0.0035848500000000, -0.0050274500000000 ] - [ 0.0085256700000000, -0.0035848500000000, -0.0050274500000000 ] - [ 0.0000000000000000, 0.0388812900000000, 0.0270965000000000 ] - [ 0.0000000000000000, -0.0008063500000000, -0.0017883000000000 ] - [ 0.0000000000000000, 0.0414982000000000, 0.0293001200000000 ] - [ 0.0000000000000000, 0.0023330600000000, 0.0017281400000000 ] - [ 0.0025137800000000, 0.0061244000000000, -0.0027813300000000 ] - [ -0.0025137800000000, 0.0061244000000000, -0.0027813300000000 ] - [ -0.0025149600000000, 0.0029978300000000, 0.0007428600000000 ] - [ 0.0025149600000000, 0.0029978300000000, 0.0007428600000000 ] - [ -0.0002382300000000, -0.0036241600000000, 0.0017111900000000 ] - [ -0.0030623800000000, -0.0062429900000000, 0.0024208500000000 ] - [ -0.0014947100000000, 0.0009347700000000, -0.0001822000000000 ] - [ 0.0013558600000000, -0.0016920400000000, 0.0005391500000000 ] - [ 0.0050453600000000, 0.0079569000000000, 0.0064942400000000 ] - [ -0.0000092200000000, 0.0035306700000000, 0.0011288700000000 ] - [ -0.0033233400000000, 0.0034089400000000, 0.0046050600000000 ] - [ 0.0017336800000000, -0.0010194900000000, -0.0007590100000000 ] - [ -0.0013558600000000, -0.0016920400000000, 0.0005391500000000 ] - [ 0.0014947100000000, 0.0009347700000000, -0.0001822000000000 ] - [ 0.0030623800000000, -0.0062429900000000, 0.0024208500000000 ] - [ 0.0002382300000000, -0.0036241600000000, 0.0017111900000000 ] - [ -0.0017336800000000, -0.0010194900000000, -0.0007590100000000 ] - [ 0.0033233400000000, 0.0034089400000000, 0.0046050600000000 ] - [ 0.0000092200000000, 0.0035306700000000, 0.0011288700000000 ] - [ -0.0050453600000000, 0.0079569000000000, 0.0064942400000000 ] - [ 0.0000000000000000, -0.0056426900000000, 0.0137476100000000 ] - [ 0.0000000000000000, -0.0000611500000000, 0.0068583800000000 ] - [ 0.0000000000000000, -0.0056295900000000, 0.0000549800000000 ] - [ 0.0000000000000000, -0.0000632900000000, -0.0067783500000000 ] - [ 0.0008087800000000, -0.0039101600000000, -0.0021817300000000 ] - [ -0.0008087800000000, -0.0039101600000000, -0.0021817300000000 ] - [ -0.0008205800000000, -0.0007673900000000, 0.0013335400000000 ] - [ 0.0008205800000000, -0.0007673900000000, 0.0013335400000000 ] - [ 0.0000000000000000, -0.0056362200000000, -0.0017539400000000 ] - [ 0.0000000000000000, 0.0008458200000000, -0.0018570400000000 ] - [ 0.0000000000000000, -0.0087661300000000, 0.0017707900000000 ] - [ 0.0000000000000000, -0.0022928300000000, 0.0016552600000000 ] - [ 0.0089356500000000, 0.0100834900000000, 0.0086854500000000 ] - [ -0.0008650600000000, 0.0002608900000000, 0.0001503000000000 ] - [ -0.0088509100000000, 0.0100542100000000, 0.0086086200000000 ] - [ 0.0008600700000000, 0.0002654500000000, 0.0001515600000000 ] - [ 0.0000000000000000, -0.0165557500000000, 0.0087158500000000 ] - [ 0.0000000000000000, -0.0012555200000000, -0.0000481400000000 ] - [ -0.0000073200000000, -0.0137146800000000, 0.0031058900000000 ] - [ 0.0000073200000000, -0.0137146800000000, 0.0031058900000000 ] - [ -0.0008600700000000, 0.0002654500000000, 0.0001515600000000 ] - [ 0.0088509100000000, 0.0100542100000000, 0.0086086200000000 ] - [ 0.0008650600000000, 0.0002608900000000, 0.0001503000000000 ] - [ -0.0089356500000000, 0.0100834900000000, 0.0086854500000000 ] - [ 0.0000131900000000, 0.0044175200000000, 0.0005385200000000 ] - [ -0.0000131900000000, 0.0044175200000000, 0.0005385200000000 ] - [ 0.0000000000000000, 0.0071018700000000, 0.0006322100000000 ] - [ 0.0000000000000000, 0.0011515100000000, -0.0000797400000000 ] - [ -0.0046197000000000, -0.0001010800000000, -0.0013364900000000 ] - [ 0.0159550100000000, 0.0238406900000000, -0.0208826700000000 ] - [ 0.0046172300000000, -0.0001045600000000, -0.0013309400000000 ] - [ -0.0161688700000000, 0.0238821500000000, -0.0209875700000000 ] - [ 0.0000000000000000, -0.3373813800000000, 0.0037425400000000 ] - [ 0.0000000000000000, -0.0033964100000000, 0.0003451600000000 ] - [ 0.0000033000000000, -0.0116875900000000, 0.0001007900000000 ] - [ -0.0000033000000000, -0.0116875900000000, 0.0001007900000000 ] - [ 0.0161688700000000, 0.0238821500000000, -0.0209875700000000 ] - [ -0.0046172300000000, -0.0001045600000000, -0.0013309400000000 ] - [ -0.0159550100000000, 0.0238406900000000, -0.0208826700000000 ] - [ 0.0046197000000000, -0.0001010800000000, -0.0013364900000000 ] - [ 0.0000161800000000, 0.0069341800000000, -0.0000293400000000 ] - [ -0.0000161800000000, 0.0069341800000000, -0.0000293400000000 ] - [ 0.0000000000000000, 0.0218523700000000, -0.0000540600000000 ] - [ 0.0000000000000000, 0.0032936600000000, 0.0004588100000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0148840700000000, -0.0158042000000000, 0.0232572400000000 ] - [ -0.0010966400000000, -0.0024353300000000, 0.0012828600000000 ] - [ 0.0130507400000000, -0.0111347000000000, 0.0210916600000000 ] - [ -0.0006319700000000, 0.0021187900000000, -0.0006041000000000 ] - [ 0.0011315800000000, 0.0025532300000000, 0.0012363300000000 ] - [ 0.0009276200000000, 0.0052609100000000, 0.0034596900000000 ] - [ 0.0005977700000000, -0.0019995700000000, -0.0006519700000000 ] - [ 0.0008051200000000, 0.0006854400000000, 0.0015760500000000 ] - [ 0.0006319700000000, 0.0021187900000000, -0.0006041000000000 ] - [ -0.0130507400000000, -0.0111347000000000, 0.0210916600000000 ] - [ 0.0010966400000000, -0.0024353300000000, 0.0012828600000000 ] - [ 0.0148840700000000, -0.0158042000000000, 0.0232572400000000 ] - [ -0.0008051200000000, 0.0006854400000000, 0.0015760500000000 ] - [ -0.0005977700000000, -0.0019995700000000, -0.0006519700000000 ] - [ -0.0009276200000000, 0.0052609100000000, 0.0034596900000000 ] - [ -0.0011315800000000, 0.0025532300000000, 0.0012363300000000 ] - [ -0.0021697000000000, 0.0010325700000000, 0.0056979500000000 ] - [ 0.0021697000000000, 0.0010325700000000, 0.0056979500000000 ] - [ 0.0022011500000000, 0.0010417200000000, -0.0079537800000000 ] - [ -0.0022011500000000, 0.0010417200000000, -0.0079537800000000 ] - [ 0.0000000000000000, 0.0234049500000000, 0.0716703400000000 ] - [ 0.0000000000000000, -0.0015298600000000, -0.0016359200000000 ] - [ 0.0000000000000000, 0.0235806500000000, 0.0704562400000000 ] - [ 0.0000000000000000, 0.0016099800000000, 0.0018785700000000 ] - [ 0.0026224000000000, 0.0015895700000000, -0.0020398600000000 ] - [ -0.0026224000000000, 0.0015895700000000, -0.0020398600000000 ] - [ -0.0026338900000000, -0.0015554900000000, 0.0015004300000000 ] - [ 0.0026338900000000, -0.0015554900000000, 0.0015004300000000 ] - [ -0.0010385800000000, -0.0020303700000000, 0.0004450100000000 ] - [ -0.0004369600000000, -0.0019585200000000, -0.0006718700000000 ] - [ -0.0006890700000000, 0.0025211500000000, -0.0014433100000000 ] - [ -0.0012810700000000, 0.0025831200000000, -0.0025571700000000 ] - [ 0.0000683200000000, 0.0034098700000000, -0.0047479000000000 ] - [ 0.0010888100000000, 0.0021829700000000, 0.0001891900000000 ] - [ 0.0016204400000000, -0.0011747700000000, -0.0066404200000000 ] - [ 0.0006444000000000, -0.0023714900000000, -0.0017016200000000 ] - [ 0.0012810700000000, 0.0025831200000000, -0.0025571700000000 ] - [ 0.0006890700000000, 0.0025211500000000, -0.0014433100000000 ] - [ 0.0004369600000000, -0.0019585200000000, -0.0006718700000000 ] - [ 0.0010385800000000, -0.0020303700000000, 0.0004450100000000 ] - [ -0.0006444000000000, -0.0023714900000000, -0.0017016200000000 ] - [ -0.0016204400000000, -0.0011747700000000, -0.0066404200000000 ] - [ -0.0010888100000000, 0.0021829700000000, 0.0001891900000000 ] - [ -0.0000683200000000, 0.0034098700000000, -0.0047479000000000 ] - [ 0.0000000000000000, 0.0042950400000000, 0.0019906500000000 ] - [ 0.0000000000000000, -0.0000059500000000, 0.0068186500000000 ] - [ 0.0000000000000000, 0.0043576000000000, -0.0116368900000000 ] - [ 0.0000000000000000, -0.0000041600000000, -0.0068176100000000 ] - [ 0.0002115200000000, -0.0017440500000000, -0.0018884600000000 ] - [ -0.0002115200000000, -0.0017440500000000, -0.0018884600000000 ] - [ -0.0002100800000000, 0.0013973700000000, 0.0016351700000000 ] - [ 0.0002100800000000, 0.0013973700000000, 0.0016351700000000 ] - [ 0.0000000000000000, -0.0050555900000000, 0.0003013500000000 ] - [ 0.0000000000000000, 0.0015992400000000, -0.0016953200000000 ] - [ 0.0000000000000000, -0.0081808900000000, 0.0038050200000000 ] - [ 0.0000000000000000, -0.0015396700000000, 0.0018188600000000 ] - [ 0.0126159600000000, 0.0097892300000000, -0.0019698700000000 ] - [ -0.0005248400000000, 0.0003767500000000, -0.0000604700000000 ] - [ -0.0125524600000000, 0.0097011500000000, -0.0019602900000000 ] - [ 0.0005211900000000, 0.0003713700000000, -0.0000586700000000 ] - [ 0.0000000000000000, -0.0092074000000000, 0.0404244000000000 ] - [ 0.0000000000000000, 0.0000983100000000, 0.0002547600000000 ] - [ -0.0000209400000000, 0.0037056400000000, -0.0045610600000000 ] - [ 0.0000209400000000, 0.0037056400000000, -0.0045610600000000 ] - [ -0.0005211900000000, 0.0003713700000000, -0.0000586700000000 ] - [ 0.0125524600000000, 0.0097011500000000, -0.0019602900000000 ] - [ 0.0005248400000000, 0.0003767500000000, -0.0000604700000000 ] - [ -0.0126159600000000, 0.0097892300000000, -0.0019698700000000 ] - [ -0.0000024100000000, -0.0005845000000000, -0.0008192300000000 ] - [ 0.0000024100000000, -0.0005845000000000, -0.0008192300000000 ] - [ 0.0000000000000000, 0.0001771500000000, 0.0043202100000000 ] - [ 0.0000000000000000, -0.0001424400000000, 0.0001198800000000 ] - [ 0.0012780200000000, 0.0000093400000000, 0.0002571600000000 ] - [ -0.0099763100000000, -0.0130237500000000, 0.0098292900000000 ] - [ -0.0012822300000000, 0.0000162900000000, 0.0002659900000000 ] - [ 0.0099019500000000, -0.0129348300000000, 0.0099226600000000 ] - [ 0.0000000000000000, 0.0036723300000000, -0.2656870000000000 ] - [ 0.0000000000000000, 0.0003455300000000, -0.0006145500000000 ] - [ 0.0000356900000000, -0.0001005500000000, 0.0050599400000000 ] - [ -0.0000356900000000, -0.0001005500000000, 0.0050599400000000 ] - [ -0.0099019500000000, -0.0129348300000000, 0.0099226600000000 ] - [ 0.0012822300000000, 0.0000162900000000, 0.0002659900000000 ] - [ 0.0099763100000000, -0.0130237500000000, 0.0098292900000000 ] - [ -0.0012780200000000, 0.0000093400000000, 0.0002571600000000 ] - [ 0.0000074600000000, -0.0000294200000000, 0.0013067200000000 ] - [ -0.0000074600000000, -0.0000294200000000, 0.0013067200000000 ] - [ 0.0000000000000000, 0.0000535800000000, -0.0108297300000000 ] - [ 0.0000000000000000, -0.0004583000000000, -0.0003085200000000 ]