# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9215cdae-ac5d-46b0-a79a-bb448eee375a/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 Nb2Bi2PbO9 / Cmc2_1 (36) / materials id 583454](https://mdr.nims.go.jp/datasets/fcb051db-d6c3-43d8-b949-d0c9f339f335) ## 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: "Cmc2_1" number: 36 Hall_symbol: "C 2c -2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.486517640000001, -2.792640310000000, 0.000000000000000 ] # a - [ 12.486517640000001, 2.792640310000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.602283300000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.163104320000000, 0.666359280000000, 0.228781830000000 ] mass: 92.906380 - symbol: Nb # 2 coordinates: [ 0.333640720000000, 0.836895680000000, 0.228781830000000 ] mass: 92.906380 - symbol: Nb # 3 coordinates: [ 0.666359280000000, 0.163104320000000, 0.728781830000000 ] mass: 92.906380 - symbol: Nb # 4 coordinates: [ 0.836895680000000, 0.333640720000000, 0.728781830000000 ] mass: 92.906380 - symbol: Bi # 5 coordinates: [ 0.918635780000000, 0.482157620000000, 0.304395810000000 ] mass: 208.980400 - symbol: Bi # 6 coordinates: [ 0.482157620000000, 0.918635780000000, 0.804395810000000 ] mass: 208.980400 - symbol: Bi # 7 coordinates: [ 0.081364220000000, 0.517842380000000, 0.804395810000000 ] mass: 208.980400 - symbol: Bi # 8 coordinates: [ 0.517842380000000, 0.081364220000000, 0.304395810000000 ] mass: 208.980400 - symbol: Pb # 9 coordinates: [ 0.248187410000000, 0.751812590000000, 0.749470290000000 ] mass: 207.200000 - symbol: Pb # 10 coordinates: [ 0.751812590000000, 0.248187410000000, 0.249470290000000 ] mass: 207.200000 - symbol: O # 11 coordinates: [ 0.165223690000000, 0.517342950000000, 0.196889610000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.546376330000000, 0.592041670000000, 0.474838890000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.124136240000000, 0.052980720000000, 0.921531550000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.834776310000000, 0.482657050000000, 0.696889610000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.234816000000000, 0.260948940000000, 0.522652770000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.801672740000000, 0.198327260000000, 0.688348870000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.517342950000000, 0.165223690000000, 0.696889610000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.052980720000000, 0.124136240000000, 0.421531550000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.407958330000000, 0.453623670000000, 0.474838890000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.765184000000000, 0.739051060000000, 0.022652770000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.947019280000000, 0.875863760000000, 0.921531550000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.260948940000000, 0.234816000000000, 0.022652770000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.482657050000000, 0.834776310000000, 0.196889610000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.739051060000000, 0.765184000000000, 0.522652770000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.875863760000000, 0.947019280000000, 0.421531550000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.453623670000000, 0.407958330000000, 0.974838890000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.198327260000000, 0.801672740000000, 0.188348870000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.592041670000000, 0.546376330000000, 0.974838890000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.040043190136397, -0.179042033522749, 0.000000000000000 ] # a* - [ 0.040043190136397, 0.179042033522749, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.178498648934801 ] # c*unit_cell: lattice: - [ 24.973035280000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.585280620000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.602283300000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.414731800000000, 0.251627480000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.085268200000000, 0.751627480000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.414731800000000, 0.748372520000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.085268200000000, 0.248372520000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.914731800000000, 0.751627480000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 6 coordinates: [ 0.585268200000000, 0.251627480000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 7 coordinates: [ 0.914731800000000, 0.248372520000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 8 coordinates: [ 0.585268200000000, 0.748372520000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 4 - symbol: Bi # 9 coordinates: [ 0.200396700000000, 0.281760920000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 9 - symbol: Bi # 10 coordinates: [ 0.200396700000000, 0.718239080000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 11 coordinates: [ 0.299603300000000, 0.218239080000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 11 - symbol: Bi # 12 coordinates: [ 0.299603300000000, 0.781760920000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 12 - symbol: Bi # 13 coordinates: [ 0.700396700000000, 0.781760920000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 9 - symbol: Bi # 14 coordinates: [ 0.700396700000000, 0.218239080000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 15 coordinates: [ 0.799603300000000, 0.718239080000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 11 - symbol: Bi # 16 coordinates: [ 0.799603300000000, 0.281760920000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 12 - symbol: Pb # 17 coordinates: [ 0.000000000000000, 0.751812590000000, 0.749470290000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.500000000000000, 0.748187410000000, 0.249470290000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 19 coordinates: [ 0.500000000000000, 0.251812590000000, 0.749470290000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 20 coordinates: [ 0.000000000000000, 0.248187410000000, 0.249470290000000 ] mass: 207.200000 reduced_to: 18 - symbol: O # 21 coordinates: [ 0.341283320000000, 0.176059630000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.069209000000000, 0.522832670000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.088558480000000, 0.964422240000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.158716680000000, 0.323940370000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.247882470000000, 0.013066470000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.500000000000000, 0.698327260000000, 0.688348870000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.341283320000000, 0.823940370000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.088558480000000, 0.035577760000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.430791000000000, 0.022832670000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.252117530000000, 0.486933530000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.411441520000000, 0.464422240000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.247882470000000, 0.986933530000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.158716680000000, 0.676059630000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.252117530000000, 0.513066470000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.411441520000000, 0.535577760000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.430791000000000, 0.977167330000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.801672740000000, 0.188348870000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.069209000000000, 0.477167330000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.841283320000000, 0.676059630000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 40 coordinates: [ 0.569209000000000, 0.022832670000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 41 coordinates: [ 0.588558480000000, 0.464422240000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 42 coordinates: [ 0.658716680000000, 0.823940370000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 43 coordinates: [ 0.747882470000000, 0.513066470000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 44 coordinates: [ 0.000000000000000, 0.198327260000000, 0.688348870000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 45 coordinates: [ 0.841283320000000, 0.323940370000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 46 coordinates: [ 0.588558480000000, 0.535577760000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 47 coordinates: [ 0.930791000000000, 0.522832670000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 48 coordinates: [ 0.752117530000000, 0.986933530000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 49 coordinates: [ 0.911441520000000, 0.964422240000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 50 coordinates: [ 0.747882470000000, 0.486933530000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 51 coordinates: [ 0.658716680000000, 0.176059630000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 52 coordinates: [ 0.752117530000000, 0.013066470000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 53 coordinates: [ 0.911441520000000, 0.035577760000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 54 coordinates: [ 0.930791000000000, 0.477167330000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 55 coordinates: [ 0.500000000000000, 0.301672740000000, 0.188348870000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 56 coordinates: [ 0.569209000000000, 0.977167330000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 38supercell: lattice: - [ 24.973035280000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.170561240000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.602283300000000 ] # c points: - symbol: Nb # 1 coordinates: [ 0.414731800000000, 0.125813740000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.414731800000000, 0.625813740000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 3 coordinates: [ 0.085268200000000, 0.375813740000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.085268200000000, 0.875813740000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 5 coordinates: [ 0.414731800000000, 0.374186260000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.414731800000000, 0.874186260000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 7 coordinates: [ 0.085268200000000, 0.124186260000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.085268200000000, 0.624186260000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 9 coordinates: [ 0.914731800000000, 0.375813740000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 10 coordinates: [ 0.914731800000000, 0.875813740000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 11 coordinates: [ 0.585268200000000, 0.125813740000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 12 coordinates: [ 0.585268200000000, 0.625813740000000, 0.228781830000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 13 coordinates: [ 0.914731800000000, 0.124186260000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 14 coordinates: [ 0.914731800000000, 0.624186260000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 15 coordinates: [ 0.585268200000000, 0.374186260000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 16 coordinates: [ 0.585268200000000, 0.874186260000000, 0.728781830000000 ] mass: 92.906380 reduced_to: 7 - symbol: Bi # 17 coordinates: [ 0.200396700000000, 0.140880460000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 18 coordinates: [ 0.200396700000000, 0.640880460000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 19 coordinates: [ 0.200396700000000, 0.359119540000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.200396700000000, 0.859119540000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 21 coordinates: [ 0.299603300000000, 0.109119540000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 21 - symbol: Bi # 22 coordinates: [ 0.299603300000000, 0.609119540000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 21 - symbol: Bi # 23 coordinates: [ 0.299603300000000, 0.390880460000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 23 - symbol: Bi # 24 coordinates: [ 0.299603300000000, 0.890880460000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 23 - symbol: Bi # 25 coordinates: [ 0.700396700000000, 0.390880460000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 26 coordinates: [ 0.700396700000000, 0.890880460000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 27 coordinates: [ 0.700396700000000, 0.109119540000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 28 coordinates: [ 0.700396700000000, 0.609119540000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 29 coordinates: [ 0.799603300000000, 0.359119540000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 21 - symbol: Bi # 30 coordinates: [ 0.799603300000000, 0.859119540000000, 0.804395810000000 ] mass: 208.980400 reduced_to: 21 - symbol: Bi # 31 coordinates: [ 0.799603300000000, 0.140880460000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 23 - symbol: Bi # 32 coordinates: [ 0.799603300000000, 0.640880460000000, 0.304395810000000 ] mass: 208.980400 reduced_to: 23 - symbol: Pb # 33 coordinates: [ 0.000000000000000, 0.375906295000000, 0.749470290000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 34 coordinates: [ 0.000000000000000, 0.875906295000000, 0.749470290000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 35 coordinates: [ 0.500000000000000, 0.374093705000000, 0.249470290000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 36 coordinates: [ 0.500000000000000, 0.874093705000000, 0.249470290000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 37 coordinates: [ 0.500000000000000, 0.125906295000000, 0.749470290000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 38 coordinates: [ 0.500000000000000, 0.625906295000000, 0.749470290000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 39 coordinates: [ 0.000000000000000, 0.124093705000000, 0.249470290000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 40 coordinates: [ 0.000000000000000, 0.624093705000000, 0.249470290000000 ] mass: 207.200000 reduced_to: 35 - symbol: O # 41 coordinates: [ 0.341283320000000, 0.088029815000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.341283320000000, 0.588029815000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.069209000000000, 0.261416335000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.069209000000000, 0.761416335000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.088558480000000, 0.482211120000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.088558480000000, 0.982211120000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.158716680000000, 0.161970185000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.158716680000000, 0.661970185000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.247882470000000, 0.006533235000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.247882470000000, 0.506533235000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.349163630000000, 0.688348870000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.849163630000000, 0.688348870000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.341283320000000, 0.411970185000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.341283320000000, 0.911970185000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.088558480000000, 0.017788880000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.088558480000000, 0.517788880000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.430791000000000, 0.011416335000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.430791000000000, 0.511416335000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.252117530000000, 0.243466765000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.252117530000000, 0.743466765000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.411441520000000, 0.232211120000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.411441520000000, 0.732211120000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.247882470000000, 0.493466765000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.247882470000000, 0.993466765000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.158716680000000, 0.338029815000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.158716680000000, 0.838029815000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.252117530000000, 0.256533235000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.252117530000000, 0.756533235000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.411441520000000, 0.267788880000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.411441520000000, 0.767788880000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.430791000000000, 0.488583665000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.430791000000000, 0.988583665000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.000000000000000, 0.400836370000000, 0.188348870000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.000000000000000, 0.900836370000000, 0.188348870000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.069209000000000, 0.238583665000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.069209000000000, 0.738583665000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.841283320000000, 0.338029815000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 78 coordinates: [ 0.841283320000000, 0.838029815000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 79 coordinates: [ 0.569209000000000, 0.011416335000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 80 coordinates: [ 0.569209000000000, 0.511416335000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 81 coordinates: [ 0.588558480000000, 0.232211120000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 82 coordinates: [ 0.588558480000000, 0.732211120000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 83 coordinates: [ 0.658716680000000, 0.411970185000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 84 coordinates: [ 0.658716680000000, 0.911970185000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 85 coordinates: [ 0.747882470000000, 0.256533235000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 86 coordinates: [ 0.747882470000000, 0.756533235000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.099163630000000, 0.688348870000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.599163630000000, 0.688348870000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 89 coordinates: [ 0.841283320000000, 0.161970185000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 90 coordinates: [ 0.841283320000000, 0.661970185000000, 0.696889610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 91 coordinates: [ 0.588558480000000, 0.267788880000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 92 coordinates: [ 0.588558480000000, 0.767788880000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 93 coordinates: [ 0.930791000000000, 0.261416335000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 94 coordinates: [ 0.930791000000000, 0.761416335000000, 0.474838890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 95 coordinates: [ 0.752117530000000, 0.493466765000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 96 coordinates: [ 0.752117530000000, 0.993466765000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 97 coordinates: [ 0.911441520000000, 0.482211120000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 98 coordinates: [ 0.911441520000000, 0.982211120000000, 0.921531550000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 99 coordinates: [ 0.747882470000000, 0.243466765000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 100 coordinates: [ 0.747882470000000, 0.743466765000000, 0.022652770000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 101 coordinates: [ 0.658716680000000, 0.088029815000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 102 coordinates: [ 0.658716680000000, 0.588029815000000, 0.196889610000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 103 coordinates: [ 0.752117530000000, 0.006533235000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 104 coordinates: [ 0.752117530000000, 0.506533235000000, 0.522652770000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 105 coordinates: [ 0.911441520000000, 0.017788880000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 106 coordinates: [ 0.911441520000000, 0.517788880000000, 0.421531550000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 107 coordinates: [ 0.930791000000000, 0.238583665000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 108 coordinates: [ 0.930791000000000, 0.738583665000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 109 coordinates: [ 0.500000000000000, 0.150836370000000, 0.188348870000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 110 coordinates: [ 0.500000000000000, 0.650836370000000, 0.188348870000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 111 coordinates: [ 0.569209000000000, 0.488583665000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 112 coordinates: [ 0.569209000000000, 0.988583665000000, 0.974838890000000 ] mass: 15.999400 reduced_to: 75displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2933614300000000, -0.0083791800000000, -0.0162350800000000 ] - [ -0.0188082900000000, -0.0027401600000000, -0.0026279500000000 ] - [ 0.0095785100000000, -0.0007962100000000, -0.0010948600000000 ] - [ 0.0095811600000000, -0.0000860100000000, -0.0010434300000000 ] - [ -0.0253266200000000, -0.0085658900000000, -0.0002375000000000 ] - [ -0.0310153500000000, -0.0114317200000000, 0.0004322900000000 ] - [ 0.0099608300000000, 0.0004115300000000, -0.0010997400000000 ] - [ 0.0091131300000000, 0.0004482300000000, -0.0009402100000000 ] - [ 0.0088421500000000, 0.0005812200000000, 0.0009588200000000 ] - [ 0.0088425500000000, 0.0005526800000000, 0.0009507500000000 ] - [ 0.0536834300000000, -0.0073097100000000, -0.0019915300000000 ] - [ -0.0003581500000000, 0.0010891400000000, -0.0005003400000000 ] - [ 0.0089079500000000, -0.0005501900000000, 0.0009586300000000 ] - [ 0.0087875500000000, -0.0005833000000000, 0.0009392300000000 ] - [ 0.0005227600000000, 0.0119928100000000, 0.0013766100000000 ] - [ 0.0012487400000000, -0.0129150100000000, -0.0010371900000000 ] - [ 0.0118806800000000, -0.0041843100000000, -0.0015889800000000 ] - [ 0.0033245900000000, 0.0017264100000000, 0.0004763400000000 ] - [ 0.0044593100000000, -0.0038759600000000, -0.0014534900000000 ] - [ 0.0057728000000000, 0.0063832800000000, -0.0022820900000000 ] - [ 0.0240452700000000, 0.0022334800000000, 0.0293444800000000 ] - [ -0.0097963600000000, 0.0040351000000000, -0.0023369800000000 ] - [ -0.0051142100000000, -0.0156845300000000, -0.0029705900000000 ] - [ 0.0132964100000000, 0.0356796700000000, -0.0143520900000000 ] - [ 0.0057258900000000, 0.0006038200000000, -0.0013289100000000 ] - [ 0.0066031300000000, -0.0042427200000000, -0.0000834600000000 ] - [ 0.0078186300000000, 0.0013244100000000, -0.0027955100000000 ] - [ 0.0045456100000000, 0.0014286200000000, -0.0002726600000000 ] - [ 0.0050883100000000, -0.0004986700000000, 0.0004460700000000 ] - [ 0.0052273900000000, -0.0015852800000000, 0.0004567900000000 ] - [ 0.0056890200000000, 0.0013345100000000, 0.0004908600000000 ] - [ 0.0048532700000000, 0.0006828700000000, 0.0002741200000000 ] - [ 0.0038218500000000, 0.0001171500000000, -0.0000294800000000 ] - [ 0.0038582700000000, 0.0002034400000000, -0.0000330100000000 ] - [ -0.0049767800000000, 0.0272584700000000, 0.0033151600000000 ] - [ 0.0005311400000000, -0.0208644700000000, 0.0002059100000000 ] - [ 0.0017017600000000, 0.0007261700000000, -0.0118586200000000 ] - [ -0.0057567700000000, 0.0000788600000000, -0.0000018700000000 ] - [ 0.0038894200000000, -0.0001540200000000, -0.0000298000000000 ] - [ 0.0037770700000000, -0.0001660700000000, -0.0000365600000000 ] - [ 0.1595378500000000, 0.0236672500000000, 0.0011803200000000 ] - [ 0.0125291300000000, 0.0046306400000000, 0.0021459400000000 ] - [ -0.0024095100000000, -0.0002450800000000, 0.0006818600000000 ] - [ -0.0023759500000000, -0.0004343000000000, 0.0007904400000000 ] - [ -0.0022213300000000, -0.0004211900000000, 0.0001231200000000 ] - [ -0.0022314500000000, -0.0007042400000000, 0.0002500100000000 ] - [ -0.0065136500000000, -0.0013071600000000, 0.0018723300000000 ] - [ -0.0062898800000000, -0.0035276800000000, 0.0006231100000000 ] - [ -0.0081124100000000, -0.0064564000000000, -0.0017122300000000 ] - [ 0.0013702000000000, 0.0021341800000000, 0.0012743400000000 ] - [ 0.0116552000000000, -0.0032359900000000, -0.0014874800000000 ] - [ 0.0092722900000000, 0.0032915100000000, -0.0014448300000000 ] - [ 0.0111705500000000, -0.0026974400000000, 0.0025876600000000 ] - [ 0.0222461600000000, -0.0070143900000000, 0.0028077700000000 ] - [ -0.0022963800000000, 0.0004678900000000, 0.0001321500000000 ] - [ -0.0020719400000000, 0.0007387000000000, 0.0001333100000000 ] - [ 0.0230641300000000, -0.0162464400000000, 0.0228829300000000 ] - [ 0.0069827700000000, 0.0001824700000000, -0.0009068800000000 ] - [ -0.0057280100000000, 0.0056419900000000, -0.0005701300000000 ] - [ -0.0006016500000000, -0.0050657200000000, -0.0027477700000000 ] - [ 0.0191551800000000, 0.0079957300000000, -0.0090756100000000 ] - [ 0.0047824500000000, 0.0021016100000000, -0.0007996300000000 ] - [ 0.0018199100000000, 0.0011070000000000, -0.0004437000000000 ] - [ -0.0072121100000000, -0.0063974800000000, -0.0014125200000000 ] - [ -0.0066536900000000, 0.0032297900000000, 0.0012275200000000 ] - [ -0.0060120000000000, 0.0008017100000000, 0.0019392500000000 ] - [ -0.0047889300000000, 0.0086165500000000, -0.0022937700000000 ] - [ -0.0052851800000000, -0.0071345100000000, 0.0063853400000000 ] - [ 0.0247055900000000, -0.0021108000000000, -0.0028541800000000 ] - [ 0.0060684900000000, 0.0042164300000000, 0.0018693900000000 ] - [ 0.0071728300000000, 0.0032225900000000, 0.0043727000000000 ] - [ 0.0209748500000000, -0.0046929100000000, -0.0071432700000000 ] - [ -0.0059588300000000, -0.0005789300000000, 0.0002481700000000 ] - [ -0.0058855600000000, -0.0006668700000000, 0.0002773800000000 ] - [ -0.0024401800000000, 0.0004280700000000, 0.0008136100000000 ] - [ -0.0023196200000000, 0.0002019200000000, 0.0006602000000000 ] - [ -0.0058752400000000, -0.0013101500000000, -0.0011123900000000 ] - [ -0.0058335500000000, -0.0010602000000000, -0.0011912900000000 ] - [ -0.0046100400000000, 0.0088562400000000, -0.0055497400000000 ] - [ -0.0004347400000000, -0.0034110700000000, 0.0002455800000000 ] - [ -0.0052255000000000, -0.0075827800000000, 0.0073839100000000 ] - [ 0.0006695400000000, 0.0031338800000000, -0.0010416600000000 ] - [ -0.0052099700000000, -0.0031271600000000, 0.0004871200000000 ] - [ -0.0041756300000000, -0.0000577400000000, 0.0004590400000000 ] - [ -0.0031858500000000, 0.0000027800000000, -0.0001501700000000 ] - [ -0.0031725900000000, 0.0014207000000000, -0.0009065500000000 ] - [ -0.0060045200000000, 0.0006247000000000, 0.0002660200000000 ] - [ -0.0058624000000000, 0.0005991200000000, 0.0002278500000000 ] - [ -0.0058675400000000, 0.0010940100000000, -0.0012063900000000 ] - [ -0.0058534800000000, 0.0013448100000000, -0.0010615000000000 ] - [ -0.0044483800000000, -0.0079145400000000, -0.0054332500000000 ] - [ 0.0001649400000000, 0.0024732800000000, 0.0016259600000000 ] - [ -0.0022621500000000, 0.0006969800000000, -0.0004813800000000 ] - [ -0.0022538700000000, 0.0007038200000000, -0.0004950400000000 ] - [ -0.0029659600000000, -0.0004244900000000, 0.0003825100000000 ] - [ -0.0041143000000000, 0.0006201500000000, 0.0004639000000000 ] - [ -0.0020821500000000, 0.0000627800000000, -0.0000242100000000 ] - [ -0.0020835100000000, 0.0000521800000000, -0.0000120900000000 ] - [ -0.0032907300000000, -0.0012763100000000, -0.0004630000000000 ] - [ -0.0028488100000000, -0.0002424100000000, -0.0003051500000000 ] - [ -0.0151570000000000, 0.0053411800000000, 0.0043295800000000 ] - [ -0.0025882800000000, 0.0010134600000000, 0.0004941800000000 ] - [ -0.0038949100000000, 0.0007585200000000, 0.0006010300000000 ] - [ -0.0030314200000000, -0.0003094700000000, 0.0000486700000000 ] - [ -0.0020982500000000, -0.0000626800000000, -0.0000219900000000 ] - [ -0.0020660800000000, -0.0000550200000000, -0.0000050000000000 ] - [ -0.0022632200000000, -0.0007042900000000, -0.0004995800000000 ] - [ -0.0022521300000000, -0.0006968300000000, -0.0004822000000000 ] - [ 0.0010381800000000, -0.0062083900000000, 0.0026048500000000 ] - [ 0.0077152300000000, 0.0012212300000000, 0.0002719200000000 ] - [ 0.0005836300000000, -0.0029302600000000, -0.0008094200000000 ] - [ -0.0047232500000000, 0.0093370300000000, 0.0066089100000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.3023404700000000, 0.0115297000000000, 0.0176475500000000 ] - [ 0.0180105100000000, 0.0028550600000000, 0.0025022600000000 ] - [ -0.0088289400000000, 0.0009133800000000, 0.0009999600000000 ] - [ -0.0088259100000000, 0.0001976200000000, 0.0009490000000000 ] - [ 0.0244458700000000, 0.0081738300000000, -0.0000583900000000 ] - [ 0.0301176500000000, 0.0113956600000000, -0.0007178700000000 ] - [ -0.0092117000000000, -0.0005272000000000, 0.0010045800000000 ] - [ -0.0083587600000000, -0.0005613400000000, 0.0008449500000000 ] - [ -0.0095441900000000, -0.0004634600000000, -0.0010493800000000 ] - [ -0.0095439800000000, -0.0004353800000000, -0.0010409100000000 ] - [ -0.0524952200000000, 0.0074366700000000, 0.0018981200000000 ] - [ 0.0010717100000000, -0.0009811000000000, 0.0004065800000000 ] - [ -0.0096118000000000, 0.0004333800000000, -0.0010492900000000 ] - [ -0.0094887700000000, 0.0004657900000000, -0.0010298100000000 ] - [ 0.0001674200000000, -0.0120508300000000, -0.0014531500000000 ] - [ -0.0004951800000000, 0.0127046300000000, 0.0009252500000000 ] - [ -0.0108873300000000, 0.0036561200000000, 0.0009158000000000 ] - [ -0.0023012900000000, -0.0022559400000000, -0.0011556500000000 ] - [ -0.0034428200000000, 0.0044229500000000, 0.0007704700000000 ] - [ -0.0047636500000000, -0.0058672100000000, 0.0015985700000000 ] - [ -0.0251729000000000, -0.0017097900000000, -0.0302430500000000 ] - [ 0.0088134800000000, -0.0035385600000000, 0.0016451500000000 ] - [ 0.0041689800000000, 0.0151915900000000, 0.0023351800000000 ] - [ -0.0143328700000000, -0.0363659200000000, 0.0136810500000000 ] - [ -0.0047084800000000, -0.0011245500000000, 0.0006528500000000 ] - [ -0.0055774100000000, 0.0037066400000000, -0.0005938900000000 ] - [ -0.0067914400000000, -0.0007907600000000, 0.0021177500000000 ] - [ -0.0035347900000000, -0.0009057200000000, -0.0004039500000000 ] - [ -0.0060774000000000, 0.0010180500000000, -0.0011214000000000 ] - [ -0.0062127900000000, 0.0021024400000000, -0.0011308300000000 ] - [ -0.0066752000000000, -0.0018500600000000, -0.0011642900000000 ] - [ -0.0058412800000000, -0.0012035500000000, -0.0009486500000000 ] - [ -0.0038115100000000, 0.0002104000000000, -0.0000395000000000 ] - [ -0.0038482900000000, 0.0001230400000000, -0.0000354100000000 ] - [ 0.0048482300000000, -0.0272987700000000, -0.0033278700000000 ] - [ -0.0005924700000000, 0.0203761400000000, -0.0002443900000000 ] - [ -0.0018086600000000, -0.0003993700000000, 0.0115278600000000 ] - [ 0.0057037500000000, 0.0002319300000000, -0.0000635600000000 ] - [ -0.0038784300000000, -0.0001736800000000, -0.0000377000000000 ] - [ -0.0037672100000000, -0.0001616700000000, -0.0000300100000000 ] - [ -0.1703123800000000, -0.0254827200000000, -0.0019760300000000 ] - [ -0.0119881100000000, -0.0036095700000000, -0.0018816200000000 ] - [ 0.0022816500000000, 0.0006216800000000, -0.0004386500000000 ] - [ 0.0022477100000000, 0.0008136400000000, -0.0005491100000000 ] - [ 0.0020993600000000, -0.0001039400000000, 0.0000224800000000 ] - [ 0.0021098700000000, 0.0001831800000000, -0.0001053300000000 ] - [ 0.0059744500000000, 0.0002812000000000, -0.0016191100000000 ] - [ 0.0057428700000000, 0.0025041800000000, -0.0003668500000000 ] - [ 0.0084640200000000, 0.0072538400000000, 0.0016155300000000 ] - [ -0.0010155100000000, -0.0013278900000000, -0.0013608400000000 ] - [ -0.0115349500000000, 0.0044660300000000, 0.0019944800000000 ] - [ -0.0092567400000000, -0.0019976800000000, 0.0019510500000000 ] - [ -0.0107065000000000, 0.0017533300000000, -0.0023130000000000 ] - [ -0.0217474700000000, 0.0059731000000000, -0.0025137900000000 ] - [ 0.0021759500000000, 0.0000591300000000, 0.0000155200000000 ] - [ 0.0019491900000000, -0.0002142300000000, 0.0000135000000000 ] - [ -0.0233971600000000, 0.0168187100000000, -0.0228997800000000 ] - [ -0.0068084800000000, 0.0001972300000000, 0.0011501200000000 ] - [ 0.0053619800000000, -0.0064508700000000, 0.0004928900000000 ] - [ 0.0002187200000000, 0.0042810200000000, 0.0026606800000000 ] - [ -0.0191852300000000, -0.0089191300000000, 0.0097833100000000 ] - [ -0.0046463200000000, -0.0026861200000000, 0.0009762600000000 ] - [ -0.0014645700000000, -0.0019012900000000, 0.0003479300000000 ] - [ 0.0075690200000000, 0.0056076500000000, 0.0013353900000000 ] - [ 0.0061144200000000, -0.0022102800000000, -0.0009699000000000 ] - [ 0.0054638200000000, 0.0002269600000000, -0.0016803300000000 ] - [ 0.0044109300000000, -0.0078272400000000, 0.0021943100000000 ] - [ 0.0049006400000000, 0.0079282500000000, -0.0064642200000000 ] - [ -0.0247405400000000, 0.0021246000000000, 0.0026789300000000 ] - [ -0.0059330400000000, -0.0037159700000000, -0.0017383100000000 ] - [ -0.0069888200000000, -0.0035530800000000, -0.0040703500000000 ] - [ -0.0211318000000000, 0.0046829900000000, 0.0077706100000000 ] - [ 0.0059436000000000, -0.0006597500000000, 0.0002650800000000 ] - [ 0.0058692700000000, -0.0005717800000000, 0.0002368700000000 ] - [ 0.0023125800000000, -0.0008088000000000, -0.0005740700000000 ] - [ 0.0021906000000000, -0.0005814700000000, -0.0004198600000000 ] - [ 0.0063802700000000, 0.0023262200000000, 0.0013625500000000 ] - [ 0.0063414000000000, 0.0020765800000000, 0.0014411500000000 ] - [ 0.0044246400000000, -0.0084333800000000, 0.0057762600000000 ] - [ 0.0003139800000000, 0.0037821800000000, -0.0000167000000000 ] - [ 0.0050940100000000, 0.0070291900000000, -0.0072028200000000 ] - [ -0.0007783300000000, -0.0036244900000000, 0.0011749900000000 ] - [ 0.0046866200000000, 0.0021052600000000, -0.0002371800000000 ] - [ 0.0036335800000000, -0.0009567100000000, -0.0002041500000000 ] - [ 0.0035494300000000, 0.0007920700000000, 0.0000560800000000 ] - [ 0.0035346600000000, -0.0006205000000000, 0.0008100800000000 ] - [ 0.0059871800000000, 0.0006147500000000, 0.0002471400000000 ] - [ 0.0058439400000000, 0.0006394700000000, 0.0002853600000000 ] - [ 0.0063820500000000, -0.0021123800000000, 0.0014569800000000 ] - [ 0.0063631700000000, -0.0023610900000000, 0.0013124200000000 ] - [ 0.0043024100000000, 0.0083852700000000, 0.0055606600000000 ] - [ -0.0002726000000000, -0.0019345500000000, -0.0014610300000000 ] - [ 0.0023778300000000, -0.0003175900000000, 0.0007220600000000 ] - [ 0.0023687600000000, -0.0003237700000000, 0.0007351600000000 ] - [ 0.0025885300000000, -0.0003727500000000, -0.0004735500000000 ] - [ 0.0037298000000000, -0.0014161900000000, -0.0005557900000000 ] - [ 0.0021906300000000, -0.0005845800000000, 0.0001693400000000 ] - [ 0.0021925300000000, -0.0005755900000000, 0.0001570500000000 ] - [ 0.0036536700000000, 0.0004771500000000, 0.0003684800000000 ] - [ 0.0032125000000000, -0.0005509600000000, 0.0002131700000000 ] - [ 0.0146152500000000, -0.0043101400000000, -0.0040884400000000 ] - [ 0.0020612800000000, 0.0000073600000000, -0.0002416700000000 ] - [ 0.0035109900000000, 0.0000352900000000, -0.0006946700000000 ] - [ 0.0026533600000000, 0.0011050600000000, -0.0001431700000000 ] - [ 0.0022076200000000, 0.0005875200000000, 0.0001692600000000 ] - [ 0.0021744300000000, 0.0005799600000000, 0.0001521100000000 ] - [ 0.0023789000000000, 0.0003218200000000, 0.0007373200000000 ] - [ 0.0023663900000000, 0.0003146200000000, 0.0007204700000000 ] - [ 0.0019458300000000, 0.0052229600000000, -0.0023406800000000 ] - [ -0.0076701800000000, -0.0024497800000000, 0.0002446900000000 ] - [ -0.0006928100000000, 0.0025456000000000, 0.0010461300000000 ] - [ 0.0045478400000000, -0.0096389500000000, -0.0063067700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0106151200000000, -0.3037551100000000, -0.0049420400000000 ] - [ -0.0031803300000000, 0.0453844700000000, -0.0037782400000000 ] - [ 0.0005166000000000, 0.0000359900000000, -0.0000494000000000 ] - [ 0.0012283600000000, 0.0000365000000000, -0.0001545700000000 ] - [ 0.0079982200000000, 0.0812394600000000, 0.0219130300000000 ] - [ 0.0109907100000000, 0.0761524200000000, 0.0096872500000000 ] - [ 0.0008435200000000, -0.0003308100000000, -0.0000824700000000 ] - [ 0.0008770400000000, 0.0002488500000000, -0.0001027300000000 ] - [ 0.0001381400000000, 0.0000889200000000, 0.0000118900000000 ] - [ 0.0001665000000000, 0.0000898500000000, 0.0000063700000000 ] - [ 0.0077322600000000, -0.0114997600000000, -0.0003544100000000 ] - [ -0.0006616900000000, 0.0114958600000000, 0.0000321800000000 ] - [ 0.0001352500000000, -0.0001167100000000, 0.0000090400000000 ] - [ 0.0001687500000000, -0.0000612600000000, 0.0000091000000000 ] - [ 0.0123992000000000, 0.0014439500000000, -0.0000386800000000 ] - [ -0.0124276700000000, -0.0027820300000000, 0.0001439200000000 ] - [ 0.0022635500000000, -0.0040518100000000, -0.0007213200000000 ] - [ 0.0001197300000000, 0.0036490000000000, -0.0002003900000000 ] - [ -0.0018078900000000, -0.0020529700000000, 0.0003346900000000 ] - [ 0.0031955100000000, 0.0024600400000000, -0.0011829800000000 ] - [ 0.0057752100000000, -0.0174074700000000, 0.0043299400000000 ] - [ -0.0034680600000000, 0.0133209700000000, 0.0020951200000000 ] - [ -0.0187883400000000, 0.0041909800000000, -0.0058334700000000 ] - [ 0.0180034100000000, 0.0097553300000000, 0.0014304800000000 ] - [ 0.0018110000000000, 0.0000824500000000, -0.0012245700000000 ] - [ -0.0002336500000000, -0.0009527100000000, 0.0005567800000000 ] - [ 0.0007292200000000, -0.0010865000000000, -0.0010462000000000 ] - [ 0.0008740700000000, 0.0018110100000000, 0.0000829300000000 ] - [ 0.0000286500000000, 0.0000924300000000, -0.0002235800000000 ] - [ -0.0004298600000000, 0.0002632400000000, -0.0003590400000000 ] - [ -0.0001471100000000, -0.0004532500000000, -0.0002866400000000 ] - [ -0.0002118300000000, 0.0000817200000000, -0.0003179000000000 ] - [ 0.0001753900000000, 0.0001672400000000, -0.0000357300000000 ] - [ 0.0002528700000000, 0.0001536100000000, -0.0000288600000000 ] - [ 0.0282735900000000, 0.0196324200000000, -0.0021273900000000 ] - [ -0.0268835200000000, 0.0198061300000000, -0.0005906000000000 ] - [ -0.0049341700000000, -0.0341267500000000, -0.0068004100000000 ] - [ -0.0000334300000000, 0.0125731100000000, 0.0003087100000000 ] - [ 0.0002234600000000, -0.0002045000000000, -0.0000343800000000 ] - [ 0.0002022200000000, -0.0001186600000000, -0.0000299500000000 ] - [ 0.0371700700000000, 0.0270845500000000, 0.0016850600000000 ] - [ -0.0018216300000000, -0.0045921800000000, 0.0002268400000000 ] - [ -0.0001409100000000, 0.0002528200000000, 0.0000920200000000 ] - [ -0.0002407200000000, 0.0000621900000000, 0.0002189100000000 ] - [ -0.0001074300000000, -0.0003783700000000, 0.0000910500000000 ] - [ -0.0002657500000000, -0.0001536600000000, 0.0000684900000000 ] - [ -0.0003175900000000, 0.0003353100000000, 0.0004435400000000 ] - [ -0.0008614100000000, -0.0016598300000000, -0.0001126500000000 ] - [ -0.0033886700000000, 0.0024876800000000, 0.0009172200000000 ] - [ 0.0038135700000000, -0.0034705100000000, -0.0016212300000000 ] - [ -0.0192730400000000, 0.0004527900000000, -0.0023004100000000 ] - [ 0.0160241500000000, -0.0082935700000000, 0.0008458200000000 ] - [ 0.0178829500000000, -0.0131215000000000, 0.0001520000000000 ] - [ -0.0162685100000000, -0.0012706300000000, -0.0022227000000000 ] - [ -0.0001873000000000, 0.0003996200000000, 0.0001321700000000 ] - [ -0.0001655400000000, 0.0001593000000000, 0.0000072200000000 ] - [ -0.0071948800000000, 0.0679557500000000, -0.0596245700000000 ] - [ -0.0012378900000000, -0.0244304800000000, 0.0122832400000000 ] - [ -0.0008086600000000, 0.0043133000000000, 0.0012887500000000 ] - [ -0.0004082300000000, -0.0050056700000000, -0.0025213800000000 ] - [ -0.0040351100000000, 0.0045268700000000, -0.0068778200000000 ] - [ 0.0009002700000000, -0.0269491000000000, 0.0135127000000000 ] - [ 0.0031157400000000, -0.0035375500000000, 0.0022060300000000 ] - [ -0.0029073900000000, 0.0021778100000000, -0.0025631300000000 ] - [ -0.0004381100000000, 0.0013280900000000, -0.0002202100000000 ] - [ -0.0007553400000000, -0.0001959300000000, 0.0007265600000000 ] - [ 0.0011515100000000, 0.0051997100000000, -0.0014424800000000 ] - [ -0.0027318300000000, -0.0042000800000000, 0.0020325400000000 ] - [ -0.0132022500000000, 0.0987557100000000, 0.0597105200000000 ] - [ 0.0003995100000000, -0.0253125600000000, -0.0145314200000000 ] - [ -0.0059097600000000, -0.0252085600000000, -0.0153934000000000 ] - [ 0.0003649100000000, 0.0012325300000000, -0.0070430000000000 ] - [ -0.0002692100000000, -0.0006101500000000, 0.0002413400000000 ] - [ -0.0003930700000000, -0.0006283400000000, 0.0002718600000000 ] - [ -0.0001724500000000, -0.0000891500000000, 0.0001971500000000 ] - [ -0.0002047600000000, -0.0002369200000000, 0.0001102600000000 ] - [ -0.0000733000000000, 0.0004741200000000, 0.0000259700000000 ] - [ -0.0000885000000000, 0.0003629800000000, 0.0000877100000000 ] - [ 0.0013846300000000, 0.0066252500000000, -0.0019676500000000 ] - [ -0.0025796500000000, -0.0055258900000000, 0.0014728500000000 ] - [ -0.0003778300000000, 0.0032704200000000, -0.0003189000000000 ] - [ 0.0011927900000000, -0.0034806700000000, 0.0015616100000000 ] - [ -0.0039069400000000, -0.0018846200000000, 0.0009785300000000 ] - [ 0.0030238100000000, 0.0006740200000000, -0.0007362400000000 ] - [ -0.0001441400000000, 0.0005852200000000, -0.0000625500000000 ] - [ 0.0001309900000000, 0.0002301200000000, -0.0000928400000000 ] - [ -0.0002970400000000, 0.0006594000000000, 0.0002675200000000 ] - [ -0.0003652000000000, 0.0005739700000000, 0.0002376900000000 ] - [ -0.0000843300000000, -0.0003610500000000, 0.0000732900000000 ] - [ -0.0000724000000000, -0.0004644200000000, 0.0000454300000000 ] - [ -0.0030119800000000, 0.0039381000000000, 0.0005297400000000 ] - [ 0.0038383800000000, -0.0051626100000000, -0.0009580600000000 ] - [ -0.0000672200000000, 0.0002297000000000, 0.0000842600000000 ] - [ -0.0000686100000000, 0.0002066400000000, 0.0000891300000000 ] - [ -0.0005303300000000, -0.0007721100000000, 0.0001466400000000 ] - [ -0.0002614600000000, 0.0000849400000000, -0.0001462900000000 ] - [ -0.0000637600000000, -0.0002584800000000, 0.0000683200000000 ] - [ -0.0000596900000000, -0.0002269900000000, 0.0000645700000000 ] - [ -0.0000270900000000, -0.0000976000000000, 0.0001572500000000 ] - [ 0.0000576300000000, -0.0007424900000000, -0.0002680100000000 ] - [ -0.0028887400000000, 0.0024296100000000, 0.0011731900000000 ] - [ 0.0004050400000000, -0.0006600900000000, -0.0001660100000000 ] - [ -0.0001172600000000, 0.0007991100000000, 0.0000179900000000 ] - [ -0.0006386600000000, 0.0000133800000000, -0.0000463700000000 ] - [ -0.0000603900000000, 0.0002602400000000, 0.0000765700000000 ] - [ -0.0000624700000000, 0.0002268300000000, 0.0000596400000000 ] - [ -0.0000635300000000, -0.0002081100000000, 0.0000870700000000 ] - [ -0.0000728800000000, -0.0002299000000000, 0.0000833900000000 ] - [ -0.0112168600000000, 0.0151277200000000, 0.0047047700000000 ] - [ 0.0000566400000000, -0.0095033600000000, -0.0001272700000000 ] - [ -0.0027575800000000, -0.0054703500000000, 0.0004110500000000 ] - [ 0.0014529300000000, 0.0056420100000000, 0.0009936600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0091849200000000, 0.3006153600000000, -0.0018608900000000 ] - [ 0.0024093600000000, -0.0453118700000000, 0.0036207300000000 ] - [ 0.0002381900000000, 0.0000792300000000, -0.0000424500000000 ] - [ -0.0004768100000000, 0.0000798900000000, 0.0000643900000000 ] - [ -0.0087488500000000, -0.0811568000000000, -0.0220044500000000 ] - [ -0.0118408800000000, -0.0765583800000000, -0.0100317000000000 ] - [ -0.0000910200000000, 0.0002157200000000, -0.0000095700000000 ] - [ -0.0001285500000000, -0.0003672100000000, 0.0000126500000000 ] - [ -0.0008535300000000, 0.0000306100000000, -0.0001009800000000 ] - [ -0.0008845200000000, 0.0000291700000000, -0.0000955900000000 ] - [ -0.0070082700000000, 0.0116033500000000, 0.0002559200000000 ] - [ 0.0014150400000000, -0.0113689600000000, -0.0001322900000000 ] - [ -0.0008546600000000, -0.0000017000000000, -0.0000986300000000 ] - [ -0.0008866400000000, -0.0000575000000000, -0.0000980700000000 ] - [ -0.0116400300000000, -0.0015740100000000, -0.0000603700000000 ] - [ 0.0131959600000000, 0.0026657100000000, -0.0002400700000000 ] - [ -0.0012134300000000, 0.0035256400000000, 0.0000467900000000 ] - [ 0.0008898900000000, -0.0041641700000000, -0.0004719300000000 ] - [ 0.0028244200000000, 0.0025557700000000, -0.0010103900000000 ] - [ -0.0021796300000000, -0.0019360700000000, 0.0004934300000000 ] - [ -0.0066599100000000, 0.0179927800000000, -0.0049292000000000 ] - [ 0.0024304200000000, -0.0127988000000000, -0.0027832100000000 ] - [ 0.0177209600000000, -0.0047652400000000, 0.0051472100000000 ] - [ -0.0190580500000000, -0.0102223200000000, -0.0021108500000000 ] - [ -0.0007911200000000, -0.0006081800000000, 0.0005495200000000 ] - [ 0.0012518700000000, 0.0004270600000000, -0.0012315700000000 ] - [ 0.0002916600000000, 0.0016106300000000, 0.0003682900000000 ] - [ 0.0001440800000000, -0.0012864000000000, -0.0007593500000000 ] - [ -0.0010264100000000, 0.0004242400000000, -0.0004496300000000 ] - [ -0.0005670000000000, 0.0002535100000000, -0.0003137900000000 ] - [ -0.0008495700000000, -0.0000627200000000, -0.0003859400000000 ] - [ -0.0007851300000000, -0.0005991100000000, -0.0003553300000000 ] - [ -0.0001685200000000, 0.0001583500000000, -0.0000331100000000 ] - [ -0.0002472500000000, 0.0001723300000000, -0.0000400200000000 ] - [ -0.0280704300000000, -0.0198081200000000, 0.0020515400000000 ] - [ 0.0270942900000000, -0.0202496700000000, 0.0005426700000000 ] - [ 0.0048199300000000, 0.0344419200000000, 0.0067279400000000 ] - [ 0.0000465100000000, -0.0122525300000000, -0.0003669800000000 ] - [ -0.0002162700000000, -0.0001215200000000, -0.0000337600000000 ] - [ -0.0001964400000000, -0.0002084600000000, -0.0000367600000000 ] - [ -0.0365511100000000, -0.0254612400000000, -0.0011639800000000 ] - [ 0.0023836300000000, 0.0056271900000000, 0.0000425900000000 ] - [ 0.0000137900000000, 0.0001238000000000, 0.0001503300000000 ] - [ 0.0001155500000000, 0.0003185000000000, 0.0000206200000000 ] - [ -0.0000146700000000, -0.0001400900000000, 0.0000498900000000 ] - [ 0.0001455200000000, -0.0003666000000000, 0.0000743800000000 ] - [ -0.0002208800000000, -0.0013583300000000, -0.0001853400000000 ] - [ 0.0003242800000000, 0.0006366100000000, 0.0003680500000000 ] - [ 0.0037292000000000, -0.0017299400000000, -0.0010167900000000 ] - [ -0.0034321500000000, 0.0042799900000000, 0.0015342300000000 ] - [ 0.0192819200000000, 0.0007824200000000, 0.0028072800000000 ] - [ -0.0160488700000000, 0.0095348200000000, -0.0003251800000000 ] - [ -0.0173933000000000, 0.0121148700000000, 0.0001051600000000 ] - [ 0.0168278400000000, 0.0002302000000000, 0.0025077400000000 ] - [ 0.0000669000000000, 0.0001223500000000, 0.0000123900000000 ] - [ 0.0000443600000000, 0.0003652700000000, 0.0001388500000000 ] - [ 0.0083038800000000, -0.0697611500000000, 0.0634261300000000 ] - [ 0.0013501200000000, 0.0247242500000000, -0.0120210300000000 ] - [ 0.0004052500000000, -0.0050793000000000, -0.0013975000000000 ] - [ 0.0000339100000000, 0.0041982400000000, 0.0024188500000000 ] - [ 0.0040914500000000, -0.0045612000000000, 0.0062090800000000 ] - [ -0.0007787600000000, 0.0264799300000000, -0.0133589700000000 ] - [ -0.0027298600000000, 0.0027453900000000, -0.0022962700000000 ] - [ 0.0033016700000000, -0.0029804200000000, 0.0024932400000000 ] - [ -0.0001075200000000, -0.0003004300000000, 0.0004801500000000 ] - [ 0.0002142800000000, 0.0012190900000000, -0.0004643900000000 ] - [ -0.0015432100000000, -0.0043656700000000, 0.0013443700000000 ] - [ 0.0023440700000000, 0.0049762800000000, -0.0021013000000000 ] - [ 0.0128964400000000, -0.0929072000000000, -0.0550709900000000 ] - [ -0.0002628500000000, 0.0258934800000000, 0.0146993400000000 ] - [ 0.0060657600000000, 0.0249019100000000, 0.0156869300000000 ] - [ 0.0001339800000000, -0.0027138900000000, 0.0063484500000000 ] - [ 0.0002582800000000, -0.0006252600000000, 0.0002673500000000 ] - [ 0.0003833600000000, -0.0006073200000000, 0.0002379400000000 ] - [ 0.0000452400000000, -0.0002922800000000, 0.0000410900000000 ] - [ 0.0000788700000000, -0.0001449700000000, 0.0001271700000000 ] - [ 0.0005852100000000, 0.0005459000000000, 0.0002270100000000 ] - [ 0.0006036000000000, 0.0006565800000000, 0.0001656100000000 ] - [ -0.0015052100000000, -0.0062556200000000, 0.0022244400000000 ] - [ 0.0024446000000000, 0.0059027800000000, -0.0012293100000000 ] - [ 0.0002586700000000, -0.0037891500000000, 0.0004691000000000 ] - [ -0.0013127000000000, 0.0029536600000000, -0.0014150500000000 ] - [ 0.0033700200000000, 0.0008640600000000, -0.0007188200000000 ] - [ -0.0035559800000000, -0.0016973600000000, 0.0009963300000000 ] - [ 0.0005138300000000, 0.0002113300000000, -0.0000332600000000 ] - [ 0.0002389500000000, 0.0005672800000000, -0.0000030700000000 ] - [ 0.0002839300000000, 0.0005765000000000, 0.0002411600000000 ] - [ 0.0003542700000000, 0.0006613400000000, 0.0002715000000000 ] - [ 0.0006080000000000, -0.0006608000000000, 0.0001812700000000 ] - [ 0.0005882400000000, -0.0005556800000000, 0.0002085200000000 ] - [ 0.0028906000000000, -0.0033976800000000, -0.0003893500000000 ] - [ -0.0039609500000000, 0.0056814500000000, 0.0011015000000000 ] - [ 0.0001859600000000, 0.0001492500000000, 0.0001563700000000 ] - [ 0.0001874400000000, 0.0001729200000000, 0.0001514500000000 ] - [ 0.0001508100000000, -0.0000257300000000, -0.0002393900000000 ] - [ -0.0001222500000000, -0.0008816200000000, 0.0000522700000000 ] - [ 0.0001747900000000, -0.0002619300000000, 0.0000748200000000 ] - [ 0.0001715600000000, -0.0002946900000000, 0.0000777400000000 ] - [ 0.0003974100000000, -0.0006993700000000, -0.0002520400000000 ] - [ 0.0003124200000000, -0.0000552200000000, 0.0001735400000000 ] - [ 0.0023423700000000, -0.0014040500000000, -0.0009042600000000 ] - [ -0.0009410800000000, 0.0016823400000000, 0.0004239800000000 ] - [ -0.0002666200000000, -0.0000026100000000, -0.0001125100000000 ] - [ 0.0002587600000000, 0.0007845300000000, -0.0000491300000000 ] - [ 0.0001725500000000, 0.0002624000000000, 0.0000683900000000 ] - [ 0.0001736600000000, 0.0002963400000000, 0.0000847400000000 ] - [ 0.0001819300000000, -0.0001741700000000, 0.0001514500000000 ] - [ 0.0001904200000000, -0.0001514900000000, 0.0001551600000000 ] - [ 0.0107656000000000, -0.0162834900000000, -0.0040189100000000 ] - [ -0.0000589200000000, 0.0082702900000000, 0.0006373100000000 ] - [ 0.0026260400000000, 0.0050930800000000, -0.0001629300000000 ] - [ -0.0015788600000000, -0.0060221900000000, -0.0007497200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0181250200000000, -0.0014417400000000, -0.2388680200000000 ] - [ -0.0029680600000000, -0.0036242300000000, -0.0045599000000000 ] - [ 0.0013781700000000, -0.0000507300000000, -0.0001539800000000 ] - [ 0.0014297500000000, 0.0000546700000000, -0.0001543400000000 ] - [ -0.0004851800000000, -0.0217076800000000, 0.0703518000000000 ] - [ 0.0001385700000000, -0.0099877700000000, 0.0660879200000000 ] - [ 0.0014324800000000, -0.0000232600000000, -0.0001577500000000 ] - [ 0.0012744200000000, -0.0000005800000000, -0.0001437500000000 ] - [ 0.0006375800000000, 0.0001130400000000, 0.0000668100000000 ] - [ 0.0006450000000000, 0.0001165400000000, 0.0000671900000000 ] - [ 0.0023206200000000, -0.0002434700000000, -0.0004686500000000 ] - [ 0.0008211800000000, 0.0001401400000000, 0.0006493100000000 ] - [ 0.0006443000000000, -0.0001150700000000, 0.0000675400000000 ] - [ 0.0006249900000000, -0.0001142200000000, 0.0000647000000000 ] - [ -0.0010233000000000, -0.0000487000000000, -0.0016136400000000 ] - [ 0.0013625800000000, -0.0002688500000000, -0.0002098800000000 ] - [ 0.0014607700000000, -0.0007690900000000, -0.0005734200000000 ] - [ 0.0008586800000000, 0.0000763800000000, -0.0003208000000000 ] - [ 0.0011801000000000, -0.0003222400000000, -0.0003635300000000 ] - [ 0.0010908200000000, 0.0007085400000000, -0.0006434400000000 ] - [ 0.0081125000000000, 0.0023427200000000, 0.0089208400000000 ] - [ -0.0003106700000000, -0.0000862500000000, -0.0009275000000000 ] - [ -0.0043976800000000, 0.0012673700000000, -0.0013675700000000 ] - [ -0.0014165400000000, 0.0008276500000000, -0.0026111700000000 ] - [ 0.0010331200000000, -0.0003254100000000, -0.0003993000000000 ] - [ 0.0010771600000000, -0.0005498500000000, -0.0003586600000000 ] - [ 0.0012546400000000, 0.0003785900000000, -0.0006127000000000 ] - [ 0.0011122200000000, 0.0003710300000000, -0.0003742500000000 ] - [ 0.0001145800000000, 0.0001527900000000, -0.0002473500000000 ] - [ 0.0001319600000000, 0.0000696500000000, -0.0002498700000000 ] - [ 0.0001540600000000, -0.0000900300000000, -0.0002543200000000 ] - [ 0.0001021700000000, -0.0001368500000000, -0.0002639700000000 ] - [ 0.0004177000000000, 0.0001575100000000, -0.0000361300000000 ] - [ 0.0004248500000000, 0.0001747300000000, -0.0000370000000000 ] - [ 0.0049521800000000, 0.0036151600000000, -0.0070554800000000 ] - [ 0.0054328000000000, -0.0074479800000000, -0.0123638200000000 ] - [ -0.0052305000000000, 0.0069731100000000, 0.0347396100000000 ] - [ -0.0019708900000000, -0.0010271600000000, 0.0001270200000000 ] - [ 0.0004304300000000, -0.0001696400000000, -0.0000353600000000 ] - [ 0.0004141600000000, -0.0001640500000000, -0.0000348800000000 ] - [ 0.0182069600000000, 0.0060157800000000, 0.0144689900000000 ] - [ 0.0013430800000000, 0.0008874800000000, 0.0004225600000000 ] - [ -0.0003157500000000, 0.0001510100000000, 0.0001771900000000 ] - [ -0.0003164600000000, 0.0001061600000000, 0.0002098800000000 ] - [ -0.0002896300000000, -0.0002731700000000, 0.0000658800000000 ] - [ -0.0003024100000000, -0.0003045500000000, 0.0000833500000000 ] - [ -0.0009535100000000, -0.0005698200000000, 0.0003169800000000 ] - [ -0.0008608500000000, -0.0007694300000000, 0.0002209700000000 ] - [ -0.0010206100000000, -0.0006146800000000, -0.0009660600000000 ] - [ 0.0003435400000000, 0.0000310200000000, -0.0007690200000000 ] - [ 0.0031556700000000, -0.0000529800000000, -0.0047219000000000 ] - [ -0.0005504900000000, 0.0037865300000000, -0.0039159300000000 ] - [ -0.0032855500000000, -0.0004791500000000, -0.0054823800000000 ] - [ 0.0017841000000000, 0.0017749400000000, -0.0061268900000000 ] - [ -0.0003112900000000, 0.0002831300000000, 0.0000840600000000 ] - [ -0.0002821500000000, 0.0003168500000000, 0.0000948500000000 ] - [ 0.0093821800000000, -0.0415627100000000, 0.0587192300000000 ] - [ 0.0014434100000000, 0.0007973800000000, -0.0042343200000000 ] - [ -0.0009178700000000, -0.0000145500000000, -0.0000070800000000 ] - [ -0.0004447000000000, -0.0007913500000000, -0.0003740000000000 ] - [ 0.0064992700000000, 0.0132516300000000, 0.0052479600000000 ] - [ -0.0001300800000000, 0.0015911400000000, -0.0022265400000000 ] - [ 0.0004951500000000, -0.0006023800000000, 0.0006045000000000 ] - [ -0.0000448300000000, -0.0006142600000000, 0.0004015900000000 ] - [ -0.0009583500000000, 0.0008301900000000, 0.0002319700000000 ] - [ -0.0009645900000000, 0.0005732400000000, 0.0003119200000000 ] - [ -0.0005146500000000, 0.0012975300000000, -0.0006491600000000 ] - [ -0.0008589700000000, -0.0004480500000000, 0.0006625900000000 ] - [ -0.0075999400000000, 0.0447866100000000, 0.0337234800000000 ] - [ 0.0017153900000000, 0.0052300700000000, -0.0025081300000000 ] - [ 0.0016912300000000, 0.0047527900000000, 0.0014749900000000 ] - [ -0.0043083500000000, -0.0067812000000000, -0.0048703900000000 ] - [ -0.0006496500000000, -0.0006112600000000, 0.0002526900000000 ] - [ -0.0006584300000000, -0.0006235200000000, 0.0002550800000000 ] - [ -0.0003244500000000, -0.0001149500000000, 0.0001976900000000 ] - [ -0.0003039300000000, -0.0001648700000000, 0.0001609300000000 ] - [ -0.0004077700000000, 0.0003172300000000, -0.0000096600000000 ] - [ -0.0004091700000000, 0.0003310600000000, -0.0000157100000000 ] - [ 0.0005815700000000, -0.0003108400000000, -0.0003361500000000 ] - [ 0.0001840800000000, 0.0001146300000000, -0.0005093600000000 ] - [ -0.0010708700000000, -0.0017445400000000, 0.0009997000000000 ] - [ -0.0004275300000000, 0.0002669600000000, -0.0000526300000000 ] - [ -0.0008586100000000, -0.0007189300000000, 0.0003149600000000 ] - [ -0.0008795900000000, -0.0005425900000000, 0.0002161000000000 ] - [ -0.0001842600000000, 0.0003743400000000, -0.0000644400000000 ] - [ -0.0001653600000000, 0.0004716400000000, -0.0001064100000000 ] - [ -0.0006623800000000, 0.0006202100000000, 0.0002548500000000 ] - [ -0.0006331800000000, 0.0006181100000000, 0.0002565300000000 ] - [ -0.0004029200000000, -0.0003312100000000, -0.0000159600000000 ] - [ -0.0004009800000000, -0.0003137000000000, -0.0000042100000000 ] - [ 0.0002770100000000, 0.0003954000000000, -0.0000145500000000 ] - [ -0.0000556900000000, 0.0002117600000000, -0.0002719200000000 ] - [ -0.0001944200000000, 0.0002470400000000, 0.0000536600000000 ] - [ -0.0001937300000000, 0.0002435300000000, 0.0000534900000000 ] - [ -0.0005087300000000, -0.0003591900000000, -0.0000233100000000 ] - [ -0.0005989700000000, -0.0002947900000000, 0.0000010600000000 ] - [ -0.0001764800000000, -0.0002227100000000, 0.0000598800000000 ] - [ -0.0001782800000000, -0.0002248300000000, 0.0000608700000000 ] - [ -0.0001776000000000, -0.0004687400000000, -0.0000817200000000 ] - [ -0.0001541600000000, -0.0004149300000000, -0.0000931300000000 ] - [ -0.0013840900000000, 0.0007519800000000, 0.0008908900000000 ] - [ -0.0007117200000000, 0.0006452900000000, 0.0001168700000000 ] - [ -0.0005986900000000, 0.0004258100000000, 0.0000478000000000 ] - [ -0.0005289400000000, 0.0003557600000000, -0.0000035300000000 ] - [ -0.0001792400000000, 0.0002246600000000, 0.0000618700000000 ] - [ -0.0001751400000000, 0.0002270700000000, 0.0000635300000000 ] - [ -0.0001946100000000, -0.0002448900000000, 0.0000515800000000 ] - [ -0.0001941300000000, -0.0002500000000000, 0.0000514500000000 ] - [ -0.0139623500000000, -0.0008886100000000, 0.0093574700000000 ] - [ 0.0015656800000000, 0.0014147500000000, 0.0000244300000000 ] - [ -0.0010008900000000, -0.0008020100000000, 0.0010181900000000 ] - [ -0.0003670500000000, -0.0000200800000000, 0.0004276400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0157701700000000, 0.0015493900000000, 0.2347524600000000 ] - [ 0.0021689800000000, 0.0037738700000000, 0.0045202900000000 ] - [ -0.0006185200000000, 0.0001651200000000, 0.0000621300000000 ] - [ -0.0006694600000000, 0.0000582300000000, 0.0000630800000000 ] - [ -0.0002995500000000, 0.0222139500000000, -0.0713984500000000 ] - [ -0.0010088100000000, 0.0097327100000000, -0.0669445900000000 ] - [ -0.0006734500000000, -0.0000908000000000, 0.0000657700000000 ] - [ -0.0005141300000000, -0.0001128700000000, 0.0000526800000000 ] - [ -0.0013507500000000, 0.0000053600000000, -0.0001545400000000 ] - [ -0.0013584000000000, 0.0000002800000000, -0.0001545800000000 ] - [ -0.0015713300000000, 0.0003606200000000, 0.0004126500000000 ] - [ -0.0000898300000000, -0.0000284000000000, -0.0007493300000000 ] - [ -0.0013584800000000, -0.0000025700000000, -0.0001556000000000 ] - [ -0.0013387800000000, -0.0000026300000000, -0.0001519600000000 ] - [ 0.0018005700000000, -0.0000257000000000, 0.0015097700000000 ] - [ -0.0006035700000000, 0.0001211200000000, 0.0000990900000000 ] - [ -0.0004220000000000, 0.0002338600000000, -0.0000879000000000 ] - [ 0.0001563000000000, -0.0005866100000000, -0.0003507700000000 ] - [ -0.0001764200000000, 0.0008400900000000, -0.0003259300000000 ] - [ -0.0000739600000000, -0.0001954200000000, -0.0000621200000000 ] - [ -0.0092305300000000, -0.0018353700000000, -0.0095883200000000 ] - [ -0.0007293500000000, 0.0006415300000000, 0.0002486600000000 ] - [ 0.0034006500000000, -0.0018511900000000, 0.0006817900000000 ] - [ 0.0005255200000000, -0.0011960800000000, 0.0018928900000000 ] - [ -0.0000175200000000, -0.0001980700000000, -0.0002798000000000 ] - [ -0.0000621300000000, 0.0000239800000000, -0.0003199300000000 ] - [ -0.0002346300000000, 0.0001444500000000, -0.0000678600000000 ] - [ -0.0000982100000000, 0.0001551300000000, -0.0003025000000000 ] - [ -0.0010999700000000, 0.0003664500000000, -0.0004274300000000 ] - [ -0.0011172800000000, 0.0004478200000000, -0.0004251300000000 ] - [ -0.0011384700000000, -0.0004278700000000, -0.0004206100000000 ] - [ -0.0010879600000000, -0.0003816800000000, -0.0004110500000000 ] - [ -0.0004078000000000, 0.0001770700000000, -0.0000340000000000 ] - [ -0.0004154100000000, 0.0001594400000000, -0.0000336600000000 ] - [ -0.0049979800000000, -0.0039851600000000, 0.0070206300000000 ] - [ -0.0054502900000000, 0.0071232500000000, 0.0123818900000000 ] - [ 0.0056677400000000, -0.0066539400000000, -0.0349569800000000 ] - [ 0.0019582500000000, 0.0013686900000000, -0.0001997900000000 ] - [ -0.0004202200000000, -0.0001650800000000, -0.0000334900000000 ] - [ -0.0004046700000000, -0.0001707600000000, -0.0000335500000000 ] - [ -0.0169650200000000, -0.0048564400000000, -0.0136493900000000 ] - [ -0.0007729000000000, 0.0001464100000000, -0.0001593900000000 ] - [ 0.0001940900000000, 0.0002288900000000, 0.0000617300000000 ] - [ 0.0001953200000000, 0.0002765300000000, 0.0000271600000000 ] - [ 0.0001687700000000, -0.0002420400000000, 0.0000768400000000 ] - [ 0.0001823100000000, -0.0002098800000000, 0.0000601800000000 ] - [ 0.0004009100000000, -0.0004592000000000, -0.0000567400000000 ] - [ 0.0003020900000000, -0.0002615800000000, 0.0000378000000000 ] - [ 0.0013484500000000, 0.0013839500000000, 0.0008868000000000 ] - [ 0.0000317400000000, 0.0007732800000000, 0.0006885400000000 ] - [ -0.0031690100000000, 0.0012593700000000, 0.0052961300000000 ] - [ 0.0005961100000000, -0.0025457100000000, 0.0044539100000000 ] - [ 0.0038679400000000, -0.0005802100000000, 0.0058135200000000 ] - [ -0.0012202600000000, -0.0028156200000000, 0.0064671200000000 ] - [ 0.0001917300000000, 0.0002344300000000, 0.0000613200000000 ] - [ 0.0001613600000000, 0.0002004900000000, 0.0000510800000000 ] - [ -0.0081143900000000, 0.0378561400000000, -0.0544097900000000 ] - [ -0.0013042500000000, -0.0003897600000000, 0.0044767700000000 ] - [ 0.0005443600000000, -0.0007755300000000, -0.0001059300000000 ] - [ 0.0000631700000000, -0.0000210900000000, 0.0002624000000000 ] - [ -0.0065781800000000, -0.0127725200000000, -0.0064682100000000 ] - [ 0.0002710400000000, -0.0021378000000000, 0.0024078900000000 ] - [ -0.0001195300000000, -0.0001949200000000, -0.0007023300000000 ] - [ 0.0004475300000000, -0.0001492100000000, -0.0005015300000000 ] - [ 0.0004044500000000, 0.0002017000000000, 0.0000294100000000 ] - [ 0.0004093300000000, 0.0004580700000000, -0.0000462200000000 ] - [ 0.0001226300000000, -0.0004725700000000, 0.0005577000000000 ] - [ 0.0004526000000000, 0.0012094600000000, -0.0007132000000000 ] - [ 0.0075631000000000, -0.0411757700000000, -0.0316209300000000 ] - [ -0.0015858500000000, -0.0047681200000000, 0.0026698000000000 ] - [ -0.0015566000000000, -0.0051953500000000, -0.0012175700000000 ] - [ 0.0046630100000000, 0.0058821600000000, 0.0049567600000000 ] - [ 0.0006349900000000, -0.0006272800000000, 0.0002591800000000 ] - [ 0.0006442300000000, -0.0006145600000000, 0.0002577700000000 ] - [ 0.0002025300000000, -0.0002687900000000, 0.0000380700000000 ] - [ 0.0001821800000000, -0.0002188900000000, 0.0000742800000000 ] - [ 0.0009273400000000, 0.0007064700000000, 0.0002638700000000 ] - [ 0.0009299200000000, 0.0006916100000000, 0.0002701900000000 ] - [ -0.0006966100000000, 0.0007015800000000, 0.0005961600000000 ] - [ -0.0003040900000000, 0.0002576900000000, 0.0007560200000000 ] - [ 0.0009217200000000, 0.0011976300000000, -0.0008456900000000 ] - [ 0.0003191900000000, -0.0007763000000000, 0.0001977700000000 ] - [ 0.0003034800000000, -0.0003129400000000, -0.0000495700000000 ] - [ 0.0003317500000000, -0.0004880300000000, 0.0000469600000000 ] - [ 0.0005473900000000, 0.0004212800000000, -0.0000289500000000 ] - [ 0.0005297300000000, 0.0003254500000000, 0.0000119100000000 ] - [ 0.0006470300000000, 0.0006185600000000, 0.0002569300000000 ] - [ 0.0006186100000000, 0.0006197900000000, 0.0002553700000000 ] - [ 0.0009299800000000, -0.0006933700000000, 0.0002712900000000 ] - [ 0.0009227900000000, -0.0007097900000000, 0.0002590600000000 ] - [ -0.0003845500000000, 0.0001173100000000, 0.0001633500000000 ] - [ -0.0000698800000000, 0.0003191300000000, 0.0004210900000000 ] - [ 0.0003048900000000, 0.0001350500000000, 0.0001833500000000 ] - [ 0.0003042000000000, 0.0001396300000000, 0.0001827200000000 ] - [ 0.0001294300000000, -0.0004380600000000, -0.0000694700000000 ] - [ 0.0002179400000000, -0.0005011300000000, -0.0000946900000000 ] - [ 0.0002842600000000, -0.0002912700000000, 0.0000838000000000 ] - [ 0.0002866000000000, -0.0002891400000000, 0.0000815400000000 ] - [ 0.0005412200000000, -0.0003276600000000, -0.0000125700000000 ] - [ 0.0005182300000000, -0.0003820800000000, -0.0000008200000000 ] - [ 0.0008300000000000, 0.0002736600000000, -0.0006218300000000 ] - [ 0.0001668100000000, 0.0003822500000000, 0.0001427600000000 ] - [ 0.0002169300000000, 0.0003703200000000, -0.0001397400000000 ] - [ 0.0001496200000000, 0.0004401500000000, -0.0000907400000000 ] - [ 0.0002878200000000, 0.0002916700000000, 0.0000837000000000 ] - [ 0.0002829500000000, 0.0002889900000000, 0.0000809500000000 ] - [ 0.0003047900000000, -0.0001404600000000, 0.0001823300000000 ] - [ 0.0003036800000000, -0.0001349600000000, 0.0001830800000000 ] - [ 0.0135511100000000, -0.0003668500000000, -0.0085452700000000 ] - [ -0.0015355500000000, -0.0026405500000000, 0.0004912100000000 ] - [ 0.0008922000000000, 0.0004141100000000, -0.0007891000000000 ] - [ 0.0002206900000000, -0.0003299600000000, -0.0001918400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0110433600000000, 0.0017993700000000, 0.0008949200000000 ] - [ 0.0024236200000000, -0.0003324300000000, 0.0003029100000000 ] - [ 0.0141684600000000, -0.0184024400000000, 0.0009073500000000 ] - [ -0.0042437700000000, 0.0182270800000000, 0.0038202700000000 ] - [ 0.0035494100000000, 0.0022744700000000, 0.0006349400000000 ] - [ 0.0048639500000000, -0.0027460200000000, 0.0005364900000000 ] - [ 0.0249642700000000, 0.0061641000000000, -0.0086558000000000 ] - [ -0.0089052800000000, -0.0029987200000000, -0.0002565600000000 ] - [ 0.0057052800000000, -0.0006843900000000, 0.0005228800000000 ] - [ 0.0048319300000000, 0.0013535200000000, 0.0004781100000000 ] - [ 0.0065515400000000, -0.0002970200000000, -0.0006878200000000 ] - [ 0.0057093900000000, -0.0002313200000000, -0.0006376300000000 ] - [ 0.0069158700000000, -0.0002740800000000, 0.0006962700000000 ] - [ 0.0036582100000000, -0.0004194100000000, 0.0005575200000000 ] - [ 0.0059493200000000, 0.0004754200000000, -0.0006496900000000 ] - [ 0.0060842100000000, 0.0000099200000000, -0.0006676600000000 ] - [ -0.1260038900000000, -0.0160597900000000, -0.0269471800000000 ] - [ -0.0090188600000000, 0.0009050700000000, -0.0005577200000000 ] - [ -0.0280705700000000, -0.0002894500000000, 0.0082234300000000 ] - [ -0.0151842300000000, -0.0089476600000000, 0.0041072800000000 ] - [ 0.0126698400000000, -0.0052135500000000, 0.0028253600000000 ] - [ -0.0025642400000000, 0.0007286600000000, -0.0001664400000000 ] - [ 0.0056819800000000, 0.0183660700000000, -0.0010553200000000 ] - [ 0.0056715600000000, -0.0167739200000000, -0.0002145200000000 ] - [ 0.0040383300000000, -0.0010635300000000, -0.0008084000000000 ] - [ 0.0040380200000000, -0.0010519800000000, -0.0007871600000000 ] - [ 0.0041129800000000, 0.0010959700000000, -0.0008416300000000 ] - [ 0.0039731800000000, 0.0010120400000000, -0.0007685300000000 ] - [ 0.0031131100000000, -0.0007135100000000, 0.0000961400000000 ] - [ 0.0029708600000000, -0.0003636400000000, 0.0001326800000000 ] - [ 0.0031989400000000, 0.0005745900000000, 0.0002331300000000 ] - [ 0.0028908200000000, 0.0004836200000000, 0.0000345500000000 ] - [ 0.0027128600000000, -0.0024288300000000, -0.0004245700000000 ] - [ 0.0022527500000000, 0.0023868600000000, -0.0002378400000000 ] - [ 0.0023783100000000, 0.0003487500000000, -0.0000633700000000 ] - [ 0.0024043400000000, -0.0006538100000000, -0.0000323600000000 ] - [ 0.0026605100000000, 0.0002936500000000, -0.0000197400000000 ] - [ 0.0020503500000000, 0.0000803900000000, -0.0000231300000000 ] - [ 0.0051355100000000, 0.0003872800000000, 0.0002041500000000 ] - [ 0.0009386300000000, -0.0007413900000000, 0.0000983800000000 ] - [ -0.0099066100000000, 0.0015466200000000, -0.0004308800000000 ] - [ -0.0004408000000000, -0.0013865100000000, 0.0006916600000000 ] - [ -0.0041268700000000, 0.0039455400000000, -0.0000597100000000 ] - [ 0.0004378900000000, -0.0020727800000000, 0.0016501400000000 ] - [ 0.0008944500000000, 0.0037975700000000, -0.0044387600000000 ] - [ -0.0012271900000000, -0.0069043900000000, 0.0020758200000000 ] - [ -0.0010606800000000, 0.0020398200000000, 0.0064592300000000 ] - [ 0.0095991700000000, 0.0040334800000000, -0.0005554400000000 ] - [ 0.0285637500000000, -0.0143018000000000, 0.0145075700000000 ] - [ 0.0047518700000000, -0.0030146700000000, -0.0004623700000000 ] - [ -0.0033530200000000, 0.0003100700000000, 0.0001754800000000 ] - [ -0.0036718300000000, 0.0009135200000000, 0.0002547000000000 ] - [ -0.0009859400000000, -0.0018528900000000, -0.0009368600000000 ] - [ -0.0032796900000000, 0.0025387500000000, 0.0001241600000000 ] - [ -0.0056046000000000, -0.0104796500000000, -0.0035577300000000 ] - [ 0.0005825400000000, 0.0060538500000000, 0.0038395500000000 ] - [ -0.0019370600000000, 0.0014973500000000, -0.0011146100000000 ] - [ -0.0008712400000000, -0.0000766900000000, 0.0000975700000000 ] - [ 0.0285797500000000, 0.0069657500000000, -0.0122388200000000 ] - [ 0.0033084500000000, 0.0016436100000000, -0.0005234900000000 ] - [ -0.0016283900000000, -0.0015033100000000, 0.0009109800000000 ] - [ -0.0007644600000000, 0.0008771300000000, -0.0003223200000000 ] - [ 0.0046200100000000, -0.0015129100000000, 0.0011085600000000 ] - [ 0.0132420400000000, 0.0025505900000000, -0.0009409300000000 ] - [ -0.0002549000000000, 0.0096835000000000, -0.0076683300000000 ] - [ 0.0107468200000000, -0.0047568900000000, -0.0035161200000000 ] - [ 0.0427307600000000, 0.0204033100000000, 0.0214775600000000 ] - [ 0.0040891900000000, 0.0037119200000000, -0.0008410000000000 ] - [ -0.0013215500000000, -0.0017164300000000, -0.0010538000000000 ] - [ -0.0011524400000000, 0.0010986700000000, 0.0005238900000000 ] - [ -0.0010352400000000, -0.0008996700000000, -0.0004660300000000 ] - [ -0.0016787900000000, 0.0004859200000000, 0.0005927800000000 ] - [ -0.0039947800000000, 0.0010150300000000, 0.0000408200000000 ] - [ -0.0021683300000000, -0.0019717900000000, 0.0000976500000000 ] - [ -0.0045082200000000, 0.0034530600000000, 0.0011219200000000 ] - [ 0.0007108500000000, -0.0027264200000000, -0.0015318900000000 ] - [ -0.0035414100000000, -0.0004481400000000, -0.0006500400000000 ] - [ -0.0033952300000000, -0.0006077400000000, -0.0005925100000000 ] - [ -0.0015336000000000, -0.0000073700000000, 0.0004615600000000 ] - [ -0.0014601300000000, -0.0002224000000000, 0.0005022200000000 ] - [ -0.0014592400000000, -0.0006116700000000, 0.0002089000000000 ] - [ -0.0013139900000000, -0.0003378600000000, 0.0000701200000000 ] - [ -0.0040282000000000, -0.0015743300000000, 0.0009028300000000 ] - [ -0.0040375000000000, -0.0015505200000000, 0.0009022500000000 ] - [ -0.0019142100000000, 0.0006268600000000, -0.0003032400000000 ] - [ -0.0017988300000000, 0.0005968700000000, -0.0002985600000000 ] - [ -0.0065354100000000, -0.0000984800000000, 0.0006046300000000 ] - [ -0.0001181200000000, 0.0015439600000000, 0.0005853600000000 ] - [ -0.0039903600000000, 0.0006733800000000, -0.0008096700000000 ] - [ -0.0030630200000000, 0.0004370600000000, -0.0004977400000000 ] - [ -0.0013893300000000, 0.0003277500000000, 0.0000452000000000 ] - [ -0.0013736000000000, 0.0005625300000000, 0.0001811100000000 ] - [ -0.0016128100000000, 0.0009457200000000, -0.0003811100000000 ] - [ -0.0011355700000000, 0.0001074600000000, -0.0001717800000000 ] - [ -0.0022251800000000, -0.0001285400000000, 0.0002389100000000 ] - [ -0.0022475700000000, -0.0002430000000000, 0.0001794600000000 ] - [ -0.0013335000000000, 0.0005532600000000, -0.0002526900000000 ] - [ -0.0012646700000000, -0.0006278000000000, 0.0003317000000000 ] - [ -0.0019036200000000, -0.0005842600000000, -0.0003246800000000 ] - [ -0.0018015600000000, -0.0006266300000000, -0.0002719300000000 ] - [ -0.0041853700000000, 0.0015982200000000, 0.0009740600000000 ] - [ -0.0039362300000000, 0.0015474400000000, 0.0008645700000000 ] - [ -0.0022644600000000, 0.0001396400000000, 0.0002282300000000 ] - [ -0.0022059600000000, 0.0002335500000000, 0.0001851300000000 ] - [ -0.0016119400000000, -0.0006004900000000, -0.0002199200000000 ] - [ -0.0009613000000000, 0.0006991500000000, 0.0002896800000000 ] - [ -0.0016593500000000, -0.0000953100000000, -0.0002664700000000 ] - [ -0.0011957200000000, -0.0009474700000000, -0.0002943000000000 ] - [ -0.0047786200000000, -0.0007181400000000, 0.0004240900000000 ] - [ -0.0029129900000000, -0.0005140800000000, 0.0002239300000000 ] - [ -0.0014568700000000, 0.0000284300000000, 0.0004802100000000 ] - [ -0.0015603100000000, 0.0002547400000000, 0.0005558900000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0117131100000000, -0.0016710600000000, -0.0009793300000000 ] - [ -0.0031909900000000, 0.0004450300000000, -0.0003914200000000 ] - [ -0.0134735200000000, 0.0186638500000000, -0.0010267800000000 ] - [ 0.0050258700000000, -0.0182769300000000, -0.0039700100000000 ] - [ -0.0043377100000000, -0.0023639900000000, -0.0007161100000000 ] - [ -0.0056593900000000, 0.0026227700000000, -0.0006230700000000 ] - [ -0.0242665400000000, -0.0062752300000000, 0.0086970400000000 ] - [ 0.0096922300000000, 0.0028947100000000, 0.0001719300000000 ] - [ -0.0064632100000000, 0.0008055800000000, -0.0006094900000000 ] - [ -0.0055910900000000, -0.0012455400000000, -0.0005645000000000 ] - [ -0.0058262100000000, 0.0004104800000000, 0.0006095700000000 ] - [ -0.0049933900000000, 0.0003467600000000, 0.0005588500000000 ] - [ -0.0076810700000000, 0.0001588800000000, -0.0007823000000000 ] - [ -0.0044111500000000, 0.0003065700000000, -0.0006435900000000 ] - [ -0.0052317100000000, -0.0005868200000000, 0.0005694300000000 ] - [ -0.0053701300000000, -0.0001311100000000, 0.0005867700000000 ] - [ 0.1251176600000000, 0.0148530200000000, 0.0253036900000000 ] - [ 0.0100680900000000, -0.0014346700000000, -0.0001281200000000 ] - [ 0.0292012200000000, 0.0007023100000000, -0.0089083700000000 ] - [ 0.0162749300000000, 0.0095601700000000, -0.0047953100000000 ] - [ -0.0136821600000000, 0.0057210000000000, -0.0035050600000000 ] - [ 0.0015592300000000, -0.0002112200000000, -0.0005093800000000 ] - [ -0.0066788600000000, -0.0188222600000000, 0.0003980100000000 ] - [ -0.0066888700000000, 0.0161594700000000, -0.0004502300000000 ] - [ -0.0030489600000000, 0.0005456100000000, 0.0001353700000000 ] - [ -0.0030495200000000, 0.0005340400000000, 0.0001139600000000 ] - [ -0.0031242900000000, -0.0005790500000000, 0.0001672900000000 ] - [ -0.0029843900000000, -0.0004945900000000, 0.0000948700000000 ] - [ -0.0041270500000000, 0.0012348700000000, -0.0007735600000000 ] - [ -0.0039836700000000, 0.0008840400000000, -0.0008101400000000 ] - [ -0.0042123300000000, -0.0010950300000000, -0.0009105300000000 ] - [ -0.0039034900000000, -0.0010047100000000, -0.0007116900000000 ] - [ -0.0027245800000000, 0.0027770200000000, 0.0003617800000000 ] - [ -0.0022634200000000, -0.0020644900000000, 0.0001724700000000 ] - [ -0.0023866400000000, -0.0006764900000000, -0.0000033600000000 ] - [ -0.0024143200000000, 0.0003162400000000, -0.0000351600000000 ] - [ -0.0026677100000000, 0.0000398300000000, -0.0000486200000000 ] - [ -0.0020620700000000, 0.0002541400000000, -0.0000458100000000 ] - [ -0.0051755500000000, -0.0007200200000000, -0.0002775600000000 ] - [ -0.0009392800000000, 0.0004076700000000, -0.0001655100000000 ] - [ 0.0103287900000000, -0.0004958800000000, 0.0007235600000000 ] - [ 0.0009889100000000, 0.0024143800000000, -0.0004354300000000 ] - [ 0.0040365300000000, -0.0036219900000000, 0.0003042500000000 ] - [ -0.0005627200000000, 0.0024713200000000, -0.0014213200000000 ] - [ -0.0010170800000000, -0.0043358900000000, 0.0045977300000000 ] - [ 0.0011109700000000, 0.0063997200000000, -0.0019252100000000 ] - [ 0.0003786900000000, -0.0030584600000000, -0.0061445500000000 ] - [ -0.0101714400000000, -0.0050680400000000, 0.0008153900000000 ] - [ -0.0277246800000000, 0.0143422000000000, -0.0139959000000000 ] - [ -0.0043904000000000, 0.0038337100000000, 0.0003558800000000 ] - [ 0.0033667600000000, 0.0009245800000000, 0.0003326800000000 ] - [ 0.0036890200000000, 0.0003254100000000, 0.0002542700000000 ] - [ 0.0015700700000000, 0.0008412200000000, 0.0011953100000000 ] - [ 0.0038811300000000, -0.0035813800000000, 0.0001363900000000 ] - [ 0.0055095800000000, 0.0110798400000000, 0.0037170500000000 ] - [ -0.0007076500000000, -0.0055524000000000, -0.0037062200000000 ] - [ 0.0020594900000000, -0.0011047600000000, 0.0013396900000000 ] - [ 0.0010009300000000, 0.0004555300000000, 0.0001404900000000 ] - [ -0.0284472300000000, -0.0072611400000000, 0.0114482200000000 ] - [ -0.0036975700000000, -0.0024582900000000, 0.0004390000000000 ] - [ 0.0017504900000000, 0.0009691400000000, -0.0007569800000000 ] - [ 0.0008903000000000, -0.0013998200000000, 0.0004669300000000 ] - [ -0.0042595400000000, 0.0007389700000000, -0.0011916800000000 ] - [ -0.0126733700000000, -0.0035601300000000, 0.0006464100000000 ] - [ -0.0003501800000000, -0.0086447400000000, 0.0079203600000000 ] - [ -0.0113579900000000, 0.0057953000000000, 0.0037873000000000 ] - [ -0.0422340400000000, -0.0184780900000000, -0.0205283800000000 ] - [ -0.0044800400000000, -0.0029325700000000, 0.0007354900000000 ] - [ 0.0014428400000000, 0.0022198200000000, 0.0011841200000000 ] - [ 0.0012792600000000, -0.0005748600000000, -0.0003798600000000 ] - [ 0.0011656500000000, 0.0005177000000000, 0.0007042900000000 ] - [ 0.0018027700000000, -0.0008520300000000, -0.0003397000000000 ] - [ 0.0039985000000000, -0.0022573200000000, 0.0004653500000000 ] - [ 0.0021745000000000, 0.0007443000000000, 0.0004163000000000 ] - [ 0.0044001300000000, -0.0038455300000000, -0.0008654000000000 ] - [ -0.0008402900000000, 0.0023599800000000, 0.0017773600000000 ] - [ 0.0040796200000000, 0.0014723200000000, 0.0009047700000000 ] - [ 0.0039363300000000, 0.0016317300000000, 0.0008478600000000 ] - [ 0.0014173100000000, 0.0003947600000000, -0.0002295300000000 ] - [ 0.0013450400000000, 0.0006085200000000, -0.0002706500000000 ] - [ 0.0013451200000000, 0.0000883000000000, -0.0000630700000000 ] - [ 0.0012012000000000, -0.0001817700000000, 0.0000742600000000 ] - [ 0.0035132200000000, 0.0005600800000000, -0.0006519000000000 ] - [ 0.0035259300000000, 0.0005363200000000, -0.0006526000000000 ] - [ 0.0022989800000000, 0.0001675200000000, 0.0002093900000000 ] - [ 0.0021836200000000, 0.0001986600000000, 0.0002045800000000 ] - [ 0.0065412100000000, 0.0013375700000000, -0.0001010800000000 ] - [ 0.0001112900000000, -0.0003134100000000, -0.0000770700000000 ] - [ 0.0045397500000000, -0.0016997000000000, 0.0010664100000000 ] - [ 0.0036041300000000, -0.0014614200000000, 0.0007530400000000 ] - [ 0.0012755300000000, 0.0001872400000000, 0.0000943300000000 ] - [ 0.0012604600000000, -0.0000464500000000, -0.0000408900000000 ] - [ 0.0017428400000000, -0.0005711500000000, 0.0006233100000000 ] - [ 0.0012624700000000, 0.0002727600000000, 0.0004122300000000 ] - [ 0.0018558000000000, -0.0006704900000000, -0.0003347800000000 ] - [ 0.0018760100000000, -0.0005544000000000, -0.0002760000000000 ] - [ 0.0014560400000000, -0.0010765400000000, 0.0003950900000000 ] - [ 0.0013873900000000, 0.0001082100000000, -0.0001907200000000 ] - [ 0.0022893500000000, -0.0002101500000000, 0.0002320500000000 ] - [ 0.0021864000000000, -0.0001678100000000, 0.0001786100000000 ] - [ 0.0036656400000000, -0.0005828900000000, -0.0007235700000000 ] - [ 0.0034222000000000, -0.0005327900000000, -0.0006155100000000 ] - [ 0.0018922100000000, 0.0006566900000000, -0.0003245900000000 ] - [ 0.0018362100000000, 0.0005641400000000, -0.0002824500000000 ] - [ 0.0017370100000000, 0.0011270800000000, 0.0003647100000000 ] - [ 0.0010817000000000, -0.0001775400000000, -0.0001461100000000 ] - [ 0.0017906900000000, -0.0002879500000000, 0.0005055500000000 ] - [ 0.0013222400000000, 0.0005685000000000, 0.0005322900000000 ] - [ 0.0047786500000000, -0.0005206700000000, 0.0000893200000000 ] - [ 0.0029299800000000, -0.0007217000000000, 0.0002857300000000 ] - [ 0.0013417200000000, -0.0004114500000000, -0.0002449500000000 ] - [ 0.0014427200000000, -0.0006328100000000, -0.0003172500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0042926300000000, -0.0037311700000000, -0.0005473000000000 ] - [ 0.0016275000000000, 0.0039687600000000, 0.0002853600000000 ] - [ -0.0358140300000000, 0.0100517600000000, 0.0009642000000000 ] - [ 0.0157436300000000, 0.0045791700000000, 0.0015139800000000 ] - [ 0.0037742900000000, -0.0023643600000000, 0.0005357500000000 ] - [ -0.0064965600000000, 0.0021437600000000, -0.0004940500000000 ] - [ 0.0025040400000000, -0.0177411900000000, -0.0021514300000000 ] - [ 0.0041456300000000, 0.0130074900000000, 0.0003219400000000 ] - [ -0.0043508800000000, -0.0006342400000000, -0.0003321200000000 ] - [ 0.0004913700000000, 0.0004092500000000, -0.0001081300000000 ] - [ -0.0012202300000000, -0.0001346600000000, 0.0001248100000000 ] - [ -0.0005716900000000, 0.0003996800000000, 0.0000782700000000 ] - [ -0.0014209100000000, -0.0014120300000000, -0.0001605500000000 ] - [ -0.0015440200000000, 0.0014909200000000, -0.0001523000000000 ] - [ -0.0003866900000000, -0.0002250600000000, 0.0000623600000000 ] - [ -0.0014742700000000, -0.0000565500000000, 0.0001443600000000 ] - [ -0.0160580900000000, -0.1122099000000000, -0.0041459300000000 ] - [ 0.0016772100000000, 0.0129779300000000, -0.0014364900000000 ] - [ 0.0010303100000000, 0.0164784100000000, -0.0005570800000000 ] - [ 0.0097667200000000, 0.0225994800000000, -0.0032807700000000 ] - [ -0.0059928300000000, -0.0370038900000000, -0.0052129200000000 ] - [ -0.0000203500000000, 0.0095721100000000, -0.0000127700000000 ] - [ 0.0160528500000000, 0.0190429300000000, -0.0014228700000000 ] - [ -0.0190128800000000, 0.0189723400000000, 0.0009031300000000 ] - [ -0.0002918500000000, -0.0000809600000000, -0.0002483400000000 ] - [ -0.0003033600000000, -0.0000798900000000, -0.0002141400000000 ] - [ -0.0003366400000000, -0.0000474900000000, -0.0002299700000000 ] - [ -0.0002522300000000, 0.0002064600000000, -0.0002352100000000 ] - [ -0.0014741700000000, 0.0003787100000000, -0.0006174600000000 ] - [ -0.0011243600000000, 0.0004863000000000, -0.0003012700000000 ] - [ -0.0013341700000000, -0.0007430800000000, -0.0003548600000000 ] - [ -0.0012449000000000, -0.0001548600000000, -0.0005057200000000 ] - [ -0.0022362100000000, 0.0004139500000000, 0.0002798800000000 ] - [ 0.0014503200000000, 0.0003114400000000, -0.0002296900000000 ] - [ -0.0000825100000000, -0.0005500900000000, -0.0000500700000000 ] - [ -0.0009593200000000, 0.0001995000000000, -0.0000000400000000 ] - [ -0.0006939000000000, -0.0004728700000000, -0.0000284600000000 ] - [ -0.0003651300000000, 0.0008481800000000, -0.0000476700000000 ] - [ 0.0001276500000000, -0.0035669300000000, 0.0000356000000000 ] - [ -0.0006268300000000, 0.0026252100000000, -0.0001395500000000 ] - [ 0.0051151000000000, 0.0042534200000000, -0.0000879800000000 ] - [ -0.0029788100000000, -0.0043454200000000, 0.0007695900000000 ] - [ 0.0045674000000000, 0.0063454400000000, -0.0055943600000000 ] - [ -0.0019265100000000, -0.0039330400000000, 0.0028888100000000 ] - [ 0.0026164400000000, -0.0075345900000000, 0.0054282800000000 ] - [ -0.0021172600000000, 0.0045416700000000, -0.0031663000000000 ] - [ -0.0011924800000000, 0.0123852300000000, 0.0054852500000000 ] - [ -0.0063643500000000, -0.0077348600000000, -0.0007570900000000 ] - [ -0.0030828700000000, 0.0163060200000000, -0.0050484800000000 ] - [ -0.0006401600000000, -0.0073279000000000, 0.0005142200000000 ] - [ -0.0003226400000000, 0.0008775700000000, 0.0002876200000000 ] - [ 0.0022124900000000, 0.0003838000000000, 0.0001815600000000 ] - [ -0.0042577300000000, -0.0017763600000000, -0.0021174300000000 ] - [ 0.0079302600000000, 0.0009331100000000, 0.0038020600000000 ] - [ -0.0047222500000000, 0.0024312200000000, 0.0025891000000000 ] - [ 0.0010861400000000, -0.0079757600000000, -0.0050850100000000 ] - [ 0.0010386600000000, 0.0005065000000000, 0.0000166100000000 ] - [ -0.0002420700000000, -0.0002118800000000, 0.0003753900000000 ] - [ 0.0029443800000000, 0.0210428700000000, -0.0072043600000000 ] - [ 0.0005929500000000, -0.0082004900000000, 0.0006710900000000 ] - [ 0.0007736400000000, 0.0020534500000000, -0.0009772900000000 ] - [ 0.0002650200000000, -0.0025634600000000, 0.0012236400000000 ] - [ -0.0025931900000000, -0.0069546300000000, -0.0002294800000000 ] - [ 0.0053506100000000, 0.0014843400000000, -0.0064946200000000 ] - [ 0.0188394700000000, 0.0042784600000000, 0.0022496600000000 ] - [ -0.0095973100000000, -0.0048717100000000, 0.0020508400000000 ] - [ 0.0163968700000000, 0.0325910000000000, 0.0188348200000000 ] - [ -0.0012620100000000, -0.0079837700000000, -0.0005685000000000 ] - [ -0.0003439900000000, 0.0025076400000000, 0.0010600600000000 ] - [ 0.0012027900000000, -0.0020712300000000, -0.0007706500000000 ] - [ -0.0004687000000000, -0.0008503400000000, -0.0003407900000000 ] - [ 0.0011532400000000, 0.0005753900000000, 0.0006995700000000 ] - [ 0.0070410200000000, -0.0014563700000000, 0.0012531200000000 ] - [ -0.0032644100000000, -0.0002783500000000, -0.0002044600000000 ] - [ 0.0010314700000000, 0.0057433300000000, 0.0052553500000000 ] - [ -0.0011215600000000, -0.0036411700000000, -0.0023352600000000 ] - [ 0.0018971800000000, 0.0010302600000000, 0.0006183500000000 ] - [ 0.0004886400000000, 0.0005328500000000, 0.0001008600000000 ] - [ 0.0003408700000000, 0.0003446200000000, 0.0000006700000000 ] - [ 0.0001802200000000, 0.0001931900000000, 0.0000555500000000 ] - [ 0.0002753400000000, 0.0000075300000000, -0.0000635300000000 ] - [ 0.0002062400000000, -0.0004391400000000, 0.0001882600000000 ] - [ 0.0004310500000000, -0.0003203200000000, 0.0000031800000000 ] - [ 0.0007594900000000, -0.0002186800000000, -0.0001132600000000 ] - [ 0.0006871500000000, 0.0004523300000000, 0.0000373900000000 ] - [ 0.0006097400000000, 0.0002628100000000, -0.0000152300000000 ] - [ 0.0005362400000000, 0.0026047100000000, 0.0004602000000000 ] - [ 0.0003253000000000, -0.0009056300000000, 0.0000983400000000 ] - [ 0.0009642200000000, -0.0005301200000000, 0.0002656600000000 ] - [ 0.0011876200000000, -0.0009284700000000, 0.0003003300000000 ] - [ 0.0001571200000000, 0.0004405800000000, 0.0001710700000000 ] - [ 0.0003250200000000, -0.0000312700000000, -0.0000727500000000 ] - [ 0.0005325500000000, 0.0009809000000000, -0.0000075300000000 ] - [ 0.0001894400000000, -0.0006194700000000, 0.0002931700000000 ] - [ 0.0002772600000000, -0.0005080300000000, -0.0001010200000000 ] - [ 0.0002671000000000, -0.0003851200000000, -0.0001065200000000 ] - [ 0.0008735300000000, -0.0010807100000000, 0.0004812500000000 ] - [ -0.0000571300000000, 0.0003290700000000, -0.0001774100000000 ] - [ 0.0007227500000000, -0.0002507200000000, 0.0000273800000000 ] - [ 0.0005812900000000, -0.0004397900000000, -0.0000045100000000 ] - [ 0.0006569900000000, 0.0002966600000000, -0.0000873000000000 ] - [ 0.0005114400000000, 0.0002503800000000, -0.0000115700000000 ] - [ 0.0002941900000000, 0.0005285300000000, -0.0001550300000000 ] - [ 0.0002559600000000, 0.0003613400000000, -0.0000577300000000 ] - [ 0.0001732400000000, 0.0007746800000000, 0.0004058800000000 ] - [ 0.0004665300000000, -0.0002838500000000, -0.0002646900000000 ] - [ 0.0005485100000000, 0.0007803600000000, 0.0004506800000000 ] - [ 0.0001006800000000, -0.0009039700000000, -0.0000015200000000 ] - [ 0.0015604900000000, -0.0001970700000000, 0.0001806900000000 ] - [ 0.0000932600000000, -0.0010906200000000, 0.0003363900000000 ] - [ 0.0001882500000000, -0.0003374800000000, 0.0000289100000000 ] - [ 0.0003226700000000, -0.0001839900000000, 0.0000482700000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0035594300000000, 0.0038474100000000, 0.0004529700000000 ] - [ -0.0023457100000000, -0.0038480600000000, -0.0003787700000000 ] - [ 0.0362173500000000, -0.0099253000000000, -0.0010623400000000 ] - [ -0.0151459800000000, -0.0043736700000000, -0.0016076100000000 ] - [ -0.0045118500000000, 0.0022436900000000, -0.0006305100000000 ] - [ 0.0057666800000000, -0.0022550700000000, 0.0004061400000000 ] - [ -0.0014514100000000, 0.0176555500000000, 0.0020238900000000 ] - [ -0.0034414400000000, -0.0131129200000000, -0.0004090900000000 ] - [ 0.0036118000000000, 0.0007465800000000, 0.0002376500000000 ] - [ -0.0012253700000000, -0.0002791200000000, 0.0000141800000000 ] - [ 0.0019503100000000, 0.0002559300000000, -0.0002170900000000 ] - [ 0.0012999200000000, -0.0002798100000000, -0.0001695200000000 ] - [ 0.0007067100000000, 0.0012845400000000, 0.0000687000000000 ] - [ 0.0008041500000000, -0.0016084300000000, 0.0000587200000000 ] - [ 0.0011157000000000, 0.0001053400000000, -0.0001525600000000 ] - [ 0.0022012300000000, -0.0000660500000000, -0.0002358300000000 ] - [ 0.0148586600000000, 0.1108460600000000, 0.0022839100000000 ] - [ -0.0006484100000000, -0.0135085700000000, 0.0007631400000000 ] - [ 0.0000528600000000, -0.0159590800000000, -0.0001970600000000 ] - [ -0.0087274000000000, -0.0221097400000000, 0.0025688700000000 ] - [ 0.0049283000000000, 0.0375839500000000, 0.0045289300000000 ] - [ -0.0009747400000000, -0.0090518800000000, -0.0006593800000000 ] - [ -0.0168955200000000, -0.0195096000000000, 0.0007742000000000 ] - [ 0.0181623700000000, -0.0195807500000000, -0.0015357200000000 ] - [ 0.0013062700000000, -0.0004466700000000, -0.0004243700000000 ] - [ 0.0013174200000000, -0.0004430000000000, -0.0004601300000000 ] - [ 0.0013517600000000, 0.0005722300000000, -0.0004448000000000 ] - [ 0.0012652600000000, 0.0003180400000000, -0.0004405100000000 ] - [ 0.0004576200000000, 0.0001372000000000, -0.0000604000000000 ] - [ 0.0001087300000000, 0.0000364900000000, -0.0003737500000000 ] - [ 0.0003188600000000, 0.0002230400000000, -0.0003185600000000 ] - [ 0.0002286800000000, -0.0003645300000000, -0.0001699200000000 ] - [ 0.0022344200000000, -0.0001023500000000, -0.0003421900000000 ] - [ -0.0014472400000000, 0.0000340400000000, 0.0001656000000000 ] - [ 0.0000812900000000, 0.0002212500000000, -0.0000111400000000 ] - [ 0.0009567100000000, -0.0005277600000000, -0.0000641900000000 ] - [ 0.0006922500000000, 0.0008009600000000, -0.0000354100000000 ] - [ 0.0003646200000000, -0.0005181000000000, -0.0000176000000000 ] - [ -0.0001147500000000, 0.0032372100000000, -0.0001018700000000 ] - [ 0.0006150800000000, -0.0029495800000000, 0.0000758900000000 ] - [ -0.0045884900000000, -0.0032428400000000, 0.0003387900000000 ] - [ 0.0034932300000000, 0.0053680100000000, -0.0005177500000000 ] - [ -0.0046779300000000, -0.0059099000000000, 0.0057879600000000 ] - [ 0.0018071300000000, 0.0042999200000000, -0.0026480000000000 ] - [ -0.0027203200000000, 0.0070051300000000, -0.0052771900000000 ] - [ 0.0019895500000000, -0.0051257100000000, 0.0033432900000000 ] - [ 0.0004696700000000, -0.0134103800000000, -0.0050374800000000 ] - [ 0.0058525100000000, 0.0067191900000000, 0.0010102800000000 ] - [ 0.0042091200000000, -0.0163894900000000, 0.0056876000000000 ] - [ 0.0009813700000000, 0.0081250700000000, -0.0006178500000000 ] - [ 0.0003208200000000, 0.0003595900000000, 0.0002203200000000 ] - [ -0.0022114300000000, 0.0008517100000000, 0.0003262100000000 ] - [ 0.0047979700000000, 0.0007704700000000, 0.0023707600000000 ] - [ -0.0073803900000000, -0.0019710000000000, -0.0035498000000000 ] - [ 0.0045773700000000, -0.0019927600000000, -0.0024773600000000 ] - [ -0.0011928300000000, 0.0084786800000000, 0.0052215200000000 ] - [ -0.0009090800000000, -0.0001311200000000, 0.0002271800000000 ] - [ 0.0003697400000000, 0.0005929900000000, -0.0001365200000000 ] - [ -0.0030007500000000, -0.0215444900000000, 0.0067209300000000 ] - [ -0.0009793400000000, 0.0074052900000000, -0.0007607600000000 ] - [ -0.0006572200000000, -0.0025762500000000, 0.0011162700000000 ] - [ -0.0001461100000000, 0.0020355600000000, -0.0010775000000000 ] - [ 0.0029400100000000, 0.0061646300000000, 0.0001516400000000 ] - [ -0.0048593700000000, -0.0025257000000000, 0.0063043000000000 ] - [ -0.0194810100000000, -0.0025155800000000, -0.0021368000000000 ] - [ 0.0091867500000000, 0.0059363200000000, -0.0017693800000000 ] - [ -0.0157747000000000, -0.0309690500000000, -0.0179991900000000 ] - [ 0.0008692500000000, 0.0087661900000000, 0.0004673700000000 ] - [ 0.0004634600000000, -0.0019789900000000, -0.0009130500000000 ] - [ -0.0010840000000000, 0.0025932900000000, 0.0009124100000000 ] - [ 0.0005980400000000, 0.0004741600000000, 0.0005838200000000 ] - [ -0.0010240300000000, -0.0009571400000000, -0.0004616100000000 ] - [ -0.0070029400000000, 0.0002318700000000, -0.0007373300000000 ] - [ 0.0032750700000000, -0.0009646100000000, 0.0007165200000000 ] - [ -0.0011816800000000, -0.0060345200000000, -0.0049472800000000 ] - [ 0.0010034000000000, 0.0032542700000000, 0.0025780400000000 ] - [ -0.0013759700000000, -0.0000054900000000, -0.0003631300000000 ] - [ 0.0000323900000000, 0.0004883300000000, 0.0001537200000000 ] - [ -0.0004686900000000, 0.0000371300000000, 0.0002371100000000 ] - [ -0.0003069000000000, 0.0001906100000000, 0.0001806900000000 ] - [ -0.0003945800000000, -0.0005313300000000, 0.0002093400000000 ] - [ -0.0003256100000000, -0.0000822300000000, -0.0000434400000000 ] - [ -0.0009517300000000, -0.0006993100000000, 0.0002514600000000 ] - [ -0.0012769300000000, -0.0008022000000000, 0.0003666000000000 ] - [ -0.0003136600000000, 0.0003427000000000, -0.0001308200000000 ] - [ -0.0002348700000000, 0.0005324200000000, -0.0000779800000000 ] - [ -0.0005908700000000, -0.0013690700000000, 0.0000441700000000 ] - [ -0.0003132900000000, 0.0021418600000000, 0.0004097700000000 ] - [ -0.0004378000000000, -0.0004929900000000, -0.0000125800000000 ] - [ -0.0006587100000000, -0.0000967300000000, -0.0000449100000000 ] - [ -0.0002765200000000, 0.0000754800000000, -0.0000321600000000 ] - [ -0.0004444700000000, 0.0005468600000000, 0.0002117100000000 ] - [ -0.0004029800000000, -0.0006007400000000, 0.0002505100000000 ] - [ -0.0000573500000000, 0.0009887700000000, -0.0000467400000000 ] - [ -0.0006501500000000, -0.0002895300000000, 0.0000081200000000 ] - [ -0.0006420000000000, -0.0004116600000000, 0.0000121100000000 ] - [ -0.0007518600000000, 0.0005623400000000, -0.0003399800000000 ] - [ 0.0001765200000000, -0.0008529000000000, 0.0003202500000000 ] - [ -0.0003480100000000, -0.0005425100000000, -0.0001197300000000 ] - [ -0.0002069600000000, -0.0003554000000000, -0.0000876900000000 ] - [ -0.0011823900000000, 0.0007246900000000, 0.0003408100000000 ] - [ -0.0010323800000000, 0.0007704500000000, 0.0002641200000000 ] - [ -0.0006697800000000, 0.0002656900000000, 0.0000607800000000 ] - [ -0.0006287900000000, 0.0004353500000000, -0.0000374300000000 ] - [ -0.0000552100000000, -0.0002541800000000, -0.0002621600000000 ] - [ -0.0003440200000000, 0.0008112300000000, 0.0004103800000000 ] - [ -0.0004175100000000, -0.0011530000000000, -0.0002072000000000 ] - [ 0.0000304800000000, 0.0005199200000000, 0.0002428200000000 ] - [ -0.0015555900000000, -0.0010401100000000, 0.0003276600000000 ] - [ -0.0000953800000000, -0.0001458600000000, 0.0001725700000000 ] - [ -0.0003146200000000, -0.0000398900000000, 0.0002123100000000 ] - [ -0.0004512700000000, -0.0001909800000000, 0.0001961800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016227100000000, -0.0003226500000000, -0.0002933200000000 ] - [ 0.0004569900000000, 0.0001941800000000, -0.0000350200000000 ] - [ 0.0144795400000000, 0.0018364000000000, -0.0023095100000000 ] - [ 0.0030394900000000, -0.0054374100000000, -0.0010435400000000 ] - [ -0.0014830200000000, -0.0007347000000000, -0.0000699200000000 ] - [ -0.0023042500000000, 0.0007817600000000, -0.0003404500000000 ] - [ -0.0296769500000000, -0.0047442600000000, 0.0092051600000000 ] - [ 0.0023573000000000, -0.0025144000000000, -0.0006366600000000 ] - [ -0.0001044200000000, 0.0009599100000000, -0.0000710500000000 ] - [ -0.0013572100000000, -0.0008299000000000, -0.0001121600000000 ] - [ -0.0004663000000000, 0.0001109400000000, 0.0000322700000000 ] - [ -0.0002514500000000, 0.0000791600000000, 0.0000220600000000 ] - [ -0.0028361700000000, 0.0006509800000000, -0.0003233400000000 ] - [ -0.0002958400000000, -0.0004849000000000, -0.0000882900000000 ] - [ -0.0004220100000000, -0.0001741000000000, 0.0000413600000000 ] - [ -0.0004312300000000, -0.0000376900000000, 0.0000378300000000 ] - [ -0.0264985400000000, -0.0039452300000000, -0.0956375200000000 ] - [ 0.0002887000000000, -0.0013677700000000, -0.0015446200000000 ] - [ 0.0091300000000000, 0.0006183300000000, 0.0322130300000000 ] - [ 0.0049752300000000, 0.0031437600000000, 0.0123190900000000 ] - [ -0.0035259200000000, 0.0051226800000000, 0.0339014800000000 ] - [ -0.0006800500000000, -0.0000673000000000, 0.0004631400000000 ] - [ -0.0006439700000000, 0.0009428100000000, -0.0141701900000000 ] - [ 0.0002079400000000, -0.0013457000000000, -0.0141770500000000 ] - [ 0.0000581500000000, -0.0001417200000000, -0.0002709500000000 ] - [ 0.0000366000000000, -0.0001742300000000, -0.0002716300000000 ] - [ 0.0000047800000000, 0.0001559500000000, -0.0002614300000000 ] - [ 0.0000764700000000, 0.0001613600000000, -0.0002957900000000 ] - [ -0.0009473200000000, 0.0005394100000000, -0.0002891500000000 ] - [ -0.0009832000000000, 0.0002244400000000, -0.0004511400000000 ] - [ -0.0010846700000000, -0.0002777300000000, -0.0005403000000000 ] - [ -0.0008835400000000, -0.0004286200000000, -0.0003165200000000 ] - [ 0.0000299300000000, 0.0013276200000000, 0.0000508700000000 ] - [ -0.0004509800000000, -0.0010893000000000, -0.0000700100000000 ] - [ -0.0002873500000000, -0.0002778300000000, -0.0000424500000000 ] - [ -0.0002936900000000, -0.0000170200000000, -0.0000725300000000 ] - [ -0.0004242300000000, 0.0001449300000000, 0.0000044700000000 ] - [ -0.0002348000000000, 0.0001744500000000, -0.0000145000000000 ] - [ -0.0007942900000000, 0.0003638900000000, -0.0002006300000000 ] - [ 0.0004622400000000, -0.0007939300000000, 0.0000156000000000 ] - [ 0.0014858900000000, 0.0002132500000000, 0.0002496600000000 ] - [ -0.0007277100000000, -0.0007596700000000, -0.0000445300000000 ] - [ 0.0003542200000000, -0.0045461800000000, 0.0046500400000000 ] - [ -0.0002059200000000, 0.0015879400000000, -0.0005813600000000 ] - [ -0.0011946700000000, 0.0004769000000000, -0.0007508200000000 ] - [ -0.0003158200000000, 0.0045319200000000, -0.0041663800000000 ] - [ 0.0119618700000000, 0.0002256000000000, 0.0003284200000000 ] - [ -0.0013340200000000, -0.0012122600000000, 0.0005364400000000 ] - [ 0.0085581700000000, -0.0110142400000000, 0.0183865800000000 ] - [ 0.0000832600000000, -0.0013193300000000, 0.0001176700000000 ] - [ 0.0005641600000000, 0.0006802500000000, 0.0002559000000000 ] - [ 0.0005395800000000, 0.0005419800000000, 0.0002465800000000 ] - [ 0.0009659000000000, -0.0006780000000000, 0.0009883800000000 ] - [ 0.0015512700000000, -0.0019392800000000, -0.0005252400000000 ] - [ 0.0020619500000000, 0.0044406200000000, 0.0048443400000000 ] - [ -0.0011147100000000, 0.0014947500000000, 0.0012481100000000 ] - [ 0.0002835600000000, 0.0001366400000000, 0.0001377500000000 ] - [ 0.0001237200000000, 0.0005094000000000, -0.0001268600000000 ] - [ -0.0020871400000000, 0.0027937800000000, -0.0011835200000000 ] - [ -0.0004377600000000, -0.0019748500000000, 0.0003077900000000 ] - [ 0.0004845600000000, 0.0000624400000000, 0.0000280100000000 ] - [ 0.0000742300000000, -0.0006991200000000, 0.0004771200000000 ] - [ -0.0004460300000000, 0.0016342600000000, -0.0005022500000000 ] - [ 0.0046718700000000, -0.0108973700000000, -0.0045648100000000 ] - [ -0.0108547100000000, 0.0088460700000000, 0.0018413000000000 ] - [ -0.0031879700000000, 0.0003238300000000, 0.0001291400000000 ] - [ 0.0170674900000000, 0.0155945300000000, 0.0239881200000000 ] - [ -0.0003080700000000, 0.0023354400000000, -0.0000847500000000 ] - [ 0.0001426000000000, 0.0007062100000000, 0.0001852700000000 ] - [ 0.0000323800000000, -0.0000236000000000, -0.0004097400000000 ] - [ 0.0002044400000000, 0.0001556900000000, 0.0004331300000000 ] - [ 0.0004704900000000, -0.0000779600000000, 0.0002849200000000 ] - [ -0.0020990500000000, -0.0008444500000000, -0.0002011800000000 ] - [ 0.0007818000000000, -0.0000078100000000, 0.0002704000000000 ] - [ 0.0014233200000000, -0.0050418200000000, -0.0059090300000000 ] - [ -0.0004357500000000, 0.0012725300000000, 0.0009888700000000 ] - [ 0.0004194900000000, 0.0004703100000000, 0.0000820600000000 ] - [ 0.0008820400000000, 0.0007718400000000, 0.0002508000000000 ] - [ 0.0001340300000000, 0.0002082800000000, 0.0000661800000000 ] - [ 0.0001137400000000, 0.0002727200000000, 0.0000559900000000 ] - [ 0.0001368900000000, -0.0002105800000000, 0.0000536000000000 ] - [ 0.0000890500000000, -0.0002788600000000, 0.0000868900000000 ] - [ 0.0002518500000000, -0.0003655200000000, 0.0000177300000000 ] - [ 0.0002473500000000, -0.0003718900000000, 0.0000222800000000 ] - [ 0.0004878400000000, 0.0003061100000000, -0.0000194800000000 ] - [ 0.0004313900000000, 0.0004075800000000, -0.0000046400000000 ] - [ 0.0051792600000000, 0.0007976300000000, 0.0007398300000000 ] - [ -0.0008178100000000, 0.0007181200000000, 0.0002536900000000 ] - [ 0.0013288600000000, -0.0008756600000000, 0.0004959100000000 ] - [ 0.0004624700000000, -0.0005207400000000, 0.0001514800000000 ] - [ 0.0001172600000000, 0.0002521500000000, 0.0000708500000000 ] - [ 0.0001097500000000, 0.0002004800000000, 0.0000465100000000 ] - [ 0.0003347000000000, -0.0005370200000000, 0.0004622500000000 ] - [ 0.0001461700000000, 0.0006094700000000, 0.0000439300000000 ] - [ 0.0000742900000000, -0.0004523300000000, -0.0001040200000000 ] - [ 0.0000978600000000, -0.0003915500000000, -0.0000566100000000 ] - [ 0.0000158000000000, -0.0002923300000000, 0.0000603800000000 ] - [ 0.0003599100000000, -0.0000348100000000, -0.0000798000000000 ] - [ 0.0004685500000000, -0.0004339600000000, 0.0000087900000000 ] - [ 0.0004420200000000, -0.0003301500000000, -0.0000298300000000 ] - [ 0.0002637000000000, 0.0003685100000000, 0.0000110300000000 ] - [ 0.0001984600000000, 0.0003787300000000, 0.0000442500000000 ] - [ 0.0000993200000000, 0.0004390900000000, -0.0000735000000000 ] - [ 0.0000618700000000, 0.0004195500000000, -0.0000828000000000 ] - [ 0.0005399400000000, 0.0006438000000000, 0.0003016200000000 ] - [ 0.0000137500000000, 0.0001531000000000, 0.0000643000000000 ] - [ 0.0002825300000000, -0.0007823500000000, -0.0000955900000000 ] - [ 0.0001781400000000, 0.0003136500000000, 0.0002343200000000 ] - [ 0.0006706400000000, -0.0005844300000000, 0.0002244700000000 ] - [ 0.0001698600000000, -0.0006779300000000, 0.0003044100000000 ] - [ 0.0001129500000000, -0.0001907300000000, 0.0000919100000000 ] - [ 0.0001394400000000, -0.0002549300000000, 0.0000706400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0008847600000000, 0.0004410100000000, 0.0001962500000000 ] - [ -0.0011722100000000, -0.0000806400000000, -0.0000603600000000 ] - [ -0.0135548300000000, -0.0017089700000000, 0.0021976000000000 ] - [ -0.0022691400000000, 0.0055395300000000, 0.0010095400000000 ] - [ 0.0007430100000000, 0.0006140700000000, -0.0000279700000000 ] - [ 0.0015787000000000, -0.0008900000000000, 0.0002469900000000 ] - [ 0.0299038800000000, 0.0045197800000000, -0.0092989000000000 ] - [ -0.0016280600000000, 0.0023671400000000, 0.0005422900000000 ] - [ -0.0006147500000000, -0.0008337300000000, -0.0000252100000000 ] - [ 0.0006262300000000, 0.0009392600000000, 0.0000151400000000 ] - [ 0.0011868400000000, 0.0000060300000000, -0.0001290300000000 ] - [ 0.0009723800000000, 0.0000366200000000, -0.0001164300000000 ] - [ 0.0020824500000000, -0.0007591000000000, 0.0002262800000000 ] - [ -0.0004254400000000, 0.0003628200000000, -0.0000077300000000 ] - [ 0.0011439100000000, 0.0000567000000000, -0.0001339600000000 ] - [ 0.0011535400000000, -0.0000779900000000, -0.0001320100000000 ] - [ 0.0257277600000000, 0.0024887700000000, 0.0937088700000000 ] - [ 0.0007066300000000, 0.0008348100000000, 0.0008673600000000 ] - [ -0.0080122700000000, 0.0002588800000000, -0.0328773600000000 ] - [ -0.0039366500000000, -0.0027043200000000, -0.0130213300000000 ] - [ 0.0028145000000000, -0.0046185400000000, -0.0346519100000000 ] - [ -0.0003271000000000, 0.0005818800000000, -0.0011466100000000 ] - [ -0.0003959000000000, -0.0014950800000000, 0.0135409800000000 ] - [ -0.0012335000000000, 0.0008527500000000, 0.0135344700000000 ] - [ 0.0009497200000000, -0.0003852900000000, -0.0004032200000000 ] - [ 0.0009706800000000, -0.0003501900000000, -0.0004037100000000 ] - [ 0.0010027300000000, 0.0003689500000000, -0.0004140900000000 ] - [ 0.0009306600000000, 0.0003635000000000, -0.0003808700000000 ] - [ -0.0000655000000000, -0.0000171500000000, -0.0003871900000000 ] - [ -0.0000293200000000, 0.0002968800000000, -0.0002258700000000 ] - [ 0.0000707400000000, -0.0002426300000000, -0.0001371800000000 ] - [ -0.0001276200000000, -0.0000939300000000, -0.0003592000000000 ] - [ -0.0000289700000000, -0.0009848700000000, -0.0001190500000000 ] - [ 0.0004440700000000, 0.0013997600000000, -0.0000037700000000 ] - [ 0.0002848500000000, -0.0000505200000000, -0.0000215600000000 ] - [ 0.0002912000000000, -0.0003098500000000, 0.0000061400000000 ] - [ 0.0004213100000000, 0.0001832200000000, -0.0000705100000000 ] - [ 0.0002330600000000, 0.0001539800000000, -0.0000530400000000 ] - [ 0.0007960300000000, -0.0006925300000000, 0.0001415900000000 ] - [ -0.0004555600000000, 0.0004593000000000, -0.0000800500000000 ] - [ -0.0009498900000000, 0.0008035100000000, 0.0000039500000000 ] - [ 0.0012498800000000, 0.0017729000000000, 0.0003059500000000 ] - [ -0.0004702900000000, 0.0048459100000000, -0.0043174900000000 ] - [ 0.0000805000000000, -0.0012013200000000, 0.0008184700000000 ] - [ 0.0010556700000000, -0.0009740700000000, 0.0008676500000000 ] - [ 0.0002132800000000, -0.0049683100000000, 0.0042444200000000 ] - [ -0.0125889200000000, -0.0011462500000000, 0.0010824700000000 ] - [ 0.0008115600000000, 0.0001978900000000, -0.0002806300000000 ] - [ -0.0077038500000000, 0.0112119000000000, -0.0180205900000000 ] - [ 0.0002830700000000, 0.0021209800000000, -0.0002060400000000 ] - [ -0.0005630900000000, 0.0005578700000000, 0.0002555000000000 ] - [ -0.0005404800000000, 0.0006942700000000, 0.0002647300000000 ] - [ -0.0004096100000000, -0.0003307300000000, -0.0007389000000000 ] - [ -0.0009981000000000, 0.0009024800000000, 0.0007722900000000 ] - [ -0.0022179100000000, -0.0039117000000000, -0.0046198300000000 ] - [ 0.0009895500000000, -0.0009582700000000, -0.0010864300000000 ] - [ -0.0001567600000000, 0.0002385500000000, 0.0001055600000000 ] - [ 0.0000006500000000, -0.0001235500000000, 0.0003619600000000 ] - [ 0.0022116700000000, -0.0031273400000000, 0.0003936100000000 ] - [ 0.0000632900000000, 0.0011901500000000, -0.0004013600000000 ] - [ -0.0003631500000000, -0.0005828100000000, 0.0001159000000000 ] - [ 0.0000448900000000, 0.0001740900000000, -0.0003274900000000 ] - [ 0.0007995400000000, -0.0024359300000000, 0.0003964200000000 ] - [ -0.0042141800000000, 0.0100037400000000, 0.0042350500000000 ] - [ 0.0101881200000000, -0.0076954800000000, -0.0017156400000000 ] - [ 0.0026274000000000, 0.0006936600000000, 0.0001173800000000 ] - [ -0.0166018400000000, -0.0139727700000000, -0.0234065800000000 ] - [ -0.0000660500000000, -0.0015348200000000, -0.0000057900000000 ] - [ -0.0000218600000000, -0.0001789000000000, -0.0000378600000000 ] - [ 0.0000842200000000, 0.0005451300000000, 0.0005520900000000 ] - [ -0.0000787800000000, -0.0005325500000000, -0.0001895600000000 ] - [ -0.0003456400000000, -0.0003089200000000, -0.0000492900000000 ] - [ 0.0020778200000000, -0.0003961200000000, 0.0007057000000000 ] - [ -0.0007801500000000, -0.0012220800000000, 0.0002357200000000 ] - [ -0.0015240800000000, 0.0046080700000000, 0.0060854500000000 ] - [ 0.0003058200000000, -0.0016462100000000, -0.0007515800000000 ] - [ 0.0001054100000000, 0.0005523500000000, 0.0001726400000000 ] - [ -0.0003491400000000, 0.0002531500000000, 0.0000057200000000 ] - [ -0.0002564000000000, 0.0001758000000000, 0.0001692600000000 ] - [ -0.0002358100000000, 0.0001133600000000, 0.0001791400000000 ] - [ -0.0002553500000000, -0.0003123700000000, 0.0000943600000000 ] - [ -0.0002080800000000, -0.0002428400000000, 0.0000605800000000 ] - [ -0.0007778200000000, -0.0006552900000000, 0.0002383800000000 ] - [ -0.0007705700000000, -0.0006497700000000, 0.0002328800000000 ] - [ -0.0001136800000000, 0.0004884500000000, -0.0000725700000000 ] - [ -0.0000572300000000, 0.0003884800000000, -0.0000869500000000 ] - [ -0.0051223000000000, 0.0004472600000000, -0.0002052800000000 ] - [ 0.0008070900000000, 0.0005203900000000, 0.0002580500000000 ] - [ -0.0007820300000000, -0.0001535400000000, -0.0002353000000000 ] - [ 0.0000699000000000, -0.0005036600000000, 0.0001046900000000 ] - [ -0.0002357700000000, 0.0002632500000000, 0.0000705000000000 ] - [ -0.0002285900000000, 0.0003147000000000, 0.0000949800000000 ] - [ -0.0002077200000000, 0.0009058700000000, -0.0002144700000000 ] - [ -0.0000207200000000, -0.0002262600000000, 0.0001982300000000 ] - [ -0.0004446100000000, -0.0003458200000000, 0.0000118900000000 ] - [ -0.0004700000000000, -0.0004052600000000, -0.0000359200000000 ] - [ 0.0001014800000000, -0.0002256700000000, 0.0000828400000000 ] - [ -0.0002380100000000, -0.0004814200000000, 0.0002203200000000 ] - [ -0.0000940500000000, -0.0003611000000000, -0.0000994600000000 ] - [ -0.0000680800000000, -0.0004643900000000, -0.0000614700000000 ] - [ -0.0007959100000000, 0.0006539600000000, 0.0002439200000000 ] - [ -0.0007274900000000, 0.0006436200000000, 0.0002106000000000 ] - [ -0.0004724100000000, 0.0003562900000000, -0.0000190200000000 ] - [ -0.0004326800000000, 0.0003774000000000, -0.0000102600000000 ] - [ -0.0004158700000000, -0.0001157400000000, -0.0001502700000000 ] - [ 0.0001036000000000, 0.0003697900000000, 0.0000829100000000 ] - [ -0.0001573800000000, 0.0003925600000000, 0.0003296400000000 ] - [ -0.0000545900000000, -0.0006914700000000, 0.0000040400000000 ] - [ -0.0006621100000000, -0.0006544200000000, 0.0002871800000000 ] - [ -0.0001698300000000, -0.0005594600000000, 0.0002081100000000 ] - [ -0.0002354200000000, -0.0001880700000000, 0.0001482400000000 ] - [ -0.0002630000000000, -0.0001233900000000, 0.0001712400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0034472600000000, 0.0002263800000000, 0.0003718200000000 ] - [ 0.0034838500000000, 0.0003059400000000, 0.0003787300000000 ] - [ 0.0020615000000000, 0.0049348200000000, 0.0054571200000000 ] - [ -0.0053642600000000, 0.0000896700000000, 0.0019288500000000 ] - [ 0.0035142700000000, -0.0002758800000000, 0.0003847900000000 ] - [ 0.0034033000000000, -0.0002540000000000, 0.0003701500000000 ] - [ 0.0009321400000000, -0.0271202000000000, -0.0054983300000000 ] - [ -0.0046204000000000, 0.0282242800000000, -0.0050437500000000 ] - [ 0.0014475100000000, -0.0048176000000000, -0.0054406000000000 ] - [ -0.0060958200000000, 0.0000109200000000, -0.0020010800000000 ] - [ 0.0041872100000000, -0.0001167800000000, -0.0004515900000000 ] - [ 0.0042233700000000, -0.0001945400000000, -0.0004593800000000 ] - [ 0.0001897900000000, 0.0268566600000000, 0.0053855300000000 ] - [ -0.0052066400000000, -0.0281201600000000, 0.0049057100000000 ] - [ 0.0042545600000000, 0.0001650500000000, -0.0004650800000000 ] - [ 0.0041422500000000, 0.0001428900000000, -0.0004493700000000 ] - [ 0.0032191600000000, -0.0024966600000000, -0.0003090400000000 ] - [ 0.0027600100000000, 0.0011919600000000, -0.0007841900000000 ] - [ 0.0056691900000000, 0.0001361700000000, -0.0011314500000000 ] - [ 0.0014359900000000, 0.0008800100000000, 0.0001211000000000 ] - [ 0.0019071500000000, -0.0006991200000000, -0.0000458000000000 ] - [ 0.0018806900000000, 0.0001787600000000, -0.0000522200000000 ] - [ 0.0021635800000000, 0.0004342800000000, 0.0000854600000000 ] - [ 0.0015535700000000, 0.0001049800000000, -0.0001048800000000 ] - [ 0.0031659600000000, -0.0009538900000000, -0.0007605100000000 ] - [ 0.0025582700000000, -0.0006253500000000, -0.0005715500000000 ] - [ 0.0029104500000000, 0.0012164800000000, -0.0006301200000000 ] - [ 0.0028840300000000, 0.0003437100000000, -0.0006241100000000 ] - [ 0.0046400100000000, 0.0003781300000000, 0.0004591400000000 ] - [ 0.0004386000000000, -0.0003642400000000, -0.0007962200000000 ] - [ 0.0022207400000000, 0.0019750600000000, -0.0003681600000000 ] - [ 0.0017589900000000, -0.0017035000000000, 0.0001100900000000 ] - [ -0.0632363900000000, 0.0003306200000000, -0.0001759300000000 ] - [ -0.0063052200000000, 0.0001529900000000, -0.0000378600000000 ] - [ 0.0016069100000000, -0.0001658000000000, -0.0000328300000000 ] - [ 0.0015863300000000, -0.0001661500000000, -0.0000339000000000 ] - [ 0.0015966300000000, 0.0001658100000000, -0.0000339300000000 ] - [ 0.0015965200000000, 0.0001665700000000, -0.0000343400000000 ] - [ -0.0139372700000000, -0.0001526000000000, -0.0000289000000000 ] - [ -0.0110037300000000, -0.0002017000000000, -0.0000179400000000 ] - [ -0.0022434400000000, -0.0000958600000000, -0.0004240600000000 ] - [ -0.0023311200000000, -0.0003060400000000, -0.0003849800000000 ] - [ 0.0068422500000000, -0.0009520200000000, 0.0013234100000000 ] - [ 0.0034820200000000, -0.0016604300000000, 0.0009408900000000 ] - [ 0.0023229100000000, -0.0102367100000000, 0.0024102300000000 ] - [ 0.0020396500000000, 0.0048172700000000, -0.0018564300000000 ] - [ -0.0015220700000000, 0.0005450100000000, 0.0004117500000000 ] - [ -0.0020996000000000, -0.0021122700000000, 0.0005125700000000 ] - [ -0.0011089100000000, 0.0009911200000000, -0.0004282800000000 ] - [ -0.0012220500000000, 0.0000679000000000, 0.0000450900000000 ] - [ -0.0024880600000000, 0.0006189500000000, 0.0002548600000000 ] - [ -0.0024457900000000, 0.0006189400000000, 0.0002552500000000 ] - [ -0.0023091300000000, 0.0001289100000000, -0.0004638600000000 ] - [ -0.0022378600000000, 0.0002634600000000, -0.0003532600000000 ] - [ 0.0023138000000000, 0.0025866000000000, 0.0023403100000000 ] - [ 0.0013802500000000, -0.0051326200000000, 0.0009807300000000 ] - [ -0.0008993000000000, 0.0004094300000000, -0.0001406400000000 ] - [ -0.0009095500000000, 0.0003978200000000, -0.0001327700000000 ] - [ -0.0019073700000000, 0.0002525000000000, -0.0001998100000000 ] - [ -0.0011588300000000, -0.0006735800000000, 0.0001659400000000 ] - [ -0.0008287800000000, -0.0001054600000000, 0.0000257300000000 ] - [ -0.0008316400000000, -0.0001443000000000, 0.0000423900000000 ] - [ -0.0014587800000000, -0.0010000800000000, -0.0004261700000000 ] - [ -0.0009665200000000, -0.0001446100000000, -0.0001282900000000 ] - [ -0.0034686600000000, 0.0014183900000000, -0.0000561000000000 ] - [ 0.0008194200000000, 0.0000207800000000, -0.0003047200000000 ] - [ -0.0018293300000000, 0.0007687100000000, 0.0004472800000000 ] - [ -0.0012550900000000, -0.0001874800000000, -0.0001685800000000 ] - [ -0.0008429700000000, 0.0001454600000000, 0.0000374500000000 ] - [ -0.0008190500000000, 0.0001068000000000, 0.0000301400000000 ] - [ -0.0009127200000000, -0.0004137600000000, -0.0001441100000000 ] - [ -0.0008968100000000, -0.0003962100000000, -0.0001304100000000 ] - [ 0.0213791900000000, -0.0006329200000000, 0.0002901900000000 ] - [ 0.0065934300000000, -0.0006159300000000, 0.0002563300000000 ] - [ 0.0040662600000000, 0.0064838700000000, 0.0039051900000000 ] - [ 0.0040261300000000, -0.0041419700000000, -0.0030051400000000 ] - [ -0.0029697500000000, -0.0004023400000000, 0.0002943200000000 ] - [ 0.0013379500000000, 0.0009952700000000, 0.0005545700000000 ] - [ -0.0010228800000000, -0.0000278700000000, 0.0003759600000000 ] - [ -0.0010324400000000, -0.0000144000000000, 0.0003677300000000 ] - [ -0.0009489600000000, -0.0004155300000000, 0.0001167300000000 ] - [ -0.0009519500000000, -0.0003769700000000, 0.0001013800000000 ] - [ -0.0028376700000000, -0.0011452200000000, 0.0007143800000000 ] - [ -0.0027654900000000, -0.0012802800000000, 0.0006043500000000 ] - [ -0.0014488700000000, 0.0000289700000000, -0.0005392600000000 ] - [ -0.0008780500000000, 0.0009842100000000, 0.0000727700000000 ] - [ 0.0128515900000000, 0.0006163700000000, 0.0002559500000000 ] - [ 0.0163798800000000, 0.0007049000000000, 0.0002532300000000 ] - [ -0.0010008100000000, -0.0015519500000000, -0.0001600500000000 ] - [ -0.0015943200000000, 0.0010976700000000, -0.0002682100000000 ] - [ -0.0009630600000000, 0.0003753300000000, 0.0001049800000000 ] - [ -0.0009393800000000, 0.0004127600000000, 0.0001115200000000 ] - [ 0.0067369500000000, 0.0011545100000000, -0.0012349800000000 ] - [ 0.0035793600000000, 0.0020485200000000, -0.0007089300000000 ] - [ -0.0018344400000000, 0.0001992800000000, 0.0003287600000000 ] - [ -0.0013469200000000, -0.0006496800000000, 0.0000335100000000 ] - [ 0.0021628000000000, 0.0097647700000000, -0.0021551800000000 ] - [ 0.0021579600000000, -0.0053287800000000, 0.0019920000000000 ] - [ -0.0015250500000000, -0.0010436700000000, 0.0001017900000000 ] - [ -0.0007817800000000, -0.0001217100000000, -0.0002608500000000 ] - [ -0.0027736900000000, 0.0011127500000000, 0.0006745600000000 ] - [ -0.0028600400000000, 0.0013226700000000, 0.0006355200000000 ] - [ -0.0014884400000000, -0.0001938400000000, 0.0003331300000000 ] - [ -0.0016000800000000, 0.0007268200000000, -0.0001391700000000 ] - [ 0.0024309100000000, -0.0020601800000000, -0.0021925000000000 ] - [ 0.0014604600000000, 0.0056381400000000, -0.0008226200000000 ] - [ 0.0039841700000000, -0.0070032700000000, -0.0035438900000000 ] - [ 0.0041282100000000, 0.0037496800000000, 0.0032377400000000 ] - [ -0.0024508700000000, -0.0006196300000000, 0.0002549800000000 ] - [ -0.0024812300000000, -0.0006186500000000, 0.0002549900000000 ] - [ -0.0010357600000000, 0.0000334000000000, 0.0003804500000000 ] - [ -0.0010202400000000, 0.0000143300000000, 0.0003667900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004127500000000, 0.0000642300000000, -0.0000505600000000 ] - [ -0.0003262700000000, 0.0000500800000000, -0.0000328100000000 ] - [ -0.0003140800000000, -0.0342491900000000, 0.0067709900000000 ] - [ 0.0004543800000000, 0.0124818100000000, -0.0012418700000000 ] - [ -0.0003764900000000, -0.0000999900000000, -0.0000383100000000 ] - [ -0.0003633900000000, -0.0000130700000000, -0.0000435500000000 ] - [ -0.0201279300000000, 0.0199652600000000, 0.0072470200000000 ] - [ 0.0278111200000000, 0.0197032400000000, -0.0038490900000000 ] - [ 0.0003140800000000, -0.0342491900000000, 0.0067709900000000 ] - [ -0.0004543800000000, 0.0124818100000000, -0.0012418700000000 ] - [ 0.0004127500000000, 0.0000642300000000, -0.0000505600000000 ] - [ 0.0003262700000000, 0.0000500800000000, -0.0000328100000000 ] - [ 0.0201279300000000, 0.0199652600000000, 0.0072470200000000 ] - [ -0.0278111200000000, 0.0197032400000000, -0.0038490900000000 ] - [ 0.0003764900000000, -0.0000999900000000, -0.0000383100000000 ] - [ 0.0003633900000000, -0.0000130700000000, -0.0000435500000000 ] - [ -0.0021063800000000, 0.0000045400000000, 0.0008173500000000 ] - [ 0.0027282700000000, -0.0001278100000000, -0.0015821600000000 ] - [ -0.0000595300000000, -0.0031420400000000, -0.0008598000000000 ] - [ 0.0010794900000000, 0.0030503500000000, 0.0002903400000000 ] - [ -0.0009851900000000, 0.0006272000000000, -0.0004822200000000 ] - [ 0.0000126300000000, -0.0001249400000000, -0.0002215000000000 ] - [ -0.0006290900000000, -0.0009001800000000, -0.0003545000000000 ] - [ -0.0004125300000000, 0.0004231300000000, -0.0003246800000000 ] - [ 0.0006290900000000, -0.0009001800000000, -0.0003545000000000 ] - [ 0.0004125300000000, 0.0004231300000000, -0.0003246800000000 ] - [ 0.0009851900000000, 0.0006272000000000, -0.0004822200000000 ] - [ -0.0000126300000000, -0.0001249400000000, -0.0002215000000000 ] - [ 0.0000595300000000, -0.0031420400000000, -0.0008598000000000 ] - [ -0.0010794900000000, 0.0030503500000000, 0.0002903400000000 ] - [ 0.0021063800000000, 0.0000045400000000, 0.0008173500000000 ] - [ -0.0027282700000000, -0.0001278100000000, -0.0015821600000000 ] - [ 0.0000000000000000, -0.0607217600000000, -0.0004962000000000 ] - [ 0.0000000000000000, 0.0107637300000000, -0.0001634000000000 ] - [ 0.0000000000000000, -0.0001779600000000, -0.0000341800000000 ] - [ 0.0000000000000000, -0.0001555300000000, -0.0000339900000000 ] - [ 0.0000000000000000, 0.0001667800000000, -0.0000333200000000 ] - [ 0.0000000000000000, 0.0001675800000000, -0.0000361800000000 ] - [ 0.0000000000000000, 0.0079180900000000, -0.0007984500000000 ] - [ 0.0000000000000000, 0.0075208500000000, -0.0027275400000000 ] - [ 0.0002746300000000, 0.0003669600000000, 0.0002126800000000 ] - [ 0.0002573200000000, 0.0006513400000000, 0.0000481000000000 ] - [ 0.0013545000000000, 0.0102031800000000, -0.0070003900000000 ] - [ -0.0023237500000000, -0.0064410600000000, 0.0039532000000000 ] - [ -0.0040183500000000, 0.0039495300000000, -0.0046206300000000 ] - [ 0.0005392300000000, -0.0067594700000000, 0.0035255400000000 ] - [ 0.0051943000000000, 0.0006132100000000, -0.0014402300000000 ] - [ -0.0063667100000000, -0.0029822600000000, 0.0019289800000000 ] - [ 0.0005171600000000, -0.0002714700000000, 0.0001061400000000 ] - [ -0.0000719200000000, 0.0011174500000000, -0.0002062700000000 ] - [ 0.0000000000000000, 0.0006305600000000, 0.0002584300000000 ] - [ 0.0000000000000000, 0.0006081200000000, 0.0002513900000000 ] - [ 0.0002325500000000, -0.0003551000000000, 0.0001733900000000 ] - [ 0.0003020300000000, -0.0006737400000000, 0.0000790600000000 ] - [ 0.0015221100000000, -0.0056871600000000, -0.0037296700000000 ] - [ -0.0034095000000000, 0.0081271000000000, 0.0063957000000000 ] - [ 0.0000653500000000, 0.0001761600000000, 0.0001270000000000 ] - [ 0.0000525300000000, 0.0002081100000000, 0.0001077200000000 ] - [ 0.0003276800000000, 0.0002924600000000, -0.0004762300000000 ] - [ -0.0007088400000000, -0.0010147700000000, 0.0002786700000000 ] - [ 0.0000724700000000, -0.0002419700000000, 0.0000734500000000 ] - [ 0.0000452200000000, -0.0002737300000000, 0.0000710600000000 ] - [ 0.0002003400000000, 0.0004541300000000, 0.0003420600000000 ] - [ 0.0002121400000000, -0.0012477700000000, -0.0004940000000000 ] - [ 0.0001284800000000, 0.0036115900000000, -0.0002618200000000 ] - [ 0.0002448200000000, -0.0008624400000000, 0.0001131900000000 ] - [ 0.0004335600000000, 0.0009477200000000, 0.0000543700000000 ] - [ -0.0008713400000000, -0.0002323600000000, -0.0000882900000000 ] - [ 0.0000598600000000, 0.0002749000000000, 0.0000780900000000 ] - [ 0.0000562900000000, 0.0002417900000000, 0.0000627600000000 ] - [ 0.0000578200000000, -0.0001774400000000, 0.0001248800000000 ] - [ 0.0000597600000000, -0.0002041600000000, 0.0001117100000000 ] - [ 0.0000000000000000, 0.0090760600000000, -0.0030730700000000 ] - [ 0.0000000000000000, -0.0044657800000000, 0.0002869800000000 ] - [ 0.0036361600000000, 0.0013332800000000, -0.0001796300000000 ] - [ -0.0010208500000000, -0.0068018600000000, -0.0030183900000000 ] - [ -0.0001284800000000, 0.0036115900000000, -0.0002618200000000 ] - [ -0.0002448200000000, -0.0008624400000000, 0.0001131900000000 ] - [ -0.0000653500000000, 0.0001761600000000, 0.0001270000000000 ] - [ -0.0000525300000000, 0.0002081100000000, 0.0001077200000000 ] - [ -0.0000724700000000, -0.0002419700000000, 0.0000734500000000 ] - [ -0.0000452200000000, -0.0002737300000000, 0.0000710600000000 ] - [ -0.0002325500000000, -0.0003551000000000, 0.0001733900000000 ] - [ -0.0003020300000000, -0.0006737400000000, 0.0000790600000000 ] - [ -0.0004335600000000, 0.0009477200000000, 0.0000543700000000 ] - [ 0.0008713400000000, -0.0002323600000000, -0.0000882900000000 ] - [ 0.0000000000000000, -0.0099710000000000, -0.0008422700000000 ] - [ 0.0000000000000000, 0.0077691200000000, 0.0019374900000000 ] - [ -0.0051943000000000, 0.0006132100000000, -0.0014402300000000 ] - [ 0.0063667100000000, -0.0029822600000000, 0.0019289800000000 ] - [ -0.0000598600000000, 0.0002749000000000, 0.0000780900000000 ] - [ -0.0000562900000000, 0.0002417900000000, 0.0000627600000000 ] - [ -0.0013545000000000, 0.0102031800000000, -0.0070003900000000 ] - [ 0.0023237500000000, -0.0064410600000000, 0.0039532000000000 ] - [ -0.0002003400000000, 0.0004541300000000, 0.0003420600000000 ] - [ -0.0002121400000000, -0.0012477700000000, -0.0004940000000000 ] - [ 0.0040183500000000, 0.0039495300000000, -0.0046206300000000 ] - [ -0.0005392300000000, -0.0067594700000000, 0.0035255400000000 ] - [ -0.0003276800000000, 0.0002924600000000, -0.0004762300000000 ] - [ 0.0007088400000000, -0.0010147700000000, 0.0002786700000000 ] - [ -0.0002746300000000, 0.0003669600000000, 0.0002126800000000 ] - [ -0.0002573200000000, 0.0006513400000000, 0.0000481000000000 ] - [ -0.0005171600000000, -0.0002714700000000, 0.0001061400000000 ] - [ 0.0000719200000000, 0.0011174500000000, -0.0002062700000000 ] - [ -0.0015221100000000, -0.0056871600000000, -0.0037296700000000 ] - [ 0.0034095000000000, 0.0081271000000000, 0.0063957000000000 ] - [ -0.0036361600000000, 0.0013332800000000, -0.0001796300000000 ] - [ 0.0010208500000000, -0.0068018600000000, -0.0030183900000000 ] - [ 0.0000000000000000, -0.0006245500000000, 0.0002612900000000 ] - [ 0.0000000000000000, -0.0006139700000000, 0.0002492800000000 ] - [ -0.0000578200000000, -0.0001774400000000, 0.0001248800000000 ] - [ -0.0000597600000000, -0.0002041600000000, 0.0001117100000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003151000000000, 0.0000543800000000, -0.0000412700000000 ] - [ -0.0004010700000000, 0.0000672300000000, -0.0000585600000000 ] - [ 0.0008057700000000, 0.0343220800000000, -0.0068682800000000 ] - [ 0.0002953500000000, -0.0123431900000000, 0.0011426700000000 ] - [ -0.0003516900000000, -0.0000182100000000, -0.0000524700000000 ] - [ -0.0003613000000000, -0.0001047200000000, -0.0000469300000000 ] - [ 0.0211090600000000, -0.0200890500000000, -0.0073371800000000 ] - [ -0.0267535900000000, -0.0197383900000000, 0.0037402100000000 ] - [ -0.0008057700000000, 0.0343220800000000, -0.0068682800000000 ] - [ -0.0002953500000000, -0.0123431900000000, 0.0011426700000000 ] - [ 0.0003151000000000, 0.0000543800000000, -0.0000412700000000 ] - [ 0.0004010700000000, 0.0000672300000000, -0.0000585600000000 ] - [ -0.0211090600000000, -0.0200890500000000, -0.0073371800000000 ] - [ 0.0267535900000000, -0.0197383900000000, 0.0037402100000000 ] - [ 0.0003516900000000, -0.0000182100000000, -0.0000524700000000 ] - [ 0.0003613000000000, -0.0001047200000000, -0.0000469300000000 ] - [ 0.0031129200000000, -0.0005086200000000, -0.0015005100000000 ] - [ -0.0017102100000000, -0.0004037200000000, 0.0009011000000000 ] - [ 0.0010609100000000, 0.0036625000000000, 0.0001916300000000 ] - [ -0.0000575500000000, -0.0025222800000000, -0.0009669800000000 ] - [ -0.0000301700000000, -0.0000986500000000, -0.0001930800000000 ] - [ -0.0010242400000000, 0.0006458000000000, -0.0004543800000000 ] - [ -0.0003879900000000, 0.0003727100000000, -0.0003209500000000 ] - [ -0.0005997200000000, -0.0009428200000000, -0.0003514700000000 ] - [ 0.0003879900000000, 0.0003727100000000, -0.0003209500000000 ] - [ 0.0005997200000000, -0.0009428200000000, -0.0003514700000000 ] - [ 0.0000301700000000, -0.0000986500000000, -0.0001930800000000 ] - [ 0.0010242400000000, 0.0006458000000000, -0.0004543800000000 ] - [ -0.0010609100000000, 0.0036625000000000, 0.0001916300000000 ] - [ 0.0000575500000000, -0.0025222800000000, -0.0009669800000000 ] - [ -0.0031129200000000, -0.0005086200000000, -0.0015005100000000 ] - [ 0.0017102100000000, -0.0004037200000000, 0.0009011000000000 ] - [ 0.0000000000000000, 0.0601835300000000, 0.0004283800000000 ] - [ 0.0000000000000000, -0.0104565800000000, 0.0001036700000000 ] - [ 0.0000000000000000, -0.0001527500000000, -0.0000304600000000 ] - [ 0.0000000000000000, -0.0001753600000000, -0.0000325000000000 ] - [ 0.0000000000000000, 0.0001647500000000, -0.0000335700000000 ] - [ 0.0000000000000000, 0.0001650200000000, -0.0000317800000000 ] - [ 0.0000000000000000, -0.0082407100000000, 0.0007172600000000 ] - [ 0.0000000000000000, -0.0078504100000000, 0.0026270100000000 ] - [ 0.0002573100000000, 0.0006570900000000, 0.0000425700000000 ] - [ 0.0002755300000000, 0.0003755700000000, 0.0002066500000000 ] - [ -0.0013538400000000, -0.0099541400000000, 0.0071445000000000 ] - [ 0.0021782200000000, 0.0068095100000000, -0.0037014600000000 ] - [ 0.0039612900000000, -0.0043223300000000, 0.0047644800000000 ] - [ -0.0006757800000000, 0.0062158600000000, -0.0033790100000000 ] - [ -0.0057454700000000, -0.0016487900000000, 0.0017045100000000 ] - [ 0.0058070600000000, 0.0019573100000000, -0.0016642600000000 ] - [ -0.0001432400000000, 0.0010639100000000, -0.0001969500000000 ] - [ 0.0004449800000000, -0.0003154500000000, 0.0001117600000000 ] - [ 0.0000000000000000, 0.0006060800000000, 0.0002514000000000 ] - [ 0.0000000000000000, 0.0006292600000000, 0.0002589200000000 ] - [ 0.0002982000000000, -0.0006690200000000, 0.0000819700000000 ] - [ 0.0002263200000000, -0.0003518100000000, 0.0001758400000000 ] - [ -0.0016583500000000, 0.0061912900000000, 0.0038744300000000 ] - [ 0.0032788000000000, -0.0075172900000000, -0.0061950300000000 ] - [ 0.0000618400000000, 0.0002042600000000, 0.0001123600000000 ] - [ 0.0000736200000000, 0.0001747900000000, 0.0001301200000000 ] - [ -0.0006977300000000, -0.0010909000000000, 0.0003833300000000 ] - [ 0.0003329000000000, 0.0002211600000000, -0.0003711100000000 ] - [ 0.0000496500000000, -0.0002788800000000, 0.0000699300000000 ] - [ 0.0000770500000000, -0.0002465400000000, 0.0000733100000000 ] - [ 0.0001731300000000, -0.0012466900000000, -0.0004346900000000 ] - [ 0.0001591900000000, 0.0004497200000000, 0.0003994100000000 ] - [ -0.0006069700000000, -0.0025958200000000, 0.0005029300000000 ] - [ -0.0007841600000000, 0.0018889100000000, 0.0001438400000000 ] - [ -0.0008029400000000, -0.0001567600000000, -0.0001479100000000 ] - [ 0.0004945800000000, 0.0010304100000000, -0.0000021500000000 ] - [ 0.0000622200000000, 0.0002455400000000, 0.0000647200000000 ] - [ 0.0000660500000000, 0.0002779800000000, 0.0000796100000000 ] - [ 0.0000687500000000, -0.0002012400000000, 0.0001152200000000 ] - [ 0.0000670800000000, -0.0001758900000000, 0.0001277800000000 ] - [ 0.0000000000000000, -0.0102628200000000, 0.0036290100000000 ] - [ 0.0000000000000000, 0.0032278700000000, 0.0002198800000000 ] - [ -0.0035822300000000, -0.0019472000000000, 0.0004962300000000 ] - [ 0.0008661900000000, 0.0064173800000000, 0.0032587900000000 ] - [ 0.0006069700000000, -0.0025958200000000, 0.0005029300000000 ] - [ 0.0007841600000000, 0.0018889100000000, 0.0001438400000000 ] - [ -0.0000618400000000, 0.0002042600000000, 0.0001123600000000 ] - [ -0.0000736200000000, 0.0001747900000000, 0.0001301200000000 ] - [ -0.0000496500000000, -0.0002788800000000, 0.0000699300000000 ] - [ -0.0000770500000000, -0.0002465400000000, 0.0000733100000000 ] - [ -0.0002982000000000, -0.0006690200000000, 0.0000819700000000 ] - [ -0.0002263200000000, -0.0003518100000000, 0.0001758400000000 ] - [ 0.0008029400000000, -0.0001567600000000, -0.0001479100000000 ] - [ -0.0004945800000000, 0.0010304100000000, -0.0000021500000000 ] - [ 0.0000000000000000, 0.0112669000000000, 0.0013769300000000 ] - [ 0.0000000000000000, -0.0055038400000000, -0.0015038800000000 ] - [ 0.0057454700000000, -0.0016487900000000, 0.0017045100000000 ] - [ -0.0058070600000000, 0.0019573100000000, -0.0016642600000000 ] - [ -0.0000622200000000, 0.0002455400000000, 0.0000647200000000 ] - [ -0.0000660500000000, 0.0002779800000000, 0.0000796100000000 ] - [ 0.0013538400000000, -0.0099541400000000, 0.0071445000000000 ] - [ -0.0021782200000000, 0.0068095100000000, -0.0037014600000000 ] - [ -0.0001731300000000, -0.0012466900000000, -0.0004346900000000 ] - [ -0.0001591900000000, 0.0004497200000000, 0.0003994100000000 ] - [ -0.0039612900000000, -0.0043223300000000, 0.0047644800000000 ] - [ 0.0006757800000000, 0.0062158600000000, -0.0033790100000000 ] - [ 0.0006977300000000, -0.0010909000000000, 0.0003833300000000 ] - [ -0.0003329000000000, 0.0002211600000000, -0.0003711100000000 ] - [ -0.0002573100000000, 0.0006570900000000, 0.0000425700000000 ] - [ -0.0002755300000000, 0.0003755700000000, 0.0002066500000000 ] - [ 0.0001432400000000, 0.0010639100000000, -0.0001969500000000 ] - [ -0.0004449800000000, -0.0003154500000000, 0.0001117600000000 ] - [ 0.0016583500000000, 0.0061912900000000, 0.0038744300000000 ] - [ -0.0032788000000000, -0.0075172900000000, -0.0061950300000000 ] - [ 0.0035822300000000, -0.0019472000000000, 0.0004962300000000 ] - [ -0.0008661900000000, 0.0064173800000000, 0.0032587900000000 ] - [ 0.0000000000000000, -0.0006128700000000, 0.0002484500000000 ] - [ 0.0000000000000000, -0.0006220200000000, 0.0002607100000000 ] - [ -0.0000687500000000, -0.0002012400000000, 0.0001152200000000 ] - [ -0.0000670800000000, -0.0001758900000000, 0.0001277800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003576000000000, 0.0000540000000000, -0.0000478500000000 ] - [ -0.0003621500000000, 0.0000612500000000, -0.0000482900000000 ] - [ 0.0123691000000000, -0.0067226500000000, 0.0347919700000000 ] - [ 0.0003364000000000, 0.0003859100000000, 0.0001119100000000 ] - [ -0.0003592900000000, -0.0000555000000000, -0.0000468700000000 ] - [ -0.0003668600000000, -0.0000584800000000, -0.0000473700000000 ] - [ 0.0001079600000000, 0.0005226500000000, -0.0124032600000000 ] - [ -0.0030396600000000, 0.0019934900000000, -0.0070545200000000 ] - [ -0.0123691000000000, -0.0067226500000000, 0.0347919700000000 ] - [ -0.0003364000000000, 0.0003859100000000, 0.0001119100000000 ] - [ 0.0003576000000000, 0.0000540000000000, -0.0000478500000000 ] - [ 0.0003621500000000, 0.0000612500000000, -0.0000482900000000 ] - [ -0.0001079600000000, 0.0005226500000000, -0.0124032600000000 ] - [ 0.0030396600000000, 0.0019934900000000, -0.0070545200000000 ] - [ 0.0003592900000000, -0.0000555000000000, -0.0000468700000000 ] - [ 0.0003668600000000, -0.0000584800000000, -0.0000473700000000 ] - [ 0.0001074000000000, 0.0000445000000000, -0.0002560000000000 ] - [ 0.0002911500000000, -0.0004539400000000, -0.0003739100000000 ] - [ 0.0007397900000000, 0.0001952900000000, -0.0005172000000000 ] - [ 0.0006263000000000, 0.0003639000000000, -0.0002927900000000 ] - [ -0.0004999200000000, 0.0002262400000000, -0.0003788000000000 ] - [ -0.0004705000000000, 0.0002804900000000, -0.0003504600000000 ] - [ -0.0005111300000000, -0.0002547800000000, -0.0003030100000000 ] - [ -0.0005106300000000, -0.0002764200000000, -0.0003193900000000 ] - [ 0.0005111300000000, -0.0002547800000000, -0.0003030100000000 ] - [ 0.0005106300000000, -0.0002764200000000, -0.0003193900000000 ] - [ 0.0004999200000000, 0.0002262400000000, -0.0003788000000000 ] - [ 0.0004705000000000, 0.0002804900000000, -0.0003504600000000 ] - [ -0.0007397900000000, 0.0001952900000000, -0.0005172000000000 ] - [ -0.0006263000000000, 0.0003639000000000, -0.0002927900000000 ] - [ -0.0001074000000000, 0.0000445000000000, -0.0002560000000000 ] - [ -0.0002911500000000, -0.0004539400000000, -0.0003739100000000 ] - [ 0.0000000000000000, -0.0002609800000000, -0.0567937600000000 ] - [ 0.0000000000000000, 0.0000240100000000, -0.0001173200000000 ] - [ 0.0000000000000000, -0.0001664900000000, -0.0000345000000000 ] - [ 0.0000000000000000, -0.0001676100000000, -0.0000332600000000 ] - [ 0.0000000000000000, 0.0001657900000000, -0.0000347300000000 ] - [ 0.0000000000000000, 0.0001688300000000, -0.0000348500000000 ] - [ 0.0000000000000000, 0.0005166700000000, 0.0088084400000000 ] - [ 0.0000000000000000, 0.0026141500000000, 0.0072571100000000 ] - [ 0.0002686400000000, 0.0005206000000000, 0.0001314300000000 ] - [ 0.0002702400000000, 0.0005095800000000, 0.0001333700000000 ] - [ 0.0020282200000000, 0.0022200100000000, -0.0047275100000000 ] - [ -0.0001550000000000, -0.0002045100000000, 0.0001775400000000 ] - [ -0.0011878200000000, -0.0029945800000000, 0.0030074400000000 ] - [ 0.0000257300000000, -0.0002199900000000, 0.0003904500000000 ] - [ -0.0005946300000000, -0.0009309900000000, 0.0011902600000000 ] - [ -0.0006239800000000, -0.0007008600000000, 0.0005355400000000 ] - [ 0.0002126000000000, 0.0003804100000000, -0.0000129700000000 ] - [ 0.0001942500000000, 0.0003997600000000, -0.0000172600000000 ] - [ 0.0000000000000000, 0.0006209100000000, 0.0002575300000000 ] - [ 0.0000000000000000, 0.0006219500000000, 0.0002573500000000 ] - [ 0.0002713700000000, -0.0005189300000000, 0.0001259200000000 ] - [ 0.0002812400000000, -0.0005089000000000, 0.0001322800000000 ] - [ -0.0000108800000000, -0.0004710400000000, 0.0007355500000000 ] - [ 0.0009933100000000, 0.0010486700000000, -0.0023867200000000 ] - [ 0.0000556900000000, 0.0001945000000000, 0.0001154500000000 ] - [ 0.0000553300000000, 0.0001917100000000, 0.0001170000000000 ] - [ -0.0002773400000000, -0.0003594200000000, -0.0000548200000000 ] - [ -0.0001706000000000, -0.0003699200000000, -0.0001228200000000 ] - [ 0.0000555600000000, -0.0002559700000000, 0.0000727800000000 ] - [ 0.0000569900000000, -0.0002573900000000, 0.0000742600000000 ] - [ 0.0001787000000000, -0.0003921100000000, -0.0000841600000000 ] - [ 0.0001737200000000, -0.0004022700000000, -0.0000541900000000 ] - [ -0.0003773100000000, 0.0009528700000000, -0.0008567400000000 ] - [ -0.0002484400000000, 0.0005512200000000, 0.0001554900000000 ] - [ -0.0001413300000000, 0.0003933300000000, -0.0000097600000000 ] - [ -0.0001643000000000, 0.0004582500000000, 0.0000320800000000 ] - [ 0.0000551800000000, 0.0002564800000000, 0.0000723100000000 ] - [ 0.0000568400000000, 0.0002541600000000, 0.0000718300000000 ] - [ 0.0000552100000000, -0.0001944000000000, 0.0001161900000000 ] - [ 0.0000563200000000, -0.0001908500000000, 0.0001184100000000 ] - [ 0.0000000000000000, 0.0005987000000000, -0.0009485700000000 ] - [ 0.0000000000000000, -0.0009762800000000, 0.0004571900000000 ] - [ -0.0007986600000000, 0.0024544200000000, 0.0052795000000000 ] - [ 0.0002981900000000, -0.0002608100000000, 0.0005917700000000 ] - [ 0.0003773100000000, 0.0009528700000000, -0.0008567400000000 ] - [ 0.0002484400000000, 0.0005512200000000, 0.0001554900000000 ] - [ -0.0000556900000000, 0.0001945000000000, 0.0001154500000000 ] - [ -0.0000553300000000, 0.0001917100000000, 0.0001170000000000 ] - [ -0.0000555600000000, -0.0002559700000000, 0.0000727800000000 ] - [ -0.0000569900000000, -0.0002573900000000, 0.0000742600000000 ] - [ -0.0002713700000000, -0.0005189300000000, 0.0001259200000000 ] - [ -0.0002812400000000, -0.0005089000000000, 0.0001322800000000 ] - [ 0.0001413300000000, 0.0003933300000000, -0.0000097600000000 ] - [ 0.0001643000000000, 0.0004582500000000, 0.0000320800000000 ] - [ 0.0000000000000000, -0.0009330600000000, 0.0017378600000000 ] - [ 0.0000000000000000, 0.0026986000000000, 0.0036771900000000 ] - [ 0.0005946300000000, -0.0009309900000000, 0.0011902600000000 ] - [ 0.0006239800000000, -0.0007008600000000, 0.0005355400000000 ] - [ -0.0000551800000000, 0.0002564800000000, 0.0000723100000000 ] - [ -0.0000568400000000, 0.0002541600000000, 0.0000718300000000 ] - [ -0.0020282200000000, 0.0022200100000000, -0.0047275100000000 ] - [ 0.0001550000000000, -0.0002045100000000, 0.0001775400000000 ] - [ -0.0001787000000000, -0.0003921100000000, -0.0000841600000000 ] - [ -0.0001737200000000, -0.0004022700000000, -0.0000541900000000 ] - [ 0.0011878200000000, -0.0029945800000000, 0.0030074400000000 ] - [ -0.0000257300000000, -0.0002199900000000, 0.0003904500000000 ] - [ 0.0002773400000000, -0.0003594200000000, -0.0000548200000000 ] - [ 0.0001706000000000, -0.0003699200000000, -0.0001228200000000 ] - [ -0.0002686400000000, 0.0005206000000000, 0.0001314300000000 ] - [ -0.0002702400000000, 0.0005095800000000, 0.0001333700000000 ] - [ -0.0002126000000000, 0.0003804100000000, -0.0000129700000000 ] - [ -0.0001942500000000, 0.0003997600000000, -0.0000172600000000 ] - [ 0.0000108800000000, -0.0004710400000000, 0.0007355500000000 ] - [ -0.0009933100000000, 0.0010486700000000, -0.0023867200000000 ] - [ 0.0007986600000000, 0.0024544200000000, 0.0052795000000000 ] - [ -0.0002981900000000, -0.0002608100000000, 0.0005917700000000 ] - [ 0.0000000000000000, -0.0006210800000000, 0.0002580900000000 ] - [ 0.0000000000000000, -0.0006220200000000, 0.0002581300000000 ] - [ -0.0000552100000000, -0.0001944000000000, 0.0001161900000000 ] - [ -0.0000563200000000, -0.0001908500000000, 0.0001184100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003720400000000, 0.0000604900000000, -0.0000423800000000 ] - [ -0.0003680200000000, 0.0000533600000000, -0.0000418000000000 ] - [ -0.0110132400000000, 0.0068092900000000, -0.0349001300000000 ] - [ 0.0004022500000000, -0.0002871000000000, -0.0002106000000000 ] - [ -0.0003708700000000, -0.0000599500000000, -0.0000433600000000 ] - [ -0.0003625900000000, -0.0000563500000000, -0.0000428100000000 ] - [ 0.0005609700000000, -0.0006135900000000, 0.0123481600000000 ] - [ 0.0036066700000000, -0.0021892000000000, 0.0070270700000000 ] - [ 0.0110132400000000, 0.0068092900000000, -0.0349001300000000 ] - [ -0.0004022500000000, -0.0002871000000000, -0.0002106000000000 ] - [ 0.0003720400000000, 0.0000604900000000, -0.0000423800000000 ] - [ 0.0003680200000000, 0.0000533600000000, -0.0000418000000000 ] - [ -0.0005609700000000, -0.0006135900000000, 0.0123481600000000 ] - [ -0.0036066700000000, -0.0021892000000000, 0.0070270700000000 ] - [ 0.0003708700000000, -0.0000599500000000, -0.0000433600000000 ] - [ 0.0003625900000000, -0.0000563500000000, -0.0000428100000000 ] - [ 0.0008945100000000, -0.0005808800000000, -0.0004209400000000 ] - [ 0.0007018500000000, -0.0000630000000000, -0.0003034100000000 ] - [ 0.0002599600000000, 0.0003358500000000, -0.0001694600000000 ] - [ 0.0003650400000000, 0.0001520700000000, -0.0003879200000000 ] - [ -0.0004978300000000, 0.0002938200000000, -0.0002997300000000 ] - [ -0.0005305200000000, 0.0002455500000000, -0.0003282700000000 ] - [ -0.0004851500000000, -0.0002661000000000, -0.0003762700000000 ] - [ -0.0004891600000000, -0.0002498500000000, -0.0003605500000000 ] - [ 0.0004851500000000, -0.0002661000000000, -0.0003762700000000 ] - [ 0.0004891600000000, -0.0002498500000000, -0.0003605500000000 ] - [ 0.0004978300000000, 0.0002938200000000, -0.0002997300000000 ] - [ 0.0005305200000000, 0.0002455500000000, -0.0003282700000000 ] - [ -0.0002599600000000, 0.0003358500000000, -0.0001694600000000 ] - [ -0.0003650400000000, 0.0001520700000000, -0.0003879200000000 ] - [ -0.0008945100000000, -0.0005808800000000, -0.0004209400000000 ] - [ -0.0007018500000000, -0.0000630000000000, -0.0003034100000000 ] - [ 0.0000000000000000, 0.0006584700000000, 0.0550899700000000 ] - [ 0.0000000000000000, 0.0002866700000000, 0.0000404200000000 ] - [ 0.0000000000000000, -0.0001670900000000, -0.0000331300000000 ] - [ 0.0000000000000000, -0.0001656200000000, -0.0000354700000000 ] - [ 0.0000000000000000, 0.0001675600000000, -0.0000351500000000 ] - [ 0.0000000000000000, 0.0001652700000000, -0.0000353600000000 ] - [ 0.0000000000000000, -0.0009958300000000, -0.0088710600000000 ] - [ 0.0000000000000000, -0.0027356800000000, -0.0072742200000000 ] - [ 0.0002745800000000, 0.0005102100000000, 0.0001291300000000 ] - [ 0.0002718300000000, 0.0005200200000000, 0.0001276200000000 ] - [ -0.0020310800000000, -0.0018913000000000, 0.0048082500000000 ] - [ 0.0000446000000000, 0.0005998900000000, 0.0000282000000000 ] - [ 0.0011470300000000, 0.0025179500000000, -0.0027206800000000 ] - [ -0.0001378100000000, -0.0002896600000000, -0.0002462700000000 ] - [ 0.0000517600000000, -0.0000909200000000, -0.0009364300000000 ] - [ 0.0001119100000000, -0.0003241400000000, -0.0002927900000000 ] - [ 0.0001550900000000, 0.0004179300000000, -0.0000823100000000 ] - [ 0.0001738600000000, 0.0003924900000000, -0.0000751400000000 ] - [ 0.0000000000000000, 0.0006198600000000, 0.0002556900000000 ] - [ 0.0000000000000000, 0.0006197200000000, 0.0002563300000000 ] - [ 0.0002709400000000, -0.0005115400000000, 0.0001346700000000 ] - [ 0.0002595400000000, -0.0005208900000000, 0.0001289000000000 ] - [ -0.0001031700000000, 0.0009923800000000, -0.0005887200000000 ] - [ -0.0011293700000000, -0.0005857100000000, 0.0024825900000000 ] - [ 0.0000568700000000, 0.0001898900000000, 0.0001185000000000 ] - [ 0.0000563400000000, 0.0001942800000000, 0.0001157100000000 ] - [ -0.0000968200000000, -0.0004326200000000, -0.0000354300000000 ] - [ -0.0001953600000000, -0.0004255300000000, 0.0000297500000000 ] - [ 0.0000571700000000, -0.0002555500000000, 0.0000709000000000 ] - [ 0.0000557700000000, -0.0002548200000000, 0.0000706800000000 ] - [ 0.0001898600000000, -0.0004077100000000, -0.0000089400000000 ] - [ 0.0001963200000000, -0.0003900700000000, -0.0000371000000000 ] - [ -0.0002198900000000, 0.0000980800000000, 0.0011475100000000 ] - [ -0.0002907100000000, 0.0004819700000000, 0.0001066800000000 ] - [ -0.0002311300000000, 0.0004044100000000, -0.0000817600000000 ] - [ -0.0002016700000000, 0.0003388900000000, -0.0001259500000000 ] - [ 0.0000575100000000, 0.0002553400000000, 0.0000718700000000 ] - [ 0.0000557400000000, 0.0002567300000000, 0.0000716500000000 ] - [ 0.0000568400000000, -0.0001898800000000, 0.0001177700000000 ] - [ 0.0000560000000000, -0.0001941000000000, 0.0001153900000000 ] - [ 0.0000000000000000, -0.0017547200000000, 0.0028254600000000 ] - [ 0.0000000000000000, -0.0002446100000000, 0.0000626300000000 ] - [ 0.0007847600000000, -0.0029147900000000, -0.0049118800000000 ] - [ -0.0004148200000000, -0.0001082500000000, -0.0003325500000000 ] - [ 0.0002198900000000, 0.0000980800000000, 0.0011475100000000 ] - [ 0.0002907100000000, 0.0004819700000000, 0.0001066800000000 ] - [ -0.0000568700000000, 0.0001898900000000, 0.0001185000000000 ] - [ -0.0000563400000000, 0.0001942800000000, 0.0001157100000000 ] - [ -0.0000571700000000, -0.0002555500000000, 0.0000709000000000 ] - [ -0.0000557700000000, -0.0002548200000000, 0.0000706800000000 ] - [ -0.0002709400000000, -0.0005115400000000, 0.0001346700000000 ] - [ -0.0002595400000000, -0.0005208900000000, 0.0001289000000000 ] - [ 0.0002311300000000, 0.0004044100000000, -0.0000817600000000 ] - [ 0.0002016700000000, 0.0003388900000000, -0.0001259500000000 ] - [ 0.0000000000000000, 0.0021550600000000, -0.0012414300000000 ] - [ 0.0000000000000000, -0.0013039700000000, -0.0032100500000000 ] - [ -0.0000517600000000, -0.0000909200000000, -0.0009364300000000 ] - [ -0.0001119100000000, -0.0003241400000000, -0.0002927900000000 ] - [ -0.0000575100000000, 0.0002553400000000, 0.0000718700000000 ] - [ -0.0000557400000000, 0.0002567300000000, 0.0000716500000000 ] - [ 0.0020310800000000, -0.0018913000000000, 0.0048082500000000 ] - [ -0.0000446000000000, 0.0005998900000000, 0.0000282000000000 ] - [ -0.0001898600000000, -0.0004077100000000, -0.0000089400000000 ] - [ -0.0001963200000000, -0.0003900700000000, -0.0000371000000000 ] - [ -0.0011470300000000, 0.0025179500000000, -0.0027206800000000 ] - [ 0.0001378100000000, -0.0002896600000000, -0.0002462700000000 ] - [ 0.0000968200000000, -0.0004326200000000, -0.0000354300000000 ] - [ 0.0001953600000000, -0.0004255300000000, 0.0000297500000000 ] - [ -0.0002745800000000, 0.0005102100000000, 0.0001291300000000 ] - [ -0.0002718300000000, 0.0005200200000000, 0.0001276200000000 ] - [ -0.0001550900000000, 0.0004179300000000, -0.0000823100000000 ] - [ -0.0001738600000000, 0.0003924900000000, -0.0000751400000000 ] - [ 0.0001031700000000, 0.0009923800000000, -0.0005887200000000 ] - [ 0.0011293700000000, -0.0005857100000000, 0.0024825900000000 ] - [ -0.0007847600000000, -0.0029147900000000, -0.0049118800000000 ] - [ 0.0004148200000000, -0.0001082500000000, -0.0003325500000000 ] - [ 0.0000000000000000, -0.0006208600000000, 0.0002553500000000 ] - [ 0.0000000000000000, -0.0006189800000000, 0.0002551400000000 ] - [ -0.0000568400000000, -0.0001898800000000, 0.0001177700000000 ] - [ -0.0000560000000000, -0.0001941000000000, 0.0001153900000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1698101100000000, 0.0384067300000000, 0.0181317400000000 ] - [ 0.0119382100000000, -0.0020539000000000, 0.0010151600000000 ] - [ -0.0054014000000000, 0.0005499400000000, 0.0006441900000000 ] - [ -0.0060455400000000, 0.0002264500000000, 0.0006394700000000 ] - [ 0.0106177200000000, -0.0177372400000000, -0.0036645200000000 ] - [ 0.0217292900000000, 0.0165120600000000, 0.0014211600000000 ] - [ -0.0059085500000000, -0.0001125700000000, 0.0006351200000000 ] - [ -0.0056765600000000, -0.0006555100000000, 0.0005395700000000 ] - [ -0.0064527700000000, -0.0002844000000000, -0.0007162400000000 ] - [ -0.0064923700000000, -0.0002664500000000, -0.0007135600000000 ] - [ -0.0146001900000000, 0.0026948800000000, 0.0010699600000000 ] - [ -0.0019752700000000, -0.0006145300000000, 0.0003957300000000 ] - [ -0.0064940800000000, 0.0002838500000000, -0.0007143000000000 ] - [ -0.0064744800000000, 0.0002684300000000, -0.0007084500000000 ] - [ -0.0046015400000000, -0.0037178800000000, 0.0005368100000000 ] - [ -0.0035545100000000, 0.0032422900000000, 0.0005629000000000 ] - [ -0.0096081300000000, 0.0045872200000000, 0.0008774400000000 ] - [ -0.0002136400000000, -0.0035103400000000, -0.0013275000000000 ] - [ -0.0007775000000000, 0.0048069400000000, 0.0003614600000000 ] - [ -0.0030907100000000, -0.0073777200000000, 0.0009560400000000 ] - [ -0.0013811000000000, -0.0005632000000000, -0.0127552400000000 ] - [ 0.0093935800000000, -0.0058590300000000, 0.0007466600000000 ] - [ 0.0105557800000000, 0.0091640600000000, 0.0025836400000000 ] - [ -0.0005518400000000, -0.0195673500000000, 0.0102174000000000 ] - [ -0.0031595400000000, -0.0000443600000000, 0.0002865600000000 ] - [ -0.0033052900000000, 0.0013738900000000, -0.0001739900000000 ] - [ -0.0037619300000000, -0.0004335400000000, 0.0007259500000000 ] - [ -0.0028274400000000, -0.0006577200000000, -0.0001374700000000 ] - [ -0.0042933200000000, 0.0009559600000000, -0.0008499300000000 ] - [ -0.0043036500000000, 0.0012859400000000, -0.0008422700000000 ] - [ -0.0044482700000000, -0.0011849200000000, -0.0008626900000000 ] - [ -0.0041998300000000, -0.0010359300000000, -0.0007949100000000 ] - [ -0.0025146600000000, 0.0001705300000000, -0.0000347500000000 ] - [ -0.0026038200000000, 0.0001525600000000, -0.0000337600000000 ] - [ -0.0018506200000000, -0.0062765100000000, 0.0003371700000000 ] - [ -0.0012615900000000, 0.0053263600000000, 0.0002970400000000 ] - [ -0.0032172000000000, -0.0002087500000000, 0.0000456600000000 ] - [ 0.0010858300000000, -0.0003557100000000, -0.0000548900000000 ] - [ -0.0025809100000000, -0.0001295200000000, -0.0000322600000000 ] - [ -0.0025103000000000, -0.0002000200000000, -0.0000207400000000 ] - [ -0.2344758300000000, -0.0456557900000000, -0.0230687000000000 ] - [ -0.0097698500000000, -0.0019171900000000, -0.0014567900000000 ] - [ 0.0014463000000000, 0.0004110200000000, -0.0001995700000000 ] - [ 0.0015216100000000, 0.0006636100000000, -0.0003400300000000 ] - [ 0.0013715700000000, -0.0000688400000000, -0.0000587300000000 ] - [ 0.0014377000000000, -0.0001021900000000, -0.0000306500000000 ] - [ 0.0036416900000000, -0.0004979600000000, -0.0011076900000000 ] - [ 0.0041090300000000, 0.0028293900000000, 0.0002759800000000 ] - [ 0.0087053600000000, 0.0081310000000000, -0.0008690300000000 ] - [ -0.0028047900000000, 0.0001499900000000, -0.0006649600000000 ] - [ 0.0010297900000000, 0.0032506600000000, 0.0009621100000000 ] - [ -0.0010172300000000, -0.0018015200000000, 0.0008251000000000 ] - [ -0.0132347600000000, 0.0047020800000000, -0.0016595200000000 ] - [ -0.0177245600000000, 0.0047147400000000, -0.0028726700000000 ] - [ 0.0014324800000000, 0.0000133100000000, -0.0000081200000000 ] - [ 0.0012408100000000, 0.0000712700000000, 0.0001808300000000 ] - [ 0.0105852200000000, -0.0194428600000000, 0.0211089900000000 ] - [ -0.0021063600000000, 0.0045410900000000, -0.0021174800000000 ] - [ 0.0046090100000000, -0.0075170400000000, 0.0035634600000000 ] - [ -0.0009574600000000, 0.0045969400000000, 0.0026474200000000 ] - [ 0.0003925500000000, 0.0138207700000000, -0.0148017700000000 ] - [ -0.0025260700000000, -0.0029233900000000, 0.0012388600000000 ] - [ -0.0028900900000000, -0.0008761200000000, -0.0004840200000000 ] - [ 0.0138363100000000, 0.0103512200000000, 0.0074561000000000 ] - [ 0.0036525600000000, -0.0015483400000000, -0.0004278800000000 ] - [ 0.0036476500000000, 0.0009613600000000, -0.0014802200000000 ] - [ 0.0027971700000000, -0.0081479000000000, 0.0018238500000000 ] - [ 0.0038230600000000, 0.0075720600000000, -0.0059272900000000 ] - [ -0.0020423100000000, 0.0239166200000000, 0.0164045900000000 ] - [ -0.0035434400000000, -0.0016983100000000, -0.0016405400000000 ] - [ -0.0014196300000000, 0.0029699200000000, 0.0018433500000000 ] - [ 0.0050456400000000, -0.0170427000000000, -0.0156077100000000 ] - [ 0.0038866700000000, -0.0006316500000000, 0.0002516200000000 ] - [ 0.0039515700000000, -0.0005846500000000, 0.0002286500000000 ] - [ 0.0014783000000000, -0.0006405300000000, -0.0003715300000000 ] - [ 0.0014637400000000, -0.0004251100000000, -0.0002396200000000 ] - [ 0.0043139500000000, 0.0016746600000000, 0.0009591800000000 ] - [ 0.0043160300000000, 0.0016103300000000, 0.0009815200000000 ] - [ 0.0016388000000000, -0.0016925600000000, 0.0008613800000000 ] - [ 0.0009566200000000, 0.0019465700000000, -0.0003262500000000 ] - [ 0.0025773900000000, 0.0019657600000000, -0.0015370900000000 ] - [ 0.0004458800000000, -0.0011425500000000, 0.0003904200000000 ] - [ 0.0037963200000000, 0.0009731700000000, -0.0006204300000000 ] - [ 0.0029956300000000, -0.0000022600000000, -0.0004043800000000 ] - [ 0.0024122600000000, 0.0003820300000000, 0.0001200400000000 ] - [ 0.0023762500000000, -0.0000118700000000, 0.0003462800000000 ] - [ 0.0039443800000000, 0.0005817700000000, 0.0002374100000000 ] - [ 0.0039486700000000, 0.0006817800000000, 0.0003007600000000 ] - [ 0.0043248300000000, -0.0016204800000000, 0.0009880600000000 ] - [ 0.0043139100000000, -0.0016835500000000, 0.0009483100000000 ] - [ 0.0016522800000000, 0.0016759300000000, 0.0010722500000000 ] - [ 0.0007402000000000, -0.0005582900000000, -0.0003742900000000 ] - [ 0.0016086400000000, -0.0001597200000000, 0.0005271900000000 ] - [ 0.0016087600000000, -0.0001488700000000, 0.0005340600000000 ] - [ 0.0018584600000000, -0.0004901700000000, -0.0003215400000000 ] - [ 0.0021943200000000, -0.0008589300000000, -0.0003413700000000 ] - [ 0.0014774400000000, -0.0004689000000000, 0.0001286300000000 ] - [ 0.0014839400000000, -0.0004849600000000, 0.0001298900000000 ] - [ 0.0024404600000000, -0.0000334700000000, 0.0002239400000000 ] - [ 0.0023002400000000, -0.0002903900000000, 0.0002039800000000 ] - [ 0.0063636100000000, -0.0015563800000000, -0.0018691900000000 ] - [ 0.0025128200000000, -0.0001679100000000, -0.0003481000000000 ] - [ 0.0021127800000000, 0.0003834000000000, -0.0004138600000000 ] - [ 0.0018932700000000, 0.0007625000000000, -0.0002370500000000 ] - [ 0.0014866100000000, 0.0004735600000000, 0.0001281400000000 ] - [ 0.0014786600000000, 0.0004911500000000, 0.0001368500000000 ] - [ 0.0016060100000000, 0.0001445000000000, 0.0005307000000000 ] - [ 0.0016107700000000, 0.0001531300000000, 0.0005248700000000 ] - [ 0.0311942700000000, 0.0013909200000000, -0.0045433700000000 ] - [ -0.0024139600000000, -0.0012474500000000, 0.0005418300000000 ] - [ 0.0008928000000000, 0.0009811000000000, 0.0000626900000000 ] - [ 0.0019513000000000, -0.0029594600000000, -0.0015072300000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1600493700000000, -0.0353905600000000, -0.0170719400000000 ] - [ -0.0125986800000000, 0.0021442400000000, -0.0010983600000000 ] - [ 0.0060966700000000, -0.0004264200000000, -0.0007309500000000 ] - [ 0.0067475900000000, -0.0001116400000000, -0.0007256300000000 ] - [ -0.0112798700000000, 0.0175475100000000, 0.0034936300000000 ] - [ -0.0222862500000000, -0.0165756100000000, -0.0015796300000000 ] - [ 0.0066038300000000, -0.0000097100000000, -0.0007213600000000 ] - [ 0.0063796700000000, 0.0005376900000000, -0.0006257800000000 ] - [ 0.0056952800000000, 0.0004019700000000, 0.0006212500000000 ] - [ 0.0057337400000000, 0.0003838500000000, 0.0006192000000000 ] - [ 0.0151979300000000, -0.0025452200000000, -0.0011428100000000 ] - [ 0.0027017600000000, 0.0007250000000000, -0.0004842200000000 ] - [ 0.0057316100000000, -0.0004008100000000, 0.0006200800000000 ] - [ 0.0057154000000000, -0.0003851800000000, 0.0006150500000000 ] - [ 0.0053210200000000, 0.0035670400000000, -0.0006253300000000 ] - [ 0.0042798600000000, -0.0033305800000000, -0.0006489400000000 ] - [ 0.0106127400000000, -0.0051055300000000, -0.0015702700000000 ] - [ 0.0012033200000000, 0.0029711600000000, 0.0006434200000000 ] - [ 0.0017654400000000, -0.0042606800000000, -0.0010236600000000 ] - [ 0.0040565200000000, 0.0079274700000000, -0.0016034500000000 ] - [ 0.0000727100000000, 0.0010869300000000, 0.0117908200000000 ] - [ -0.0103605300000000, 0.0063450200000000, -0.0014095500000000 ] - [ -0.0115321000000000, -0.0096066200000000, -0.0032402800000000 ] - [ -0.0006322800000000, 0.0187693500000000, -0.0108351100000000 ] - [ 0.0041539200000000, -0.0004839800000000, -0.0009554400000000 ] - [ 0.0042979900000000, -0.0018842700000000, -0.0005004800000000 ] - [ 0.0047507400000000, 0.0009548600000000, -0.0013915200000000 ] - [ 0.0038239600000000, 0.0011767900000000, -0.0005375800000000 ] - [ 0.0032634400000000, -0.0004370100000000, 0.0001719000000000 ] - [ 0.0032748700000000, -0.0007608900000000, 0.0001653900000000 ] - [ 0.0034168000000000, 0.0006623900000000, 0.0001863200000000 ] - [ 0.0031723300000000, 0.0005142200000000, 0.0001188800000000 ] - [ 0.0025009800000000, 0.0001599500000000, -0.0000316200000000 ] - [ 0.0025900900000000, 0.0001760300000000, -0.0000334300000000 ] - [ 0.0018433800000000, 0.0058905400000000, -0.0004004000000000 ] - [ 0.0012663200000000, -0.0056181000000000, -0.0003502300000000 ] - [ 0.0032179500000000, 0.0005370600000000, -0.0001133000000000 ] - [ -0.0010734900000000, 0.0006806800000000, -0.0000132100000000 ] - [ 0.0025678400000000, -0.0002010500000000, -0.0000338700000000 ] - [ 0.0024966000000000, -0.0001303400000000, -0.0000443300000000 ] - [ 0.2249793400000000, 0.0440766100000000, 0.0223503900000000 ] - [ 0.0102373400000000, 0.0029210100000000, 0.0017041100000000 ] - [ -0.0015642400000000, -0.0000323600000000, 0.0004394900000000 ] - [ -0.0016396500000000, -0.0002811700000000, 0.0005774500000000 ] - [ -0.0014839100000000, -0.0004540700000000, 0.0002024400000000 ] - [ -0.0015485900000000, -0.0004153800000000, 0.0001720400000000 ] - [ -0.0041325600000000, -0.0005183400000000, 0.0013525000000000 ] - [ -0.0046046500000000, -0.0038502800000000, -0.0000296400000000 ] - [ -0.0083253700000000, -0.0073243300000000, 0.0008736800000000 ] - [ 0.0031764300000000, 0.0006451500000000, 0.0005646200000000 ] - [ -0.0010451800000000, -0.0020072000000000, -0.0004433500000000 ] - [ 0.0009908600000000, 0.0030256600000000, -0.0003076800000000 ] - [ 0.0136781800000000, -0.0056958300000000, 0.0019078200000000 ] - [ 0.0181154900000000, -0.0056841900000000, 0.0031148800000000 ] - [ -0.0015416600000000, 0.0005134500000000, 0.0001527500000000 ] - [ -0.0013525900000000, 0.0004504600000000, -0.0000383200000000 ] - [ -0.0104014900000000, 0.0195025200000000, -0.0205325300000000 ] - [ 0.0022161700000000, -0.0041373600000000, 0.0023482800000000 ] - [ -0.0050104200000000, 0.0067486500000000, -0.0037224600000000 ] - [ 0.0006039700000000, -0.0053684900000000, -0.0027149400000000 ] - [ -0.0003795100000000, -0.0142722300000000, 0.0148407200000000 ] - [ 0.0026222100000000, 0.0023881700000000, -0.0010900100000000 ] - [ 0.0032606900000000, 0.0000817300000000, 0.0003923900000000 ] - [ -0.0136971900000000, -0.0113053000000000, -0.0076949200000000 ] - [ -0.0041447000000000, 0.0025543900000000, 0.0006803800000000 ] - [ -0.0041488400000000, 0.0000560100000000, 0.0017331200000000 ] - [ -0.0031457800000000, 0.0088978000000000, -0.0018795000000000 ] - [ -0.0041532600000000, -0.0067181600000000, 0.0057806100000000 ] - [ 0.0019900600000000, -0.0230803300000000, -0.0160315100000000 ] - [ 0.0036350900000000, 0.0022252100000000, 0.0017853200000000 ] - [ 0.0015336000000000, -0.0033267300000000, -0.0015896100000000 ] - [ -0.0049371500000000, 0.0165276900000000, 0.0157370200000000 ] - [ -0.0038669000000000, -0.0006044500000000, 0.0002571000000000 ] - [ -0.0039330800000000, -0.0006507700000000, 0.0002811400000000 ] - [ -0.0015964300000000, 0.0002574500000000, 0.0006086900000000 ] - [ -0.0015826400000000, 0.0000424400000000, 0.0004762600000000 ] - [ -0.0037829300000000, -0.0006483700000000, -0.0007021800000000 ] - [ -0.0037820700000000, -0.0005854300000000, -0.0007242100000000 ] - [ -0.0017579500000000, 0.0020500100000000, -0.0006027400000000 ] - [ -0.0010797200000000, -0.0015523500000000, 0.0005635300000000 ] - [ -0.0026782100000000, -0.0024687800000000, 0.0016607200000000 ] - [ -0.0005643700000000, 0.0006131000000000, -0.0002435500000000 ] - [ -0.0042947400000000, -0.0019824400000000, 0.0008724900000000 ] - [ -0.0034986200000000, -0.0010174800000000, 0.0006564500000000 ] - [ -0.0020255000000000, 0.0004140700000000, -0.0002150700000000 ] - [ -0.0019901400000000, 0.0008047500000000, -0.0004389600000000 ] - [ -0.0039267600000000, 0.0006543400000000, 0.0002709300000000 ] - [ -0.0039322000000000, 0.0005530700000000, 0.0002076600000000 ] - [ -0.0037834400000000, 0.0005929600000000, -0.0007294700000000 ] - [ -0.0037785600000000, 0.0006564900000000, -0.0006907100000000 ] - [ -0.0017597700000000, -0.0011369700000000, -0.0009168000000000 ] - [ -0.0008595500000000, 0.0010755600000000, 0.0005132200000000 ] - [ -0.0014758000000000, 0.0005353700000000, -0.0002823300000000 ] - [ -0.0014759500000000, 0.0005246900000000, -0.0002889200000000 ] - [ -0.0022245700000000, -0.0003083600000000, 0.0002257800000000 ] - [ -0.0025601000000000, 0.0000582500000000, 0.0002439400000000 ] - [ -0.0013550400000000, -0.0000551700000000, 0.0000146700000000 ] - [ -0.0013608500000000, -0.0000405700000000, 0.0000127900000000 ] - [ -0.0020528500000000, -0.0007594500000000, -0.0003166100000000 ] - [ -0.0019146600000000, -0.0005051100000000, -0.0002969900000000 ] - [ -0.0068296100000000, 0.0025582200000000, 0.0021005500000000 ] - [ -0.0030202900000000, 0.0011853700000000, 0.0005993500000000 ] - [ -0.0024799400000000, 0.0004109100000000, 0.0003150200000000 ] - [ -0.0022598000000000, 0.0000375100000000, 0.0001401400000000 ] - [ -0.0013631900000000, 0.0000529600000000, 0.0000173000000000 ] - [ -0.0013563900000000, 0.0000357400000000, 0.0000081200000000 ] - [ -0.0014729100000000, -0.0005231100000000, -0.0002882300000000 ] - [ -0.0014791700000000, -0.0005323700000000, -0.0002824000000000 ] - [ -0.0306749100000000, -0.0025973700000000, 0.0049523600000000 ] - [ 0.0023910900000000, 0.0000117900000000, -0.0000310700000000 ] - [ -0.0010164800000000, -0.0013499300000000, 0.0001798600000000 ] - [ -0.0020674400000000, 0.0025551200000000, 0.0017333800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0241204300000000, 0.0260606000000000, 0.0053712000000000 ] - [ 0.0037109700000000, -0.0050481700000000, 0.0003253700000000 ] - [ 0.0000924800000000, -0.0006484700000000, 0.0000169900000000 ] - [ -0.0023351400000000, 0.0008661700000000, 0.0002732300000000 ] - [ 0.0018369300000000, -0.0126526800000000, -0.0000828600000000 ] - [ 0.0060642500000000, -0.0008430700000000, -0.0023524400000000 ] - [ -0.0004155600000000, 0.0007888400000000, 0.0000147900000000 ] - [ -0.0026289900000000, -0.0012011500000000, 0.0002140500000000 ] - [ -0.0019271800000000, -0.0000872400000000, -0.0002198800000000 ] - [ -0.0021771500000000, 0.0000212500000000, -0.0002338000000000 ] - [ -0.0044027800000000, 0.0019640100000000, 0.0001962100000000 ] - [ -0.0001316300000000, -0.0011138500000000, 0.0000920100000000 ] - [ -0.0019639400000000, 0.0000923500000000, -0.0002208800000000 ] - [ -0.0022124400000000, -0.0000120700000000, -0.0002368000000000 ] - [ -0.0022434200000000, -0.0014189100000000, 0.0001631700000000 ] - [ 0.0008247800000000, 0.0011155600000000, -0.0000143800000000 ] - [ 0.0015173500000000, 0.0034865100000000, -0.0006341900000000 ] - [ -0.0013831400000000, -0.0051011300000000, -0.0015950600000000 ] - [ 0.0018487800000000, -0.0010071300000000, -0.0001605600000000 ] - [ -0.0025501200000000, 0.0016786600000000, 0.0010653200000000 ] - [ 0.0020177800000000, 0.0131520300000000, -0.0010195200000000 ] - [ 0.0040216400000000, -0.0069362200000000, 0.0003571300000000 ] - [ 0.0047706700000000, -0.0056759700000000, -0.0005379300000000 ] - [ -0.0097373100000000, 0.0028100000000000, 0.0079620300000000 ] - [ -0.0006107500000000, -0.0002387300000000, -0.0000792600000000 ] - [ -0.0004501400000000, 0.0002499000000000, -0.0003783800000000 ] - [ -0.0006754400000000, 0.0002443700000000, 0.0000192200000000 ] - [ -0.0004412100000000, -0.0001527800000000, -0.0003292700000000 ] - [ -0.0015602200000000, 0.0004496300000000, -0.0004815000000000 ] - [ -0.0015370700000000, 0.0005511900000000, -0.0004761300000000 ] - [ -0.0015825900000000, -0.0004722000000000, -0.0004799200000000 ] - [ -0.0015334200000000, -0.0005185500000000, -0.0004696100000000 ] - [ -0.0005997100000000, 0.0000217800000000, -0.0000297400000000 ] - [ -0.0008104100000000, 0.0003033500000000, -0.0000404800000000 ] - [ -0.0016074200000000, -0.0026162100000000, 0.0001559100000000 ] - [ 0.0010454600000000, 0.0009498100000000, 0.0003869400000000 ] - [ -0.0009127000000000, 0.0032716900000000, 0.0003856200000000 ] - [ 0.0004811400000000, -0.0012094200000000, -0.0000004900000000 ] - [ -0.0006332000000000, -0.0000105800000000, -0.0000307500000000 ] - [ -0.0007674600000000, -0.0003271800000000, -0.0000402000000000 ] - [ -0.0443139400000000, -0.0500739900000000, -0.0016376100000000 ] - [ -0.0021235600000000, 0.0021059900000000, -0.0008796700000000 ] - [ 0.0001512000000000, 0.0001444900000000, 0.0001146800000000 ] - [ 0.0005721300000000, 0.0003476000000000, -0.0000237500000000 ] - [ 0.0001395400000000, 0.0005458200000000, -0.0002708100000000 ] - [ 0.0005055700000000, -0.0007988400000000, 0.0002905000000000 ] - [ -0.0002607300000000, -0.0011406700000000, -0.0000814400000000 ] - [ 0.0030551000000000, 0.0014269200000000, -0.0001140900000000 ] - [ 0.0008542800000000, -0.0044028200000000, -0.0040645900000000 ] - [ -0.0016519400000000, 0.0033332500000000, 0.0004805900000000 ] - [ 0.0026000000000000, 0.0013936800000000, 0.0004027500000000 ] - [ -0.0024358400000000, 0.0008270400000000, 0.0007478600000000 ] - [ -0.0049111500000000, 0.0029794600000000, 0.0002635600000000 ] - [ -0.0048897300000000, -0.0012003800000000, -0.0009201800000000 ] - [ 0.0002463200000000, -0.0003773400000000, -0.0002080100000000 ] - [ 0.0004153800000000, 0.0008986600000000, 0.0004208000000000 ] - [ -0.0042797300000000, -0.0084490200000000, 0.0030337500000000 ] - [ -0.0005165400000000, 0.0033331200000000, -0.0016440800000000 ] - [ -0.0044028200000000, 0.0006760800000000, -0.0028213900000000 ] - [ 0.0022323100000000, 0.0040708100000000, 0.0039163500000000 ] - [ 0.0076480100000000, 0.0088485200000000, -0.0111565900000000 ] - [ -0.0009622300000000, 0.0010372700000000, -0.0006037400000000 ] - [ -0.0010541000000000, 0.0019177800000000, -0.0008117700000000 ] - [ 0.0058681000000000, -0.0011492800000000, 0.0034374200000000 ] - [ -0.0007246700000000, 0.0003967200000000, 0.0005286200000000 ] - [ 0.0017728200000000, 0.0004019300000000, -0.0006762800000000 ] - [ -0.0020849900000000, -0.0000660700000000, 0.0008851900000000 ] - [ 0.0090472600000000, 0.0095282700000000, -0.0092091900000000 ] - [ 0.0084551700000000, 0.0083837300000000, 0.0066198600000000 ] - [ -0.0014951400000000, 0.0018403300000000, 0.0008463100000000 ] - [ 0.0000920700000000, 0.0028246100000000, 0.0018745600000000 ] - [ -0.0075857500000000, -0.0013611300000000, 0.0031768600000000 ] - [ 0.0007674600000000, -0.0005254100000000, 0.0002361500000000 ] - [ 0.0013281700000000, -0.0007032700000000, 0.0002535500000000 ] - [ 0.0001739000000000, -0.0003202800000000, -0.0000113100000000 ] - [ 0.0005701000000000, -0.0003493600000000, -0.0000745400000000 ] - [ 0.0013550600000000, 0.0008250800000000, 0.0003479400000000 ] - [ 0.0014198400000000, 0.0008247200000000, 0.0003724600000000 ] - [ 0.0003087900000000, -0.0009480100000000, 0.0005414300000000 ] - [ 0.0004192900000000, 0.0012313400000000, -0.0001670800000000 ] - [ 0.0008827700000000, 0.0001397600000000, -0.0004413300000000 ] - [ -0.0000432000000000, -0.0002130500000000, -0.0000166200000000 ] - [ 0.0012044300000000, 0.0000398600000000, -0.0001702700000000 ] - [ 0.0002370300000000, -0.0005226700000000, 0.0000994100000000 ] - [ 0.0008168300000000, 0.0003753400000000, -0.0000069700000000 ] - [ 0.0007857400000000, 0.0003085700000000, 0.0000616900000000 ] - [ 0.0008599600000000, 0.0005065100000000, 0.0002372600000000 ] - [ 0.0014509500000000, 0.0007507500000000, 0.0003155600000000 ] - [ 0.0013694000000000, -0.0008247900000000, 0.0003550400000000 ] - [ 0.0014282200000000, -0.0008373000000000, 0.0003768600000000 ] - [ 0.0006260200000000, 0.0003183500000000, 0.0002608200000000 ] - [ -0.0001535500000000, 0.0004711400000000, 0.0001728200000000 ] - [ 0.0004654800000000, 0.0000898500000000, 0.0002313700000000 ] - [ 0.0005082300000000, 0.0000935800000000, 0.0002414900000000 ] - [ 0.0003956000000000, -0.0003779400000000, -0.0001362500000000 ] - [ 0.0004546600000000, -0.0005829000000000, -0.0001144600000000 ] - [ 0.0004315900000000, -0.0002453300000000, 0.0000485900000000 ] - [ 0.0004662600000000, -0.0003814800000000, 0.0001174500000000 ] - [ 0.0008114700000000, -0.0003310500000000, 0.0000004100000000 ] - [ 0.0007740000000000, -0.0003338500000000, 0.0000462800000000 ] - [ 0.0017698000000000, -0.0001661300000000, -0.0004979400000000 ] - [ 0.0004083700000000, 0.0004412900000000, 0.0000202300000000 ] - [ 0.0004219800000000, 0.0003393600000000, -0.0001545700000000 ] - [ 0.0004205500000000, 0.0005458100000000, -0.0001051700000000 ] - [ 0.0004355900000000, 0.0002543100000000, 0.0000558100000000 ] - [ 0.0004695100000000, 0.0003940200000000, 0.0001326000000000 ] - [ 0.0004635100000000, -0.0001018200000000, 0.0002258600000000 ] - [ 0.0005064200000000, -0.0001002700000000, 0.0002259300000000 ] - [ 0.0108188100000000, 0.0017534900000000, -0.0019824800000000 ] - [ -0.0008957200000000, -0.0002300900000000, 0.0003454600000000 ] - [ 0.0003791400000000, 0.0006488300000000, 0.0001355700000000 ] - [ 0.0002029600000000, -0.0012854800000000, -0.0003507000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0249515100000000, -0.0264794500000000, -0.0055139800000000 ] - [ -0.0045217500000000, 0.0051757800000000, -0.0004239600000000 ] - [ 0.0006581600000000, 0.0007709800000000, -0.0001092700000000 ] - [ 0.0030973000000000, -0.0007583400000000, -0.0003661000000000 ] - [ -0.0026041300000000, 0.0125807900000000, 0.0000086100000000 ] - [ -0.0069117500000000, 0.0006507000000000, 0.0022255700000000 ] - [ 0.0011655900000000, -0.0009087000000000, -0.0001073600000000 ] - [ 0.0033949600000000, 0.0010899700000000, -0.0003056100000000 ] - [ 0.0012189500000000, 0.0002076500000000, 0.0001303600000000 ] - [ 0.0014678600000000, 0.0000974300000000, 0.0001445900000000 ] - [ 0.0052403900000000, -0.0018660000000000, -0.0002954900000000 ] - [ 0.0008663000000000, 0.0012324200000000, -0.0001834700000000 ] - [ 0.0012518200000000, -0.0002116500000000, 0.0001309100000000 ] - [ 0.0015043900000000, -0.0001076200000000, 0.0001477300000000 ] - [ 0.0029833400000000, 0.0013251300000000, -0.0002533600000000 ] - [ -0.0000803400000000, -0.0012579700000000, -0.0000800700000000 ] - [ -0.0005152900000000, -0.0040097800000000, -0.0000450800000000 ] - [ 0.0024287100000000, 0.0046105500000000, 0.0009382300000000 ] - [ -0.0008354700000000, 0.0015389900000000, -0.0005060300000000 ] - [ 0.0035824300000000, -0.0012253000000000, -0.0017754400000000 ] - [ -0.0030919100000000, -0.0126463200000000, 0.0003508700000000 ] - [ -0.0050911000000000, 0.0075159200000000, -0.0010518300000000 ] - [ -0.0057920600000000, 0.0051341400000000, -0.0001680200000000 ] - [ 0.0085772000000000, -0.0039833800000000, -0.0085787700000000 ] - [ 0.0016379500000000, -0.0002866600000000, -0.0005975200000000 ] - [ 0.0014791400000000, -0.0007838200000000, -0.0002962100000000 ] - [ 0.0017081500000000, 0.0002825700000000, -0.0007019000000000 ] - [ 0.0014651900000000, 0.0006797000000000, -0.0003471300000000 ] - [ 0.0005619000000000, 0.0000675500000000, -0.0001931100000000 ] - [ 0.0005399200000000, -0.0000348700000000, -0.0001978700000000 ] - [ 0.0005859900000000, -0.0000442200000000, -0.0001939500000000 ] - [ 0.0005356500000000, -0.0000000300000000, -0.0002047300000000 ] - [ 0.0006090400000000, 0.0003047300000000, -0.0000371900000000 ] - [ 0.0008194400000000, 0.0000211500000000, -0.0000266600000000 ] - [ 0.0016050000000000, 0.0023288200000000, -0.0002167700000000 ] - [ -0.0010505000000000, -0.0013068500000000, -0.0004508700000000 ] - [ 0.0009094000000000, -0.0029408000000000, -0.0004655800000000 ] - [ -0.0004941900000000, 0.0015371700000000, -0.0000672400000000 ] - [ 0.0006423700000000, -0.0003177700000000, -0.0000349100000000 ] - [ 0.0007772600000000, 0.0000004200000000, -0.0000245700000000 ] - [ 0.0453515300000000, 0.0523049500000000, 0.0017258500000000 ] - [ 0.0027086300000000, -0.0010785100000000, 0.0011474400000000 ] - [ -0.0002813800000000, 0.0002302500000000, 0.0001282400000000 ] - [ -0.0007037900000000, 0.0000315500000000, 0.0002641800000000 ] - [ -0.0002653400000000, -0.0010709300000000, 0.0004140200000000 ] - [ -0.0006308800000000, 0.0002828900000000, -0.0001500600000000 ] - [ -0.0002736400000000, 0.0001148700000000, 0.0003352300000000 ] - [ -0.0036179800000000, -0.0024530600000000, 0.0003775800000000 ] - [ -0.0004723500000000, 0.0052785900000000, 0.0040064500000000 ] - [ 0.0020292500000000, -0.0025511700000000, -0.0005688700000000 ] - [ -0.0025810300000000, -0.0001649900000000, 0.0001009700000000 ] - [ 0.0024476400000000, 0.0004232600000000, -0.0002402200000000 ] - [ 0.0054814400000000, -0.0040390900000000, -0.0000026700000000 ] - [ 0.0055033200000000, 0.0001526100000000, 0.0011889100000000 ] - [ -0.0003692600000000, 0.0009049400000000, 0.0003547200000000 ] - [ -0.0005424700000000, -0.0003785800000000, -0.0002764700000000 ] - [ 0.0043886900000000, 0.0089009100000000, -0.0028160400000000 ] - [ 0.0006558200000000, -0.0029743800000000, 0.0018935500000000 ] - [ 0.0039729200000000, -0.0014503200000000, 0.0026883900000000 ] - [ -0.0026379700000000, -0.0049073500000000, -0.0040651900000000 ] - [ -0.0074477000000000, -0.0093811300000000, 0.0112545500000000 ] - [ 0.0010966300000000, -0.0015505000000000, 0.0007440900000000 ] - [ 0.0014286200000000, -0.0027261700000000, 0.0007194000000000 ] - [ -0.0054810100000000, 0.0004259400000000, -0.0035064400000000 ] - [ 0.0001903300000000, 0.0006248800000000, -0.0002692100000000 ] - [ -0.0023221800000000, 0.0006309800000000, 0.0009377300000000 ] - [ 0.0017241900000000, 0.0008417400000000, -0.0009528400000000 ] - [ -0.0095738400000000, -0.0088785200000000, 0.0092822300000000 ] - [ -0.0082244000000000, -0.0079109300000000, -0.0064577800000000 ] - [ 0.0016345700000000, -0.0013048900000000, -0.0006905200000000 ] - [ 0.0000452100000000, -0.0032165400000000, -0.0016401400000000 ] - [ 0.0077397000000000, 0.0010941300000000, -0.0028926700000000 ] - [ -0.0007803900000000, -0.0007127200000000, 0.0002729200000000 ] - [ -0.0013434300000000, -0.0005330600000000, 0.0002564500000000 ] - [ -0.0003041300000000, -0.0000617000000000, 0.0002490900000000 ] - [ -0.0007023300000000, -0.0000305700000000, 0.0003133600000000 ] - [ -0.0008514500000000, 0.0001937800000000, -0.0000969600000000 ] - [ -0.0009127000000000, 0.0001940100000000, -0.0001210800000000 ] - [ -0.0004383300000000, 0.0013436700000000, -0.0003123700000000 ] - [ -0.0005444600000000, -0.0008554400000000, 0.0004021500000000 ] - [ -0.0010122500000000, -0.0006802300000000, 0.0006022900000000 ] - [ -0.0000750000000000, -0.0003024300000000, 0.0001593800000000 ] - [ -0.0017434100000000, -0.0010675700000000, 0.0004279700000000 ] - [ -0.0007690800000000, -0.0004998800000000, 0.0001569800000000 ] - [ -0.0004532000000000, 0.0004191400000000, -0.0000862400000000 ] - [ -0.0004213200000000, 0.0004900100000000, -0.0001567400000000 ] - [ -0.0008762700000000, 0.0007315900000000, 0.0002715300000000 ] - [ -0.0014709600000000, 0.0004853900000000, 0.0001928800000000 ] - [ -0.0008495700000000, -0.0001982300000000, -0.0001017600000000 ] - [ -0.0009176600000000, -0.0001831000000000, -0.0001250800000000 ] - [ -0.0007515200000000, 0.0001836200000000, -0.0001312800000000 ] - [ 0.0000335600000000, 0.0000497700000000, -0.0000291600000000 ] - [ -0.0003453100000000, 0.0002859100000000, 0.0000110500000000 ] - [ -0.0003886900000000, 0.0002839100000000, 0.0000001000000000 ] - [ -0.0007756900000000, -0.0004212000000000, 0.0000445600000000 ] - [ -0.0008400800000000, -0.0002119500000000, 0.0000225000000000 ] - [ -0.0003197300000000, -0.0002737000000000, 0.0000927300000000 ] - [ -0.0003536300000000, -0.0001383800000000, 0.0000230700000000 ] - [ -0.0004472100000000, -0.0004663800000000, -0.0000928200000000 ] - [ -0.0004089900000000, -0.0004627100000000, -0.0001390800000000 ] - [ -0.0023398200000000, 0.0012022200000000, 0.0007674700000000 ] - [ -0.0009415400000000, 0.0005825800000000, 0.0002347000000000 ] - [ -0.0008072700000000, 0.0004568100000000, 0.0000620500000000 ] - [ -0.0008009800000000, 0.0002500100000000, 0.0000107000000000 ] - [ -0.0003221800000000, 0.0002704500000000, 0.0000909200000000 ] - [ -0.0003577500000000, 0.0001297100000000, 0.0000131000000000 ] - [ -0.0003435800000000, -0.0002818300000000, 0.0000100700000000 ] - [ -0.0003877000000000, -0.0002825600000000, 0.0000112500000000 ] - [ -0.0110566800000000, -0.0029675900000000, 0.0025283100000000 ] - [ 0.0009152600000000, -0.0010039300000000, 0.0001631300000000 ] - [ -0.0005035000000000, -0.0010341300000000, 0.0001047200000000 ] - [ -0.0003380800000000, 0.0009282700000000, 0.0006059600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008352600000000, 0.0014017700000000, 0.0138206800000000 ] - [ 0.0016154000000000, 0.0001557900000000, 0.0002437800000000 ] - [ -0.0014204000000000, 0.0006447400000000, 0.0001378600000000 ] - [ -0.0007146900000000, -0.0002924800000000, 0.0000609200000000 ] - [ 0.0020536600000000, -0.0000520900000000, -0.0056646900000000 ] - [ 0.0022263100000000, 0.0022977700000000, -0.0063628300000000 ] - [ -0.0013582000000000, -0.0003666500000000, 0.0001459300000000 ] - [ -0.0001198100000000, 0.0001840100000000, 0.0000523100000000 ] - [ -0.0016699400000000, 0.0000185200000000, -0.0001812700000000 ] - [ -0.0015935700000000, -0.0000439100000000, -0.0001746400000000 ] - [ -0.0037779200000000, 0.0010789200000000, 0.0007176500000000 ] - [ 0.0000031200000000, -0.0002353400000000, -0.0000516000000000 ] - [ -0.0016875400000000, -0.0000025300000000, -0.0001811600000000 ] - [ -0.0015443100000000, 0.0000251700000000, -0.0001697000000000 ] - [ 0.0000152800000000, -0.0008878300000000, 0.0001406800000000 ] - [ 0.0000372900000000, 0.0007942400000000, 0.0000427200000000 ] - [ -0.0000557000000000, -0.0004795900000000, -0.0001982400000000 ] - [ 0.0010640800000000, 0.0003790500000000, -0.0005165300000000 ] - [ -0.0005552800000000, 0.0024871500000000, 0.0005135800000000 ] - [ 0.0005016700000000, -0.0033972200000000, -0.0010003100000000 ] - [ -0.0069278000000000, -0.0049132900000000, -0.0012381300000000 ] - [ 0.0001684000000000, 0.0011506400000000, 0.0000708000000000 ] - [ 0.0031101900000000, 0.0016231300000000, -0.0003280200000000 ] - [ 0.0072628100000000, 0.0019613000000000, 0.0014827800000000 ] - [ -0.0002084300000000, -0.0002881000000000, -0.0002155700000000 ] - [ -0.0002657500000000, 0.0002227900000000, -0.0003816100000000 ] - [ -0.0004246800000000, 0.0001237000000000, 0.0000237700000000 ] - [ -0.0001161100000000, 0.0000913500000000, -0.0003137700000000 ] - [ -0.0012715300000000, 0.0003841000000000, -0.0004466600000000 ] - [ -0.0012712500000000, 0.0004982100000000, -0.0004419800000000 ] - [ -0.0013403100000000, -0.0004728800000000, -0.0004523600000000 ] - [ -0.0012329700000000, -0.0003979000000000, -0.0004207400000000 ] - [ -0.0005435500000000, 0.0002489900000000, -0.0000334500000000 ] - [ -0.0005056700000000, 0.0000863600000000, -0.0000320400000000 ] - [ -0.0003913900000000, -0.0019377600000000, 0.0003801600000000 ] - [ -0.0002908100000000, 0.0013946000000000, 0.0010330300000000 ] - [ 0.0001735500000000, -0.0002200500000000, -0.0010464100000000 ] - [ 0.0004239500000000, 0.0001533400000000, -0.0000101100000000 ] - [ -0.0005821000000000, -0.0002105600000000, -0.0000384200000000 ] - [ -0.0004736900000000, -0.0001179200000000, -0.0000316200000000 ] - [ -0.0218246900000000, -0.0011511100000000, -0.0402012900000000 ] - [ -0.0012924700000000, -0.0004939800000000, 0.0000147200000000 ] - [ 0.0003437700000000, 0.0002505400000000, 0.0000223900000000 ] - [ 0.0001867300000000, 0.0003277600000000, -0.0000207000000000 ] - [ 0.0002540300000000, -0.0005319600000000, 0.0002255200000000 ] - [ 0.0002160300000000, 0.0000244500000000, -0.0000334700000000 ] - [ 0.0009508500000000, -0.0003031100000000, -0.0002480100000000 ] - [ -0.0004196700000000, -0.0002634700000000, 0.0002075000000000 ] - [ 0.0022300800000000, 0.0065881400000000, 0.0092897500000000 ] - [ -0.0003437800000000, -0.0006598600000000, -0.0001473500000000 ] - [ -0.0007469100000000, 0.0009569900000000, 0.0009399300000000 ] - [ -0.0005736000000000, 0.0001348700000000, 0.0010424500000000 ] - [ -0.0014883800000000, -0.0006533800000000, 0.0000140900000000 ] - [ -0.0026770200000000, 0.0005094200000000, 0.0009157700000000 ] - [ 0.0003260700000000, 0.0004549600000000, 0.0001366300000000 ] - [ 0.0001374600000000, -0.0001153000000000, -0.0000938200000000 ] - [ 0.0112781300000000, -0.0064134200000000, 0.0070642500000000 ] - [ -0.0006213100000000, 0.0007510500000000, 0.0001751900000000 ] - [ 0.0010709200000000, -0.0019785900000000, -0.0007011300000000 ] - [ -0.0018453900000000, -0.0011833100000000, -0.0014849200000000 ] - [ -0.0070410100000000, -0.0060573600000000, 0.0030933000000000 ] - [ -0.0003530900000000, -0.0009932300000000, 0.0004713300000000 ] - [ -0.0004661700000000, -0.0011869200000000, -0.0001983500000000 ] - [ 0.0051783300000000, 0.0032838600000000, 0.0008625300000000 ] - [ 0.0013222500000000, -0.0002888700000000, 0.0001105900000000 ] - [ 0.0002787900000000, 0.0009073900000000, 0.0001134000000000 ] - [ 0.0030779100000000, -0.0054388400000000, 0.0055390000000000 ] - [ -0.0026090600000000, -0.0000608600000000, 0.0021384700000000 ] - [ 0.0058938200000000, 0.0085256100000000, 0.0040947500000000 ] - [ -0.0003853800000000, 0.0000300700000000, 0.0004292900000000 ] - [ -0.0004405900000000, -0.0002509100000000, 0.0000074700000000 ] - [ -0.0071629700000000, 0.0038694700000000, 0.0026606800000000 ] - [ 0.0009167100000000, -0.0006766900000000, 0.0002729700000000 ] - [ 0.0007298900000000, -0.0005651200000000, 0.0002536800000000 ] - [ 0.0003448900000000, -0.0003074200000000, 0.0000140200000000 ] - [ 0.0001629100000000, -0.0001343200000000, 0.0001447600000000 ] - [ 0.0011066200000000, 0.0007547200000000, 0.0003012500000000 ] - [ 0.0010856400000000, 0.0007298800000000, 0.0003014400000000 ] - [ 0.0001023200000000, -0.0003752100000000, 0.0005569100000000 ] - [ 0.0000875900000000, 0.0005763100000000, 0.0001217900000000 ] - [ 0.0004722600000000, 0.0004161100000000, -0.0005151200000000 ] - [ 0.0000147500000000, -0.0004644100000000, 0.0001499000000000 ] - [ 0.0004716100000000, -0.0002141600000000, 0.0000041600000000 ] - [ 0.0002610700000000, -0.0004804300000000, 0.0000552700000000 ] - [ 0.0006504200000000, 0.0004346800000000, -0.0000271600000000 ] - [ 0.0006337500000000, 0.0002847200000000, 0.0000531400000000 ] - [ 0.0009290000000000, 0.0006521700000000, 0.0002572900000000 ] - [ 0.0006241100000000, 0.0005806400000000, 0.0002336600000000 ] - [ 0.0011183100000000, -0.0007377600000000, 0.0003129200000000 ] - [ 0.0010761000000000, -0.0007590500000000, 0.0002801300000000 ] - [ 0.0002893500000000, 0.0007289400000000, 0.0004799500000000 ] - [ -0.0000516100000000, 0.0001932500000000, 0.0000387300000000 ] - [ 0.0003867700000000, 0.0001141200000000, 0.0002027100000000 ] - [ 0.0003666900000000, 0.0001300300000000, 0.0001985000000000 ] - [ 0.0002060100000000, -0.0004124200000000, -0.0001055400000000 ] - [ 0.0003452000000000, -0.0005447400000000, -0.0001268400000000 ] - [ 0.0003543500000000, -0.0003311600000000, 0.0001009900000000 ] - [ 0.0003467000000000, -0.0002771900000000, 0.0000684900000000 ] - [ 0.0006570400000000, -0.0002963100000000, 0.0000000500000000 ] - [ 0.0006007600000000, -0.0003986300000000, -0.0000059100000000 ] - [ 0.0016955500000000, -0.0001159000000000, -0.0006101100000000 ] - [ 0.0002042100000000, 0.0004027700000000, 0.0000570600000000 ] - [ 0.0003061800000000, 0.0003585500000000, -0.0001364700000000 ] - [ 0.0002156000000000, 0.0004780600000000, -0.0000760300000000 ] - [ 0.0003614600000000, 0.0003299900000000, 0.0000977300000000 ] - [ 0.0003364100000000, 0.0002727100000000, 0.0000646800000000 ] - [ 0.0003867900000000, -0.0001287200000000, 0.0002029700000000 ] - [ 0.0003675400000000, -0.0001116700000000, 0.0002037600000000 ] - [ 0.0104428400000000, -0.0001156900000000, 0.0011782300000000 ] - [ -0.0005921700000000, -0.0008934200000000, 0.0003425300000000 ] - [ 0.0001715400000000, 0.0001481500000000, 0.0000095200000000 ] - [ 0.0002135800000000, -0.0009250400000000, -0.0003307900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0022890500000000, -0.0014412100000000, -0.0143081800000000 ] - [ -0.0024078700000000, -0.0000243800000000, -0.0003462100000000 ] - [ 0.0021947600000000, -0.0005414000000000, -0.0002304000000000 ] - [ 0.0014777000000000, 0.0004128600000000, -0.0001514200000000 ] - [ -0.0028417000000000, -0.0000093100000000, 0.0056219600000000 ] - [ -0.0030896200000000, -0.0024395300000000, 0.0062200100000000 ] - [ 0.0021304600000000, 0.0002583300000000, -0.0002392900000000 ] - [ 0.0008669300000000, -0.0003021100000000, -0.0001415000000000 ] - [ 0.0009672500000000, 0.0000991200000000, 0.0000944600000000 ] - [ 0.0008872100000000, 0.0001622900000000, 0.0000877000000000 ] - [ 0.0046354600000000, -0.0009944400000000, -0.0008078600000000 ] - [ 0.0007344200000000, 0.0003590200000000, -0.0000377100000000 ] - [ 0.0009812500000000, -0.0001143600000000, 0.0000943600000000 ] - [ 0.0008367700000000, -0.0001425300000000, 0.0000829300000000 ] - [ 0.0007351000000000, 0.0008044100000000, -0.0002326300000000 ] - [ 0.0006979600000000, -0.0009404600000000, -0.0001367800000000 ] - [ 0.0011039400000000, -0.0000518800000000, -0.0004439600000000 ] - [ -0.0000556300000000, -0.0009069600000000, -0.0001674500000000 ] - [ 0.0015840800000000, -0.0020002700000000, -0.0012134300000000 ] - [ 0.0005199300000000, 0.0039534500000000, 0.0002977500000000 ] - [ 0.0056605000000000, 0.0056121800000000, -0.0004831900000000 ] - [ -0.0012097500000000, -0.0006184500000000, -0.0007458700000000 ] - [ -0.0041995700000000, -0.0021953500000000, -0.0003409600000000 ] - [ -0.0083324600000000, -0.0024275500000000, -0.0020760400000000 ] - [ 0.0012365100000000, -0.0002359400000000, -0.0004629700000000 ] - [ 0.0012939800000000, -0.0007579200000000, -0.0002930200000000 ] - [ 0.0014582900000000, 0.0004021000000000, -0.0007081800000000 ] - [ 0.0011404700000000, 0.0004374100000000, -0.0003624300000000 ] - [ 0.0002788300000000, 0.0001337700000000, -0.0002272300000000 ] - [ 0.0002791100000000, 0.0000180800000000, -0.0002316600000000 ] - [ 0.0003495600000000, -0.0000434400000000, -0.0002208000000000 ] - [ 0.0002398100000000, -0.0001203600000000, -0.0002539800000000 ] - [ 0.0005558000000000, 0.0000756600000000, -0.0000349100000000 ] - [ 0.0005158700000000, 0.0002413300000000, -0.0000363300000000 ] - [ 0.0003902500000000, 0.0016588800000000, -0.0004473400000000 ] - [ 0.0002823500000000, -0.0017458000000000, -0.0010938800000000 ] - [ -0.0001773600000000, 0.0005421100000000, 0.0009593000000000 ] - [ -0.0004365700000000, 0.0001810500000000, -0.0000587700000000 ] - [ 0.0005955500000000, -0.0001158400000000, -0.0000290800000000 ] - [ 0.0004837000000000, -0.0002099100000000, -0.0000347300000000 ] - [ 0.0235621700000000, 0.0022150300000000, 0.0417932400000000 ] - [ 0.0018698900000000, 0.0015377800000000, 0.0002484200000000 ] - [ -0.0004755800000000, 0.0001265700000000, 0.0002195300000000 ] - [ -0.0003148600000000, 0.0000511600000000, 0.0002616000000000 ] - [ -0.0003803900000000, 0.0000200400000000, -0.0000878900000000 ] - [ -0.0003407800000000, -0.0005463600000000, 0.0001775600000000 ] - [ -0.0015086300000000, -0.0007241500000000, 0.0005116200000000 ] - [ -0.0001141100000000, -0.0007599900000000, 0.0000480800000000 ] - [ -0.0020160700000000, -0.0059701800000000, -0.0094612800000000 ] - [ 0.0007272600000000, 0.0014753000000000, 0.0000577000000000 ] - [ 0.0007536600000000, 0.0002649800000000, -0.0004406200000000 ] - [ 0.0006038600000000, 0.0011028200000000, -0.0005319700000000 ] - [ 0.0020793800000000, -0.0003917000000000, 0.0002485600000000 ] - [ 0.0033112200000000, -0.0016037500000000, -0.0006431700000000 ] - [ -0.0004530000000000, 0.0000616800000000, 0.0000072000000000 ] - [ -0.0002621600000000, 0.0006434300000000, 0.0002435800000000 ] - [ -0.0110423200000000, 0.0067724900000000, -0.0068642000000000 ] - [ 0.0007583600000000, -0.0003897900000000, 0.0000715500000000 ] - [ -0.0014577600000000, 0.0012068300000000, 0.0006487800000000 ] - [ 0.0014809000000000, 0.0003742300000000, 0.0013865500000000 ] - [ 0.0072561100000000, 0.0055917100000000, -0.0029284900000000 ] - [ 0.0004846300000000, 0.0004678000000000, -0.0003198900000000 ] - [ 0.0008527100000000, 0.0003997000000000, 0.0001087800000000 ] - [ -0.0047834200000000, -0.0040649600000000, -0.0008923200000000 ] - [ -0.0018894200000000, 0.0013301900000000, 0.0001502800000000 ] - [ -0.0008296300000000, 0.0001147800000000, 0.0001528900000000 ] - [ -0.0035315200000000, 0.0063702900000000, -0.0057080800000000 ] - [ 0.0022675600000000, 0.0008672800000000, -0.0022440600000000 ] - [ -0.0057318800000000, -0.0080906900000000, -0.0040797000000000 ] - [ 0.0005186700000000, 0.0004942000000000, -0.0002838400000000 ] - [ 0.0005718500000000, -0.0001425400000000, 0.0002267000000000 ] - [ 0.0073080100000000, -0.0041926200000000, -0.0023136100000000 ] - [ -0.0009367900000000, -0.0005591500000000, 0.0002366900000000 ] - [ -0.0007464000000000, -0.0006727000000000, 0.0002577000000000 ] - [ -0.0004765500000000, -0.0000744900000000, 0.0002233400000000 ] - [ -0.0002907100000000, -0.0002516500000000, 0.0000890500000000 ] - [ -0.0006013200000000, 0.0002650900000000, -0.0000493400000000 ] - [ -0.0005762600000000, 0.0002896800000000, -0.0000490200000000 ] - [ -0.0002282400000000, 0.0007802500000000, -0.0003334800000000 ] - [ -0.0002111500000000, -0.0002022200000000, 0.0001137200000000 ] - [ -0.0006097800000000, -0.0009569800000000, 0.0006803000000000 ] - [ -0.0001317700000000, -0.0000483400000000, -0.0000064300000000 ] - [ -0.0010211700000000, -0.0008176100000000, 0.0002570000000000 ] - [ -0.0007989500000000, -0.0005432900000000, 0.0002030800000000 ] - [ -0.0002885300000000, 0.0003607800000000, -0.0000668700000000 ] - [ -0.0002712400000000, 0.0005142100000000, -0.0001489400000000 ] - [ -0.0009522300000000, 0.0005845600000000, 0.0002526200000000 ] - [ -0.0006399800000000, 0.0006568100000000, 0.0002771700000000 ] - [ -0.0005988600000000, -0.0002850900000000, -0.0000590500000000 ] - [ -0.0005633500000000, -0.0002618900000000, -0.0000264200000000 ] - [ -0.0004167200000000, -0.0002290900000000, -0.0003491300000000 ] - [ -0.0000664500000000, 0.0003229500000000, 0.0001045900000000 ] - [ -0.0002709100000000, 0.0002656900000000, 0.0000366300000000 ] - [ -0.0002502200000000, 0.0002504800000000, 0.0000404700000000 ] - [ -0.0005863000000000, -0.0003858500000000, 0.0000147600000000 ] - [ -0.0007310300000000, -0.0002500300000000, 0.0000346900000000 ] - [ -0.0002440500000000, -0.0001845900000000, 0.0000407900000000 ] - [ -0.0002354600000000, -0.0002407400000000, 0.0000731500000000 ] - [ -0.0002947600000000, -0.0005017500000000, -0.0000937500000000 ] - [ -0.0002376400000000, -0.0003984300000000, -0.0000875600000000 ] - [ -0.0022742500000000, 0.0011548900000000, 0.0008834800000000 ] - [ -0.0007435500000000, 0.0006226300000000, 0.0002005100000000 ] - [ -0.0006921300000000, 0.0004387700000000, 0.0000446200000000 ] - [ -0.0005967600000000, 0.0003177500000000, -0.0000176600000000 ] - [ -0.0002500400000000, 0.0001894900000000, 0.0000475300000000 ] - [ -0.0002257800000000, 0.0002484600000000, 0.0000807600000000 ] - [ -0.0002710000000000, -0.0002562100000000, 0.0000314500000000 ] - [ -0.0002522000000000, -0.0002732100000000, 0.0000318500000000 ] - [ -0.0107332400000000, -0.0011413700000000, -0.0005725200000000 ] - [ 0.0006085900000000, -0.0003438100000000, 0.0001680000000000 ] - [ -0.0002946200000000, -0.0005400700000000, 0.0002262200000000 ] - [ -0.0003470900000000, 0.0005718900000000, 0.0005861900000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0027048400000000, -0.0000162300000000, -0.0003005500000000 ] - [ -0.0026722500000000, -0.0001193600000000, -0.0003017400000000 ] - [ 0.0234679900000000, 0.0077315400000000, -0.0087119800000000 ] - [ 0.0072416600000000, 0.0013404400000000, -0.0014178100000000 ] - [ -0.0027354000000000, 0.0000477400000000, -0.0003091500000000 ] - [ -0.0026117800000000, 0.0000813500000000, -0.0002890100000000 ] - [ 0.0213688100000000, 0.0000344200000000, 0.0044192200000000 ] - [ 0.0074274100000000, -0.0060126500000000, -0.0016668000000000 ] - [ -0.0048705500000000, 0.0014965600000000, 0.0005976400000000 ] - [ -0.0007389300000000, -0.0024419800000000, 0.0001938300000000 ] - [ -0.0019527700000000, 0.0001874700000000, 0.0002019500000000 ] - [ -0.0019462300000000, 0.0001875500000000, 0.0002025800000000 ] - [ -0.0049988100000000, -0.0015692100000000, -0.0003467400000000 ] - [ 0.0002691600000000, 0.0026208900000000, -0.0009890200000000 ] - [ -0.0019547300000000, -0.0001832100000000, 0.0002045500000000 ] - [ -0.0019419400000000, -0.0001915700000000, 0.0002021800000000 ] - [ -0.0035640800000000, 0.0043627800000000, 0.0000741900000000 ] - [ 0.0010204700000000, -0.0021367500000000, -0.0004799000000000 ] - [ -0.0039449900000000, -0.0008325000000000, 0.0011527800000000 ] - [ 0.0012918700000000, 0.0013297900000000, -0.0007053600000000 ] - [ -0.0022501000000000, 0.0013566300000000, -0.0007403100000000 ] - [ -0.0016110400000000, -0.0002712100000000, -0.0004749500000000 ] - [ -0.0025099400000000, -0.0012382900000000, -0.0005553300000000 ] - [ -0.0014447600000000, 0.0000400400000000, -0.0003970500000000 ] - [ -0.0009610300000000, 0.0001351700000000, -0.0001382600000000 ] - [ -0.0008877700000000, -0.0000241500000000, -0.0001598200000000 ] - [ -0.0009870100000000, -0.0001188500000000, -0.0001325200000000 ] - [ -0.0008863300000000, 0.0000165600000000, -0.0001606300000000 ] - [ -0.0022355200000000, 0.0007479200000000, -0.0005533600000000 ] - [ -0.0017698800000000, 0.0003020500000000, -0.0004503800000000 ] - [ -0.0021882300000000, -0.0007323400000000, -0.0006048500000000 ] - [ -0.0017104100000000, -0.0003902300000000, -0.0004181600000000 ] - [ 0.0067174000000000, 0.0015445200000000, 0.0020194100000000 ] - [ 0.0035160200000000, -0.0020918100000000, -0.0001318100000000 ] - [ -0.0009741100000000, -0.0001602900000000, -0.0000316400000000 ] - [ -0.0009581400000000, -0.0001592300000000, -0.0000340500000000 ] - [ -0.0009703500000000, 0.0001658500000000, -0.0000330100000000 ] - [ -0.0009610100000000, 0.0001534900000000, -0.0000338000000000 ] - [ 0.0039535300000000, -0.0037898900000000, -0.0008644800000000 ] - [ 0.0040617300000000, 0.0007889900000000, 0.0003223900000000 ] - [ 0.0017682300000000, 0.0007243000000000, 0.0005370200000000 ] - [ 0.0018458300000000, 0.0011473500000000, 0.0003784600000000 ] - [ -0.0562929200000000, -0.0080879600000000, 0.0135371200000000 ] - [ -0.0027002700000000, 0.0006110600000000, 0.0001486000000000 ] - [ -0.0014915600000000, 0.0061416600000000, -0.0088466800000000 ] - [ -0.0015860500000000, -0.0066333400000000, 0.0040234700000000 ] - [ 0.0047921200000000, -0.0082313700000000, 0.0074298200000000 ] - [ -0.0017470400000000, -0.0004887000000000, 0.0006341100000000 ] - [ 0.0011883700000000, -0.0006950200000000, 0.0004732700000000 ] - [ 0.0009838000000000, 0.0016206200000000, -0.0005291600000000 ] - [ 0.0014963200000000, 0.0006202900000000, 0.0002569200000000 ] - [ 0.0014799000000000, 0.0006135700000000, 0.0002511800000000 ] - [ 0.0017993700000000, -0.0007478000000000, 0.0005379600000000 ] - [ 0.0017831300000000, -0.0011447900000000, 0.0003540700000000 ] - [ -0.0034259700000000, -0.0037414400000000, -0.0010336600000000 ] - [ -0.0038161000000000, 0.0087095400000000, 0.0029156800000000 ] - [ 0.0006464500000000, 0.0000402000000000, 0.0002875000000000 ] - [ 0.0006458300000000, 0.0000775100000000, 0.0002645900000000 ] - [ 0.0011529500000000, -0.0009183600000000, -0.0000200800000000 ] - [ -0.0001801500000000, -0.0003142000000000, -0.0000165100000000 ] - [ 0.0006035000000000, -0.0003551600000000, 0.0001032600000000 ] - [ 0.0005912300000000, -0.0003281500000000, 0.0000842800000000 ] - [ 0.0013508600000000, 0.0007698900000000, 0.0002834000000000 ] - [ 0.0007315400000000, -0.0012592600000000, -0.0002558100000000 ] - [ 0.0102985200000000, 0.0048930200000000, -0.0111379900000000 ] - [ -0.0024296100000000, 0.0010974800000000, 0.0008182300000000 ] - [ 0.0017390900000000, -0.0003096300000000, -0.0006471900000000 ] - [ -0.0001697600000000, 0.0006054200000000, 0.0000540400000000 ] - [ 0.0006131700000000, 0.0003330500000000, 0.0000965400000000 ] - [ 0.0005819900000000, 0.0003582700000000, 0.0000944200000000 ] - [ 0.0006549000000000, -0.0000413300000000, 0.0002879400000000 ] - [ 0.0006398100000000, -0.0000819300000000, 0.0002605700000000 ] - [ -0.0005331800000000, -0.0075211400000000, 0.0021102200000000 ] - [ -0.0038845100000000, 0.0040469400000000, 0.0001400200000000 ] - [ -0.0065289900000000, -0.0017524200000000, -0.0006964100000000 ] - [ -0.0027310200000000, 0.0012972300000000, 0.0014791000000000 ] - [ 0.0019552800000000, 0.0008828300000000, 0.0002917100000000 ] - [ 0.0012816900000000, 0.0009906000000000, 0.0002775900000000 ] - [ 0.0005206800000000, 0.0003194500000000, -0.0000350900000000 ] - [ 0.0005211100000000, 0.0003194900000000, -0.0000333400000000 ] - [ 0.0004806000000000, -0.0001825300000000, 0.0000511700000000 ] - [ 0.0004776700000000, -0.0001774700000000, 0.0000494100000000 ] - [ 0.0012729400000000, -0.0001053100000000, -0.0002001300000000 ] - [ 0.0012807300000000, -0.0000623500000000, -0.0001819100000000 ] - [ 0.0011002000000000, 0.0003134000000000, 0.0000799500000000 ] - [ 0.0009258900000000, 0.0003202700000000, 0.0000308600000000 ] - [ 0.0027946700000000, 0.0102756600000000, -0.0050911700000000 ] - [ -0.0042743200000000, -0.0020378300000000, 0.0009708900000000 ] - [ 0.0022760400000000, -0.0007835700000000, 0.0004107000000000 ] - [ 0.0012184600000000, -0.0009504100000000, 0.0003607200000000 ] - [ 0.0004811200000000, 0.0001760300000000, 0.0000467800000000 ] - [ 0.0004777900000000, 0.0001797600000000, 0.0000491600000000 ] - [ 0.0006646300000000, 0.0000125800000000, 0.0004413500000000 ] - [ -0.0003271100000000, 0.0003628900000000, -0.0000153200000000 ] - [ 0.0006652100000000, -0.0005877700000000, -0.0001974200000000 ] - [ 0.0006377600000000, -0.0003766400000000, -0.0001102700000000 ] - [ 0.0024895200000000, -0.0032796700000000, 0.0004892100000000 ] - [ 0.0006719800000000, 0.0015656900000000, -0.0005736800000000 ] - [ 0.0010822100000000, -0.0003363500000000, 0.0000506600000000 ] - [ 0.0009163900000000, -0.0002900100000000, 0.0000109200000000 ] - [ 0.0012742100000000, 0.0001040100000000, -0.0002006300000000 ] - [ 0.0012772300000000, 0.0000607100000000, -0.0001809100000000 ] - [ 0.0006722500000000, 0.0006013400000000, -0.0001942500000000 ] - [ 0.0006239700000000, 0.0003834700000000, -0.0001111500000000 ] - [ 0.0011428400000000, 0.0019894300000000, 0.0002209000000000 ] - [ -0.0001297500000000, -0.0011546200000000, -0.0002438200000000 ] - [ 0.0017563800000000, -0.0000076200000000, 0.0004375700000000 ] - [ -0.0004931500000000, 0.0000979800000000, -0.0001611700000000 ] - [ 0.0014896900000000, -0.0006247800000000, 0.0002572500000000 ] - [ 0.0014908000000000, -0.0006107300000000, 0.0002519800000000 ] - [ 0.0005214500000000, -0.0003183900000000, -0.0000344400000000 ] - [ 0.0005200600000000, -0.0003169200000000, -0.0000306400000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019748400000000, 0.0001328700000000, 0.0002099500000000 ] - [ 0.0019393600000000, 0.0002340800000000, 0.0002106700000000 ] - [ -0.0229827500000000, -0.0077572700000000, 0.0087642900000000 ] - [ -0.0065415500000000, -0.0012496400000000, 0.0013303500000000 ] - [ 0.0020051300000000, -0.0001661700000000, 0.0002191400000000 ] - [ 0.0018855900000000, -0.0001975000000000, 0.0002004400000000 ] - [ -0.0207282900000000, -0.0002032900000000, -0.0045453700000000 ] - [ -0.0067279600000000, 0.0059652700000000, 0.0015832200000000 ] - [ 0.0041549700000000, -0.0013947500000000, -0.0006795600000000 ] - [ -0.0000013000000000, 0.0025789900000000, -0.0002926500000000 ] - [ 0.0026977600000000, -0.0000700800000000, -0.0002929100000000 ] - [ 0.0026879900000000, -0.0000714000000000, -0.0002923700000000 ] - [ 0.0042625400000000, 0.0014653700000000, 0.0002419000000000 ] - [ -0.0010187000000000, -0.0027602900000000, 0.0009058400000000 ] - [ 0.0026987800000000, 0.0000671400000000, -0.0002943000000000 ] - [ 0.0026857000000000, 0.0000731500000000, -0.0002935600000000 ] - [ 0.0045847800000000, -0.0048706300000000, -0.0007569000000000 ] - [ 0.0000078700000000, 0.0016089000000000, -0.0001998500000000 ] - [ 0.0049487600000000, 0.0013677900000000, -0.0018013000000000 ] - [ -0.0002705000000000, -0.0008056400000000, 0.0000318000000000 ] - [ 0.0012410900000000, -0.0008305700000000, 0.0000678700000000 ] - [ 0.0006014100000000, 0.0007871900000000, -0.0001986100000000 ] - [ 0.0014974500000000, 0.0007190300000000, -0.0001214900000000 ] - [ 0.0004370500000000, -0.0005619900000000, -0.0002794400000000 ] - [ 0.0019799400000000, -0.0006640000000000, -0.0005359000000000 ] - [ 0.0019055500000000, -0.0005003200000000, -0.0005156500000000 ] - [ 0.0020064000000000, 0.0006450100000000, -0.0005431200000000 ] - [ 0.0019034000000000, 0.0005085800000000, -0.0005159500000000 ] - [ 0.0012287600000000, -0.0002308400000000, -0.0001211600000000 ] - [ 0.0007604100000000, 0.0002194600000000, -0.0002248900000000 ] - [ 0.0011806700000000, 0.0002162600000000, -0.0000698200000000 ] - [ 0.0007006000000000, -0.0001300600000000, -0.0002573200000000 ] - [ -0.0068606000000000, -0.0011470900000000, -0.0020401900000000 ] - [ -0.0035433400000000, 0.0024263200000000, 0.0000677900000000 ] - [ 0.0009759400000000, -0.0001651600000000, -0.0000336600000000 ] - [ 0.0009593600000000, -0.0001669000000000, -0.0000336900000000 ] - [ 0.0009726500000000, 0.0001604500000000, -0.0000346400000000 ] - [ 0.0009628000000000, 0.0001727000000000, -0.0000349000000000 ] - [ -0.0040964500000000, 0.0034134000000000, 0.0007187300000000 ] - [ -0.0040921000000000, -0.0011137800000000, -0.0003912500000000 ] - [ -0.0012477900000000, 0.0002958300000000, -0.0002825100000000 ] - [ -0.0013203100000000, -0.0001237700000000, -0.0001229100000000 ] - [ 0.0565866800000000, 0.0086741200000000, -0.0134767400000000 ] - [ 0.0025914400000000, -0.0002385600000000, 0.0000964400000000 ] - [ 0.0013903400000000, -0.0067508700000000, 0.0091192900000000 ] - [ 0.0014825300000000, 0.0061788600000000, -0.0039309300000000 ] - [ -0.0051865500000000, 0.0070928300000000, -0.0070446400000000 ] - [ 0.0012156600000000, -0.0005372900000000, -0.0003804500000000 ] - [ -0.0008217200000000, 0.0014916200000000, -0.0005677200000000 ] - [ -0.0006099500000000, -0.0008146700000000, 0.0004310300000000 ] - [ -0.0015044800000000, 0.0006149200000000, 0.0002515600000000 ] - [ -0.0014892400000000, 0.0006218600000000, 0.0002579900000000 ] - [ -0.0012783800000000, -0.0002735900000000, -0.0002839500000000 ] - [ -0.0012656000000000, 0.0001226100000000, -0.0000998800000000 ] - [ 0.0032972500000000, 0.0043238600000000, 0.0012008700000000 ] - [ 0.0036763500000000, -0.0082709600000000, -0.0027851700000000 ] - [ -0.0005226000000000, 0.0003379400000000, -0.0000467800000000 ] - [ -0.0005229000000000, 0.0003032100000000, -0.0000249000000000 ] - [ -0.0015325600000000, 0.0001163200000000, -0.0000729500000000 ] - [ -0.0002003500000000, -0.0004799100000000, -0.0000773700000000 ] - [ -0.0004867200000000, -0.0001655600000000, 0.0000381300000000 ] - [ -0.0004744200000000, -0.0001949600000000, 0.0000605500000000 ] - [ -0.0009769400000000, -0.0015613300000000, -0.0003776600000000 ] - [ -0.0003642300000000, 0.0004641400000000, 0.0001639400000000 ] - [ -0.0106835400000000, -0.0037736200000000, 0.0111820400000000 ] - [ 0.0019021400000000, -0.0000724600000000, -0.0005628900000000 ] - [ -0.0021158700000000, 0.0010953800000000, 0.0005472300000000 ] - [ -0.0002094100000000, 0.0001945500000000, -0.0001482600000000 ] - [ -0.0004960700000000, 0.0001925000000000, 0.0000492000000000 ] - [ -0.0004655200000000, 0.0001660200000000, 0.0000494700000000 ] - [ -0.0005312900000000, -0.0003379700000000, -0.0000478200000000 ] - [ -0.0005173800000000, -0.0003017000000000, -0.0000232500000000 ] - [ 0.0005540500000000, 0.0063461500000000, -0.0016117500000000 ] - [ 0.0039215900000000, -0.0053368800000000, 0.0003713400000000 ] - [ 0.0064181800000000, 0.0014121900000000, 0.0009769200000000 ] - [ 0.0026226000000000, -0.0016935300000000, -0.0012528200000000 ] - [ -0.0014487600000000, 0.0001377600000000, -0.0000407800000000 ] - [ -0.0007620100000000, 0.0000296200000000, -0.0000224400000000 ] - [ -0.0006484500000000, 0.0000620100000000, 0.0002733600000000 ] - [ -0.0006478500000000, 0.0000640400000000, 0.0002702900000000 ] - [ -0.0006014700000000, -0.0003421800000000, 0.0000947600000000 ] - [ -0.0005988200000000, -0.0003448900000000, 0.0000954100000000 ] - [ -0.0018007900000000, -0.0009162900000000, 0.0004572700000000 ] - [ -0.0018052000000000, -0.0009603500000000, 0.0004375600000000 ] - [ -0.0007292900000000, 0.0004819400000000, -0.0001747300000000 ] - [ -0.0005539600000000, 0.0004761500000000, -0.0001249300000000 ] - [ -0.0027813900000000, -0.0091399200000000, 0.0056543100000000 ] - [ 0.0043088200000000, 0.0032962400000000, -0.0004709100000000 ] - [ -0.0017502900000000, -0.0002445200000000, -0.0001515800000000 ] - [ -0.0006967500000000, -0.0000711900000000, -0.0001065400000000 ] - [ -0.0006021800000000, 0.0003416400000000, 0.0000934000000000 ] - [ -0.0005992300000000, 0.0003379900000000, 0.0000917200000000 ] - [ -0.0005637500000000, 0.0003697300000000, -0.0001975000000000 ] - [ 0.0004611000000000, 0.0000124300000000, 0.0002620600000000 ] - [ -0.0010423100000000, -0.0002106100000000, 0.0001047800000000 ] - [ -0.0010172000000000, -0.0004218300000000, 0.0000159600000000 ] - [ -0.0023943700000000, 0.0027828000000000, -0.0003513100000000 ] - [ -0.0005599700000000, -0.0021014100000000, 0.0007176900000000 ] - [ -0.0007102200000000, -0.0004597000000000, -0.0001437100000000 ] - [ -0.0005441400000000, -0.0005065700000000, -0.0001039700000000 ] - [ -0.0018063300000000, 0.0009188300000000, 0.0004565800000000 ] - [ -0.0018044300000000, 0.0009616200000000, 0.0004359700000000 ] - [ -0.0010526800000000, 0.0001938900000000, 0.0001000500000000 ] - [ -0.0010014300000000, 0.0004151900000000, 0.0000160300000000 ] - [ -0.0010298100000000, -0.0014713700000000, -0.0000695800000000 ] - [ 0.0002521300000000, 0.0016894700000000, 0.0003905900000000 ] - [ -0.0016261300000000, -0.0003687400000000, -0.0001974700000000 ] - [ 0.0006255600000000, -0.0004775200000000, 0.0004034000000000 ] - [ -0.0014935500000000, -0.0006119700000000, 0.0002517000000000 ] - [ -0.0014969600000000, -0.0006244100000000, 0.0002570800000000 ] - [ -0.0006482800000000, -0.0000600200000000, 0.0002752300000000 ] - [ -0.0006486700000000, -0.0000597700000000, 0.0002741400000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007955700000000, 0.0001261000000000, -0.0000862300000000 ] - [ -0.0009866700000000, -0.0000683700000000, -0.0001321800000000 ] - [ 0.0173974500000000, 0.0700521800000000, -0.0415368800000000 ] - [ 0.0003936400000000, -0.0244497700000000, 0.0005689100000000 ] - [ -0.0009797400000000, 0.0000382600000000, -0.0001243400000000 ] - [ -0.0007524000000000, -0.0001076100000000, -0.0000747300000000 ] - [ -0.0041610900000000, 0.0014383300000000, 0.0067880800000000 ] - [ 0.0037732500000000, -0.0250996400000000, -0.0050663600000000 ] - [ 0.0082571000000000, 0.0065022300000000, -0.0005584500000000 ] - [ -0.0039459000000000, -0.0056448400000000, -0.0001243900000000 ] - [ -0.0001571800000000, 0.0001036000000000, 0.0000096800000000 ] - [ -0.0001653900000000, 0.0000788700000000, 0.0000069700000000 ] - [ -0.0098288100000000, 0.0057412900000000, -0.0001992300000000 ] - [ 0.0023795200000000, -0.0053209500000000, 0.0005558300000000 ] - [ -0.0001624600000000, -0.0000806000000000, 0.0000072900000000 ] - [ -0.0001557700000000, -0.0001024700000000, 0.0000114400000000 ] - [ 0.0043066000000000, 0.0058478900000000, -0.0050286200000000 ] - [ -0.0017658500000000, -0.0043742200000000, 0.0010575100000000 ] - [ -0.0031164700000000, 0.0061439900000000, 0.0044900100000000 ] - [ 0.0030467200000000, -0.0031838900000000, -0.0017907700000000 ] - [ 0.0001475200000000, 0.0010275100000000, -0.0004490200000000 ] - [ -0.0012285800000000, -0.0003970500000000, -0.0006784500000000 ] - [ -0.0018174500000000, 0.0000569500000000, -0.0003867300000000 ] - [ -0.0002540700000000, -0.0006650700000000, -0.0000213100000000 ] - [ 0.0003104500000000, -0.0001130400000000, -0.0003174300000000 ] - [ 0.0000966800000000, -0.0002615400000000, -0.0002550100000000 ] - [ 0.0000696100000000, 0.0002682400000000, -0.0002680000000000 ] - [ 0.0002906800000000, 0.0001173700000000, -0.0003345600000000 ] - [ -0.0004259700000000, 0.0012231900000000, 0.0002474500000000 ] - [ -0.0012749000000000, -0.0004489300000000, -0.0008375000000000 ] - [ -0.0012793400000000, 0.0005269900000000, -0.0010538600000000 ] - [ -0.0004370700000000, -0.0010633400000000, 0.0000826900000000 ] - [ -0.0011432600000000, 0.0102941500000000, 0.0021293200000000 ] - [ -0.0018369800000000, -0.0064551800000000, -0.0004340400000000 ] - [ -0.0002252400000000, -0.0001509500000000, -0.0000285600000000 ] - [ -0.0002066800000000, -0.0001774600000000, -0.0000339400000000 ] - [ -0.0002105700000000, 0.0001789500000000, -0.0000332200000000 ] - [ -0.0002223700000000, 0.0001487600000000, -0.0000305300000000 ] - [ -0.0068198800000000, 0.0013581600000000, -0.0027638600000000 ] - [ 0.0039657800000000, -0.0067559200000000, 0.0000476100000000 ] - [ 0.0004795600000000, 0.0004644100000000, 0.0001872600000000 ] - [ 0.0007305800000000, 0.0006654400000000, 0.0002641100000000 ] - [ -0.0089991200000000, -0.1411386500000000, 0.0995010700000000 ] - [ 0.0003402400000000, 0.0120156800000000, -0.0059757600000000 ] - [ -0.0024864800000000, 0.0187527700000000, -0.0234306800000000 ] - [ 0.0016222300000000, 0.0230953400000000, -0.0123686400000000 ] - [ -0.0169519700000000, -0.0016898200000000, -0.0038971200000000 ] - [ 0.0028994500000000, 0.0025114900000000, 0.0001813000000000 ] - [ 0.0000360200000000, 0.0000537900000000, 0.0008291900000000 ] - [ 0.0011209000000000, 0.0011792400000000, -0.0004523000000000 ] - [ 0.0003572400000000, 0.0006063700000000, 0.0002539700000000 ] - [ 0.0003046700000000, 0.0006211200000000, 0.0002488600000000 ] - [ 0.0007057800000000, -0.0006389500000000, 0.0002416500000000 ] - [ 0.0004918800000000, -0.0006686400000000, 0.0000676800000000 ] - [ -0.0024107800000000, 0.0282727000000000, 0.0072794700000000 ] - [ 0.0009127400000000, 0.0271460300000000, 0.0060373800000000 ] - [ 0.0001825800000000, 0.0001533600000000, 0.0001560600000000 ] - [ 0.0002179500000000, 0.0001548600000000, 0.0001617400000000 ] - [ 0.0000739700000000, -0.0028638300000000, 0.0003334700000000 ] - [ -0.0003756800000000, 0.0010689100000000, -0.0007386400000000 ] - [ 0.0001632500000000, -0.0003496600000000, 0.0000987800000000 ] - [ 0.0002051400000000, -0.0002122700000000, 0.0000635000000000 ] - [ 0.0008167700000000, -0.0002573300000000, -0.0005277100000000 ] - [ -0.0004653700000000, -0.0001702200000000, -0.0000641100000000 ] - [ 0.0192477700000000, -0.0082352200000000, -0.0064223200000000 ] - [ -0.0045802400000000, 0.0036542300000000, 0.0006938200000000 ] - [ 0.0001999300000000, -0.0024307700000000, -0.0008467000000000 ] - [ -0.0000429600000000, 0.0019287200000000, 0.0006995600000000 ] - [ 0.0002071900000000, 0.0002205700000000, 0.0000587100000000 ] - [ 0.0001482000000000, 0.0003626400000000, 0.0000899000000000 ] - [ 0.0002173900000000, -0.0001527700000000, 0.0001640600000000 ] - [ 0.0001779300000000, -0.0001759400000000, 0.0001453500000000 ] - [ -0.0162637200000000, 0.0032360500000000, -0.0054919800000000 ] - [ 0.0016747800000000, 0.0046931900000000, 0.0000421800000000 ] - [ 0.0014890600000000, -0.0195540400000000, -0.0152708500000000 ] - [ -0.0015787700000000, 0.0108977100000000, 0.0064454600000000 ] - [ -0.0016105200000000, -0.0006353300000000, -0.0004501000000000 ] - [ 0.0020005900000000, 0.0015492000000000, 0.0005143400000000 ] - [ 0.0000620700000000, 0.0002165100000000, 0.0000870600000000 ] - [ 0.0000631700000000, 0.0002180600000000, 0.0000873100000000 ] - [ 0.0000608000000000, -0.0002615600000000, 0.0000718600000000 ] - [ 0.0000573900000000, -0.0002356700000000, 0.0000645200000000 ] - [ 0.0000856100000000, -0.0004172700000000, 0.0000602800000000 ] - [ 0.0000972700000000, -0.0004159200000000, 0.0000424900000000 ] - [ 0.0004189500000000, 0.0000073400000000, -0.0001023000000000 ] - [ 0.0003371100000000, 0.0006810100000000, 0.0000810800000000 ] - [ 0.0156274800000000, 0.0095722000000000, -0.0056069900000000 ] - [ -0.0036016900000000, 0.0029866400000000, 0.0001726200000000 ] - [ 0.0030077900000000, -0.0016129700000000, 0.0008723700000000 ] - [ -0.0009085500000000, 0.0003311300000000, -0.0002179400000000 ] - [ 0.0000583500000000, 0.0002325600000000, 0.0000615300000000 ] - [ 0.0000611000000000, 0.0002566700000000, 0.0000678300000000 ] - [ 0.0002546000000000, -0.0054281200000000, 0.0016689300000000 ] - [ -0.0001072300000000, 0.0035027500000000, -0.0008083000000000 ] - [ -0.0000712200000000, -0.0004686400000000, -0.0001604900000000 ] - [ 0.0000869300000000, -0.0003603100000000, -0.0000080000000000 ] - [ -0.0027307500000000, 0.0016441900000000, -0.0001664700000000 ] - [ 0.0020164100000000, 0.0004059900000000, -0.0004526100000000 ] - [ 0.0003267200000000, -0.0007450000000000, 0.0000525000000000 ] - [ 0.0004078100000000, -0.0000758700000000, -0.0001290800000000 ] - [ 0.0000980400000000, 0.0004065100000000, 0.0000475000000000 ] - [ 0.0000884500000000, 0.0004095100000000, 0.0000627700000000 ] - [ 0.0000637700000000, 0.0003611200000000, 0.0000479500000000 ] - [ -0.0000912800000000, 0.0004745000000000, -0.0001458100000000 ] - [ 0.0026616300000000, 0.0022287100000000, -0.0001382300000000 ] - [ -0.0011667300000000, 0.0003422300000000, 0.0003736900000000 ] - [ 0.0002550400000000, -0.0061484200000000, 0.0001376800000000 ] - [ 0.0003518900000000, 0.0030766500000000, 0.0010108800000000 ] - [ 0.0003091700000000, -0.0006291100000000, 0.0002541000000000 ] - [ 0.0003576100000000, -0.0006072700000000, 0.0002554700000000 ] - [ 0.0000631200000000, -0.0002147200000000, 0.0000894300000000 ] - [ 0.0000616800000000, -0.0002159600000000, 0.0000897800000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000567900000000, -0.0000104500000000, -0.0000050800000000 ] - [ 0.0002475000000000, 0.0001848500000000, 0.0000412800000000 ] - [ -0.0156740300000000, -0.0676679700000000, 0.0378683700000000 ] - [ 0.0003912100000000, 0.0247047100000000, -0.0006162500000000 ] - [ 0.0002430400000000, -0.0001586300000000, 0.0000340200000000 ] - [ 0.0000164000000000, -0.0000094300000000, -0.0000147100000000 ] - [ 0.0052363200000000, -0.0024954600000000, -0.0058638400000000 ] - [ -0.0029927700000000, 0.0250188800000000, 0.0048887400000000 ] - [ -0.0090466500000000, -0.0063840100000000, 0.0004609100000000 ] - [ 0.0032335800000000, 0.0057771800000000, 0.0000253200000000 ] - [ 0.0008725700000000, 0.0000164600000000, -0.0000970200000000 ] - [ 0.0008787700000000, 0.0000398700000000, -0.0000934900000000 ] - [ 0.0091363100000000, -0.0059181600000000, 0.0001150000000000 ] - [ -0.0031103400000000, 0.0052483500000000, -0.0006554500000000 ] - [ 0.0008783400000000, -0.0000394200000000, -0.0000938300000000 ] - [ 0.0008698400000000, -0.0000194700000000, -0.0000987800000000 ] - [ -0.0032768900000000, -0.0064010200000000, 0.0043618600000000 ] - [ 0.0027620200000000, 0.0038681000000000, -0.0017325900000000 ] - [ 0.0041664700000000, -0.0056416700000000, -0.0051612800000000 ] - [ -0.0020521700000000, 0.0037079400000000, 0.0011253600000000 ] - [ -0.0011766700000000, -0.0005111600000000, -0.0002217700000000 ] - [ 0.0002036900000000, 0.0009235400000000, 0.0000065800000000 ] - [ 0.0007974200000000, -0.0005769300000000, -0.0002878900000000 ] - [ -0.0007743700000000, 0.0001420900000000, -0.0006573000000000 ] - [ 0.0007002100000000, -0.0004146600000000, -0.0003515700000000 ] - [ 0.0009153700000000, -0.0002610200000000, -0.0004166900000000 ] - [ 0.0009433500000000, 0.0002540900000000, -0.0004038100000000 ] - [ 0.0007186800000000, 0.0004064300000000, -0.0003392600000000 ] - [ -0.0006037300000000, -0.0007134900000000, -0.0009278200000000 ] - [ 0.0002554400000000, 0.0009699900000000, 0.0001661500000000 ] - [ 0.0002544100000000, -0.0010503800000000, 0.0003840200000000 ] - [ -0.0005863200000000, 0.0005503200000000, -0.0007573900000000 ] - [ 0.0009631100000000, -0.0098543300000000, -0.0019844700000000 ] - [ 0.0018747900000000, 0.0068032400000000, 0.0003677700000000 ] - [ 0.0002205300000000, -0.0001805400000000, -0.0000354800000000 ] - [ 0.0002005100000000, -0.0001547900000000, -0.0000323400000000 ] - [ 0.0002053600000000, 0.0001517800000000, -0.0000330100000000 ] - [ 0.0002177600000000, 0.0001831200000000, -0.0000367800000000 ] - [ 0.0066665800000000, -0.0019269100000000, 0.0026015700000000 ] - [ -0.0039253700000000, 0.0064584500000000, -0.0001083200000000 ] - [ 0.0000394100000000, 0.0005525200000000, 0.0000639400000000 ] - [ -0.0002105300000000, 0.0003513900000000, -0.0000119300000000 ] - [ 0.0077854900000000, 0.1405230800000000, -0.0971200800000000 ] - [ -0.0005057500000000, -0.0116690300000000, 0.0062347200000000 ] - [ 0.0023255500000000, -0.0191941100000000, 0.0234883900000000 ] - [ -0.0017760700000000, -0.0238119400000000, 0.0125527300000000 ] - [ 0.0166168700000000, 0.0007662700000000, 0.0041652900000000 ] - [ -0.0033990600000000, -0.0035267800000000, 0.0000726000000000 ] - [ 0.0003456600000000, 0.0007446700000000, -0.0009269000000000 ] - [ -0.0007402800000000, -0.0003912200000000, 0.0003618700000000 ] - [ -0.0003533600000000, 0.0006263000000000, 0.0002532200000000 ] - [ -0.0003021300000000, 0.0006119100000000, 0.0002593000000000 ] - [ -0.0001874500000000, -0.0003790800000000, 0.0000084400000000 ] - [ 0.0000276800000000, -0.0003494500000000, 0.0001847300000000 ] - [ 0.0023712700000000, -0.0282690100000000, -0.0072469700000000 ] - [ -0.0009854200000000, -0.0262751500000000, -0.0058717000000000 ] - [ -0.0000480100000000, 0.0002203900000000, 0.0000885200000000 ] - [ -0.0000845800000000, 0.0002214200000000, 0.0000822900000000 ] - [ -0.0004516300000000, 0.0020784200000000, -0.0004302100000000 ] - [ 0.0000056300000000, -0.0018675900000000, 0.0006423400000000 ] - [ -0.0000397500000000, -0.0001785100000000, 0.0000424300000000 ] - [ -0.0000817400000000, -0.0003180200000000, 0.0000809700000000 ] - [ -0.0004423000000000, -0.0005458300000000, 0.0004327900000000 ] - [ 0.0008513500000000, -0.0006216000000000, -0.0000278900000000 ] - [ -0.0197022300000000, 0.0091160600000000, 0.0067616300000000 ] - [ 0.0040951300000000, -0.0026526000000000, -0.0004479500000000 ] - [ -0.0005761900000000, 0.0032335700000000, 0.0007565700000000 ] - [ -0.0003266200000000, -0.0011311000000000, -0.0007951600000000 ] - [ -0.0000840100000000, 0.0003120100000000, 0.0000874200000000 ] - [ -0.0000245700000000, 0.0001681800000000, 0.0000549600000000 ] - [ -0.0000832500000000, -0.0002242500000000, 0.0000788600000000 ] - [ -0.0000443500000000, -0.0002049800000000, 0.0000956700000000 ] - [ 0.0162104200000000, -0.0045473500000000, 0.0059610100000000 ] - [ -0.0017240600000000, -0.0058980300000000, 0.0004699300000000 ] - [ -0.0016708200000000, 0.0194005000000000, 0.0158312700000000 ] - [ 0.0014172100000000, -0.0113136000000000, -0.0062157700000000 ] - [ 0.0021330300000000, 0.0016552900000000, 0.0007040200000000 ] - [ -0.0014963800000000, -0.0005388600000000, -0.0002647500000000 ] - [ -0.0001899800000000, 0.0001628500000000, 0.0001526400000000 ] - [ -0.0001904700000000, 0.0001638300000000, 0.0001509300000000 ] - [ -0.0001782600000000, -0.0002693300000000, 0.0000733400000000 ] - [ -0.0001753700000000, -0.0002928200000000, 0.0000804200000000 ] - [ -0.0005862900000000, -0.0005947400000000, 0.0001883400000000 ] - [ -0.0005935900000000, -0.0005962000000000, 0.0002048300000000 ] - [ -0.0000373800000000, 0.0007882400000000, 0.0000085500000000 ] - [ 0.0000437800000000, 0.0001114400000000, -0.0001766200000000 ] - [ -0.0158433300000000, -0.0083994200000000, 0.0061921500000000 ] - [ 0.0035660500000000, -0.0018047700000000, 0.0003456400000000 ] - [ -0.0025026300000000, 0.0006003300000000, -0.0006253800000000 ] - [ 0.0014270300000000, -0.0013536400000000, 0.0004703500000000 ] - [ -0.0001760600000000, 0.0002907500000000, 0.0000790500000000 ] - [ -0.0001794500000000, 0.0002659300000000, 0.0000726600000000 ] - [ -0.0001069900000000, 0.0058212500000000, -0.0014219600000000 ] - [ 0.0002389400000000, -0.0031452900000000, 0.0010594800000000 ] - [ -0.0003010600000000, -0.0003320000000000, 0.0000651800000000 ] - [ -0.0004634600000000, -0.0004369600000000, -0.0000888200000000 ] - [ 0.0028807500000000, -0.0022059700000000, 0.0003118800000000 ] - [ -0.0019125600000000, -0.0009320100000000, 0.0005990500000000 ] - [ 0.0000558900000000, -0.0000480000000000, -0.0001463000000000 ] - [ -0.0000268400000000, -0.0007195400000000, 0.0000359100000000 ] - [ -0.0006015700000000, 0.0006049200000000, 0.0001996000000000 ] - [ -0.0005894500000000, 0.0006019800000000, 0.0001840000000000 ] - [ -0.0004410600000000, 0.0004349600000000, -0.0001459600000000 ] - [ -0.0002818700000000, 0.0003209500000000, 0.0000494600000000 ] - [ -0.0025429400000000, -0.0016904600000000, 0.0002857000000000 ] - [ 0.0012876200000000, 0.0001744800000000, -0.0002317000000000 ] - [ -0.0001100400000000, 0.0058079000000000, 0.0001130700000000 ] - [ -0.0002277300000000, -0.0034666700000000, -0.0007754000000000 ] - [ -0.0003008500000000, -0.0006063200000000, 0.0002529800000000 ] - [ -0.0003512300000000, -0.0006264900000000, 0.0002520900000000 ] - [ -0.0001902600000000, -0.0001625500000000, 0.0001527300000000 ] - [ -0.0001905700000000, -0.0001600500000000, 0.0001547800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001837700000000, 0.0000247500000000, 0.0000130900000000 ] - [ 0.0002937500000000, 0.0001551300000000, 0.0000471100000000 ] - [ -0.0219557100000000, -0.0596541800000000, 0.0548468400000000 ] - [ 0.0014227100000000, 0.0122203100000000, -0.0044242200000000 ] - [ 0.0003190200000000, -0.0001346200000000, 0.0000363700000000 ] - [ 0.0001650400000000, -0.0000462400000000, 0.0000016200000000 ] - [ 0.0079801600000000, 0.0061521100000000, -0.0046549500000000 ] - [ -0.0038389600000000, 0.0154732300000000, 0.0013140900000000 ] - [ -0.0060597700000000, -0.0020285100000000, -0.0005140600000000 ] - [ -0.0002400000000000, 0.0014025900000000, -0.0006741700000000 ] - [ 0.0009663500000000, 0.0000205300000000, -0.0001057000000000 ] - [ 0.0009794800000000, 0.0000255800000000, -0.0001061000000000 ] - [ 0.0060878600000000, -0.0009442000000000, 0.0002640900000000 ] - [ -0.0012951400000000, -0.0003363500000000, 0.0008620900000000 ] - [ 0.0009832800000000, -0.0000236000000000, -0.0001067000000000 ] - [ 0.0009649500000000, -0.0000219500000000, -0.0001069400000000 ] - [ 0.0003272100000000, -0.0059486500000000, 0.0041435300000000 ] - [ 0.0020383500000000, 0.0025086800000000, -0.0010403700000000 ] - [ 0.0014901000000000, -0.0048552000000000, -0.0063259300000000 ] - [ -0.0011549300000000, 0.0027225300000000, 0.0005319900000000 ] - [ -0.0009750500000000, -0.0003214600000000, -0.0001706500000000 ] - [ 0.0000803300000000, 0.0007205500000000, -0.0000267600000000 ] - [ 0.0007205400000000, -0.0003646700000000, -0.0003254900000000 ] - [ -0.0004845400000000, -0.0000003700000000, -0.0005852400000000 ] - [ 0.0008446900000000, -0.0003788800000000, -0.0003888900000000 ] - [ 0.0008852800000000, -0.0003218600000000, -0.0003997400000000 ] - [ 0.0009350900000000, 0.0003319600000000, -0.0003899500000000 ] - [ 0.0008609900000000, 0.0003500000000000, -0.0003681700000000 ] - [ -0.0001195300000000, -0.0000717400000000, -0.0005522900000000 ] - [ -0.0000891000000000, 0.0003790700000000, -0.0002244300000000 ] - [ -0.0000029200000000, -0.0003862300000000, -0.0000006900000000 ] - [ -0.0002108600000000, -0.0000845700000000, -0.0004174900000000 ] - [ 0.0012321600000000, -0.0068569900000000, -0.0047112600000000 ] - [ 0.0008344200000000, 0.0039990900000000, 0.0000405700000000 ] - [ 0.0002594300000000, -0.0001746000000000, -0.0000339900000000 ] - [ 0.0002439200000000, -0.0001619700000000, -0.0000326200000000 ] - [ 0.0002492600000000, 0.0001583500000000, -0.0000339000000000 ] - [ 0.0002571600000000, 0.0001773400000000, -0.0000363100000000 ] - [ 0.0036301700000000, 0.0000574700000000, 0.0049969600000000 ] - [ -0.0031141800000000, 0.0029760300000000, 0.0004285800000000 ] - [ -0.0000555300000000, 0.0005027700000000, 0.0000280300000000 ] - [ -0.0001935400000000, 0.0003669800000000, -0.0000144100000000 ] - [ 0.0128225200000000, 0.0973125700000000, -0.1464222800000000 ] - [ -0.0000446600000000, -0.0059271200000000, 0.0032956500000000 ] - [ 0.0029924100000000, -0.0135971700000000, 0.0224280800000000 ] - [ -0.0022547600000000, -0.0223023900000000, 0.0162341100000000 ] - [ 0.0155202600000000, -0.0035555700000000, 0.0025839600000000 ] - [ -0.0019761700000000, -0.0022647100000000, 0.0000145300000000 ] - [ 0.0001272800000000, 0.0007489100000000, -0.0010592100000000 ] - [ -0.0005890600000000, -0.0002276400000000, 0.0001677100000000 ] - [ -0.0004108500000000, 0.0006236100000000, 0.0002545900000000 ] - [ -0.0003756200000000, 0.0006167800000000, 0.0002596500000000 ] - [ -0.0002257000000000, -0.0003785800000000, 0.0000212000000000 ] - [ -0.0000929600000000, -0.0003169100000000, 0.0001544100000000 ] - [ 0.0003250900000000, -0.0038418300000000, -0.0043932400000000 ] - [ 0.0008738200000000, -0.0131785700000000, -0.0111352300000000 ] - [ -0.0000795700000000, 0.0002272500000000, 0.0000812300000000 ] - [ -0.0001021900000000, 0.0002220300000000, 0.0000811100000000 ] - [ -0.0004674700000000, 0.0012372700000000, 0.0001070500000000 ] - [ -0.0001273700000000, -0.0013174600000000, 0.0004272500000000 ] - [ -0.0000704800000000, -0.0001984000000000, 0.0000460900000000 ] - [ -0.0000982700000000, -0.0002873700000000, 0.0000683700000000 ] - [ -0.0003038200000000, -0.0004682200000000, 0.0007168300000000 ] - [ 0.0005664400000000, -0.0005685400000000, 0.0001137800000000 ] - [ -0.0209919700000000, 0.0034095800000000, 0.0071137700000000 ] - [ 0.0019691800000000, -0.0012611900000000, 0.0001805900000000 ] - [ -0.0006285700000000, 0.0024277000000000, 0.0002816100000000 ] - [ -0.0003210800000000, -0.0005716800000000, -0.0005557200000000 ] - [ -0.0000963900000000, 0.0002847800000000, 0.0000828900000000 ] - [ -0.0000536900000000, 0.0001938100000000, 0.0000659500000000 ] - [ -0.0001021600000000, -0.0002310000000000, 0.0000696500000000 ] - [ -0.0000760500000000, -0.0002154400000000, 0.0000827400000000 ] - [ 0.0164077100000000, -0.0063078600000000, 0.0107934100000000 ] - [ -0.0009255100000000, -0.0001278400000000, 0.0008524700000000 ] - [ -0.0009121700000000, 0.0153903100000000, 0.0510813700000000 ] - [ 0.0012944700000000, -0.0065105300000000, -0.0030366700000000 ] - [ 0.0009946300000000, 0.0009354000000000, 0.0005706600000000 ] - [ -0.0001863100000000, 0.0002226600000000, 0.0001292000000000 ] - [ -0.0002143500000000, 0.0001586300000000, 0.0001578800000000 ] - [ -0.0002164100000000, 0.0001583800000000, 0.0001573600000000 ] - [ -0.0002007000000000, -0.0002812700000000, 0.0000766500000000 ] - [ -0.0002010900000000, -0.0002871400000000, 0.0000786000000000 ] - [ -0.0006647600000000, -0.0006136800000000, 0.0002106100000000 ] - [ -0.0006572900000000, -0.0006133300000000, 0.0002104400000000 ] - [ -0.0000584900000000, 0.0005514800000000, -0.0000785500000000 ] - [ -0.0000083200000000, 0.0003817600000000, -0.0000723200000000 ] - [ -0.0121893500000000, -0.0083450200000000, 0.0039573000000000 ] - [ 0.0036763400000000, 0.0022051700000000, -0.0005610200000000 ] - [ -0.0013557800000000, -0.0000313300000000, -0.0003332700000000 ] - [ 0.0002022700000000, -0.0005261300000000, 0.0000166900000000 ] - [ -0.0002026600000000, 0.0002851600000000, 0.0000777100000000 ] - [ -0.0002015700000000, 0.0002778500000000, 0.0000758400000000 ] - [ -0.0002472300000000, 0.0017339000000000, -0.0014983900000000 ] - [ 0.0002011700000000, -0.0007467700000000, -0.0001985800000000 ] - [ -0.0004112100000000, -0.0003530500000000, 0.0000291000000000 ] - [ -0.0004348700000000, -0.0004162300000000, -0.0000315000000000 ] - [ -0.0012057400000000, 0.0012463000000000, 0.0017635600000000 ] - [ -0.0008051600000000, -0.0013546100000000, 0.0010604600000000 ] - [ -0.0000080800000000, -0.0002922700000000, -0.0000583100000000 ] - [ -0.0000167300000000, -0.0004704500000000, -0.0000529900000000 ] - [ -0.0006616500000000, 0.0006177600000000, 0.0002073400000000 ] - [ -0.0006672900000000, 0.0006279700000000, 0.0002032400000000 ] - [ -0.0004189300000000, 0.0003633700000000, -0.0000656000000000 ] - [ -0.0003741600000000, 0.0003559300000000, -0.0000064500000000 ] - [ 0.0000168900000000, -0.0000187100000000, -0.0008929500000000 ] - [ 0.0006033800000000, 0.0004060300000000, -0.0003972500000000 ] - [ -0.0002433000000000, -0.0001962500000000, 0.0020689700000000 ] - [ 0.0003448900000000, -0.0010818000000000, 0.0005316800000000 ] - [ -0.0003722600000000, -0.0006114400000000, 0.0002527900000000 ] - [ -0.0004031900000000, -0.0006228800000000, 0.0002510700000000 ] - [ -0.0002164500000000, -0.0001567600000000, 0.0001590500000000 ] - [ -0.0002146200000000, -0.0001554200000000, 0.0001597800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009323700000000, 0.0000836100000000, -0.0000985000000000 ] - [ -0.0010425100000000, -0.0000439200000000, -0.0001323200000000 ] - [ 0.0238486500000000, 0.0634042700000000, -0.0582654200000000 ] - [ -0.0006371800000000, -0.0120865600000000, 0.0042910000000000 ] - [ -0.0010661700000000, 0.0000219200000000, -0.0001197100000000 ] - [ -0.0009119600000000, -0.0000631900000000, -0.0000827000000000 ] - [ -0.0069465100000000, -0.0072477300000000, 0.0051768000000000 ] - [ 0.0046040100000000, -0.0156069100000000, -0.0013769000000000 ] - [ 0.0052682800000000, 0.0021633200000000, 0.0004205700000000 ] - [ -0.0005017200000000, -0.0012992800000000, 0.0005928800000000 ] - [ -0.0002408600000000, 0.0000930900000000, 0.0000269900000000 ] - [ -0.0002550600000000, 0.0000878200000000, 0.0000268000000000 ] - [ -0.0068243200000000, 0.0007988200000000, -0.0003523900000000 ] - [ 0.0005623200000000, 0.0002387100000000, -0.0009432200000000 ] - [ -0.0002576600000000, -0.0000886100000000, 0.0000265100000000 ] - [ -0.0002417400000000, -0.0000943800000000, 0.0000265500000000 ] - [ 0.0006941800000000, 0.0054285900000000, -0.0048195600000000 ] - [ -0.0010302700000000, -0.0030321300000000, 0.0003612600000000 ] - [ -0.0004941900000000, 0.0053512700000000, 0.0056698600000000 ] - [ 0.0021574500000000, -0.0021879500000000, -0.0012059500000000 ] - [ -0.0000444700000000, 0.0008412600000000, -0.0005038700000000 ] - [ -0.0010904600000000, -0.0002024300000000, -0.0006456700000000 ] - [ -0.0017338500000000, -0.0001565600000000, -0.0003534400000000 ] - [ -0.0005270700000000, -0.0005151900000000, -0.0000917700000000 ] - [ 0.0001539300000000, -0.0001423800000000, -0.0002828200000000 ] - [ 0.0001138600000000, -0.0001979000000000, -0.0002735600000000 ] - [ 0.0000640200000000, 0.0001868900000000, -0.0002832300000000 ] - [ 0.0001374600000000, 0.0001702500000000, -0.0003063500000000 ] - [ -0.0008957900000000, 0.0005887900000000, -0.0001260000000000 ] - [ -0.0009197700000000, 0.0001373300000000, -0.0004506900000000 ] - [ -0.0010113500000000, -0.0001345100000000, -0.0006735800000000 ] - [ -0.0007980200000000, -0.0004303900000000, -0.0002576500000000 ] - [ -0.0013277300000000, 0.0072802900000000, 0.0048241700000000 ] - [ -0.0008167100000000, -0.0036603900000000, -0.0001095000000000 ] - [ -0.0002642400000000, -0.0001605500000000, -0.0000334100000000 ] - [ -0.0002494900000000, -0.0001738000000000, -0.0000361900000000 ] - [ -0.0002541900000000, 0.0001771200000000, -0.0000360600000000 ] - [ -0.0002620700000000, 0.0001585300000000, -0.0000337400000000 ] - [ -0.0038186300000000, -0.0006159300000000, -0.0051942400000000 ] - [ 0.0031271700000000, -0.0032959900000000, -0.0004962700000000 ] - [ 0.0005840500000000, 0.0005123000000000, 0.0002231200000000 ] - [ 0.0007242800000000, 0.0006510900000000, 0.0002659000000000 ] - [ -0.0141982300000000, -0.0993145300000000, 0.1487250700000000 ] - [ -0.0000936400000000, 0.0062834700000000, -0.0030430700000000 ] - [ -0.0031527500000000, 0.0131022800000000, -0.0224024100000000 ] - [ 0.0021033300000000, 0.0215763600000000, -0.0158653200000000 ] - [ -0.0158282500000000, 0.0025168600000000, -0.0023921000000000 ] - [ 0.0014522700000000, 0.0012502700000000, 0.0002327800000000 ] - [ 0.0002638500000000, 0.0000400000000000, 0.0009618100000000 ] - [ 0.0009720300000000, 0.0010268200000000, -0.0002631400000000 ] - [ 0.0004154800000000, 0.0006123200000000, 0.0002534200000000 ] - [ 0.0003795800000000, 0.0006192300000000, 0.0002492500000000 ] - [ 0.0007546600000000, -0.0006369200000000, 0.0002287400000000 ] - [ 0.0006222300000000, -0.0007014000000000, 0.0000966100000000 ] - [ -0.0004666300000000, 0.0044511000000000, 0.0045086300000000 ] - [ -0.0010395500000000, 0.0137040900000000, 0.0114785100000000 ] - [ 0.0002079700000000, 0.0001509800000000, 0.0001583300000000 ] - [ 0.0002295300000000, 0.0001584200000000, 0.0001583100000000 ] - [ 0.0000911000000000, -0.0020308000000000, -0.0002059200000000 ] - [ -0.0002527700000000, 0.0005207600000000, -0.0005233800000000 ] - [ 0.0001928500000000, -0.0003246400000000, 0.0000944400000000 ] - [ 0.0002205300000000, -0.0002370100000000, 0.0000750200000000 ] - [ 0.0006908300000000, -0.0003226300000000, -0.0008137000000000 ] - [ -0.0001801600000000, -0.0002312300000000, -0.0002097200000000 ] - [ 0.0206490000000000, -0.0024433400000000, -0.0068151000000000 ] - [ -0.0024970900000000, 0.0022739100000000, 0.0000766200000000 ] - [ 0.0002520300000000, -0.0016285800000000, -0.0003789800000000 ] - [ -0.0000583500000000, 0.0013702400000000, 0.0004588400000000 ] - [ 0.0002186600000000, 0.0002435500000000, 0.0000629400000000 ] - [ 0.0001758400000000, 0.0003325200000000, 0.0000781100000000 ] - [ 0.0002301600000000, -0.0001496600000000, 0.0001679600000000 ] - [ 0.0002032600000000, -0.0001693100000000, 0.0001529600000000 ] - [ -0.0164710900000000, 0.0050757600000000, -0.0102703300000000 ] - [ 0.0009033700000000, -0.0010775700000000, -0.0003390000000000 ] - [ 0.0007630100000000, -0.0157155400000000, -0.0504393100000000 ] - [ -0.0014356100000000, 0.0061450800000000, 0.0032809600000000 ] - [ -0.0004652800000000, 0.0000819600000000, -0.0003201500000000 ] - [ 0.0007070000000000, 0.0007915100000000, 0.0001199100000000 ] - [ 0.0000928600000000, 0.0002254000000000, 0.0000765500000000 ] - [ 0.0000954900000000, 0.0002275300000000, 0.0000763100000000 ] - [ 0.0000844900000000, -0.0002448900000000, 0.0000682200000000 ] - [ 0.0000844400000000, -0.0002369500000000, 0.0000658000000000 ] - [ 0.0001541700000000, -0.0003963300000000, 0.0000374200000000 ] - [ 0.0001502600000000, -0.0003969100000000, 0.0000364500000000 ] - [ 0.0004445400000000, 0.0002440300000000, -0.0000173500000000 ] - [ 0.0003927100000000, 0.0004134700000000, -0.0000243100000000 ] - [ 0.0120738700000000, 0.0095342300000000, -0.0034806300000000 ] - [ -0.0036964300000000, -0.0009766700000000, 0.0010680400000000 ] - [ 0.0018854500000000, -0.0009846500000000, 0.0005825600000000 ] - [ 0.0003197300000000, -0.0004909000000000, 0.0002320600000000 ] - [ 0.0000860400000000, 0.0002346600000000, 0.0000624400000000 ] - [ 0.0000847200000000, 0.0002415700000000, 0.0000644400000000 ] - [ 0.0003889800000000, -0.0013528800000000, 0.0017437400000000 ] - [ -0.0000787400000000, 0.0011245500000000, 0.0004375000000000 ] - [ 0.0000352200000000, -0.0004480100000000, -0.0001261500000000 ] - [ 0.0000556400000000, -0.0003807300000000, -0.0000660700000000 ] - [ 0.0013211300000000, -0.0017773500000000, -0.0016086700000000 ] - [ 0.0009212500000000, 0.0008372700000000, -0.0009186300000000 ] - [ 0.0003951900000000, -0.0005023100000000, -0.0000359500000000 ] - [ 0.0004018300000000, -0.0003240900000000, -0.0000419300000000 ] - [ 0.0001480300000000, 0.0003927700000000, 0.0000390300000000 ] - [ 0.0001565800000000, 0.0003822700000000, 0.0000431000000000 ] - [ 0.0000392700000000, 0.0004340100000000, -0.0000337100000000 ] - [ -0.0000024700000000, 0.0004405700000000, -0.0000920200000000 ] - [ 0.0001018400000000, 0.0005515200000000, 0.0010379200000000 ] - [ -0.0004831500000000, 0.0001090100000000, 0.0005353500000000 ] - [ 0.0003884000000000, -0.0001757200000000, -0.0018218300000000 ] - [ -0.0002229800000000, 0.0006996600000000, -0.0002949600000000 ] - [ 0.0003811700000000, -0.0006261100000000, 0.0002552900000000 ] - [ 0.0004098600000000, -0.0006128500000000, 0.0002572600000000 ] - [ 0.0000956600000000, -0.0002238500000000, 0.0000781000000000 ] - [ 0.0000925000000000, -0.0002242700000000, 0.0000793600000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0025247000000000, 0.0000150700000000, -0.0002758300000000 ] - [ -0.0025350600000000, -0.0001472500000000, -0.0002889700000000 ] - [ 0.0195603200000000, 0.0041648100000000, -0.0067223100000000 ] - [ 0.0050941700000000, -0.0007373900000000, 0.0001408900000000 ] - [ -0.0026006400000000, 0.0000658000000000, -0.0002989000000000 ] - [ -0.0023715800000000, 0.0000452200000000, -0.0002688500000000 ] - [ 0.0063815300000000, 0.0002514000000000, -0.0016954700000000 ] - [ 0.0251566800000000, -0.0133627100000000, 0.0077352700000000 ] - [ -0.0055027200000000, -0.0002631100000000, -0.0010365300000000 ] - [ 0.0003431100000000, 0.0013097000000000, -0.0004198500000000 ] - [ -0.0017736300000000, 0.0001798800000000, 0.0001823300000000 ] - [ -0.0017764200000000, 0.0001750000000000, 0.0001858900000000 ] - [ -0.0001570300000000, -0.0039319000000000, -0.0000421400000000 ] - [ -0.0047329000000000, 0.0028780000000000, 0.0002771700000000 ] - [ -0.0017906000000000, -0.0001765600000000, 0.0001881800000000 ] - [ -0.0017570200000000, -0.0001777100000000, 0.0001824500000000 ] - [ 0.0014784900000000, 0.0024205600000000, -0.0014685000000000 ] - [ -0.0006466300000000, -0.0023355600000000, -0.0006141500000000 ] - [ -0.0050700600000000, 0.0049499800000000, 0.0018114900000000 ] - [ 0.0011734400000000, -0.0008680600000000, -0.0013919000000000 ] - [ -0.0017280000000000, 0.0014178800000000, -0.0003101600000000 ] - [ -0.0018922100000000, -0.0001469600000000, -0.0004167700000000 ] - [ -0.0022040600000000, -0.0009864100000000, -0.0007622700000000 ] - [ -0.0013345400000000, -0.0004677900000000, -0.0003500900000000 ] - [ -0.0008917400000000, 0.0000680800000000, -0.0001395100000000 ] - [ -0.0007485200000000, 0.0000014300000000, -0.0001877900000000 ] - [ -0.0008056800000000, -0.0001190700000000, -0.0001675700000000 ] - [ -0.0008238200000000, 0.0000483700000000, -0.0001600000000000 ] - [ -0.0021839500000000, 0.0003765600000000, -0.0008138200000000 ] - [ -0.0015352100000000, 0.0006698300000000, -0.0002926900000000 ] - [ -0.0019042000000000, -0.0010724400000000, -0.0002946600000000 ] - [ -0.0018377200000000, -0.0001491000000000, -0.0006349400000000 ] - [ 0.0021433700000000, -0.0038699100000000, -0.0012334700000000 ] - [ 0.0020779100000000, 0.0007695100000000, 0.0000502600000000 ] - [ -0.0009042500000000, -0.0001584800000000, -0.0000296200000000 ] - [ -0.0008809600000000, -0.0001620600000000, -0.0000328300000000 ] - [ -0.0008929200000000, 0.0001735100000000, -0.0000327900000000 ] - [ -0.0008903900000000, 0.0001458600000000, -0.0000319800000000 ] - [ 0.0023532700000000, -0.0017409500000000, 0.0000140400000000 ] - [ 0.0013938900000000, 0.0031708600000000, 0.0010310700000000 ] - [ 0.0016880200000000, 0.0007098600000000, 0.0004464000000000 ] - [ 0.0017553500000000, 0.0010811000000000, 0.0004067600000000 ] - [ -0.0014789300000000, -0.0021526700000000, 0.0031337900000000 ] - [ -0.0015738200000000, 0.0018155900000000, -0.0019887700000000 ] - [ -0.0429331600000000, 0.0051411500000000, -0.0048080100000000 ] - [ -0.0013444300000000, -0.0005794100000000, -0.0000308900000000 ] - [ -0.0038723200000000, -0.0020840900000000, 0.0005820600000000 ] - [ -0.0023109500000000, 0.0078684400000000, -0.0057081500000000 ] - [ 0.0005695500000000, -0.0001047300000000, 0.0003597800000000 ] - [ 0.0008342200000000, 0.0009030400000000, -0.0002194300000000 ] - [ 0.0013994900000000, 0.0006167500000000, 0.0002561700000000 ] - [ 0.0013443400000000, 0.0006189300000000, 0.0002553300000000 ] - [ 0.0017480200000000, -0.0008164300000000, 0.0005183600000000 ] - [ 0.0015552600000000, -0.0009906500000000, 0.0003272900000000 ] - [ -0.0012519400000000, 0.0006081700000000, 0.0002704000000000 ] - [ -0.0061678700000000, 0.0003543100000000, -0.0001973900000000 ] - [ 0.0005968300000000, 0.0000460400000000, 0.0002816500000000 ] - [ 0.0006080900000000, 0.0000901800000000, 0.0002524400000000 ] - [ 0.0012524000000000, -0.0025681200000000, 0.0016323700000000 ] - [ -0.0000619500000000, 0.0001013500000000, -0.0002560900000000 ] - [ 0.0005543600000000, -0.0003707600000000, 0.0001015100000000 ] - [ 0.0005540200000000, -0.0002973700000000, 0.0000754400000000 ] - [ 0.0012944100000000, 0.0004523300000000, 0.0004240200000000 ] - [ 0.0004683100000000, -0.0006455100000000, -0.0000017800000000 ] - [ 0.0001243500000000, -0.0070960100000000, 0.0073329500000000 ] - [ -0.0028557200000000, 0.0015440900000000, 0.0005523200000000 ] - [ 0.0010823600000000, -0.0011181300000000, -0.0016299900000000 ] - [ 0.0003621100000000, 0.0011793600000000, 0.0002903800000000 ] - [ 0.0005776900000000, 0.0003105500000000, 0.0000933300000000 ] - [ 0.0005316900000000, 0.0003837000000000, 0.0001062600000000 ] - [ 0.0006183300000000, -0.0000441700000000, 0.0002791900000000 ] - [ 0.0005867700000000, -0.0001061600000000, 0.0002349400000000 ] - [ 0.0079008800000000, 0.0045823600000000, -0.0065008200000000 ] - [ -0.0025739300000000, -0.0004954600000000, 0.0001934900000000 ] - [ -0.0034111400000000, 0.0022411600000000, 0.0005199300000000 ] - [ -0.0037868200000000, -0.0011832500000000, 0.0010470500000000 ] - [ 0.0028770200000000, 0.0014546000000000, 0.0006680600000000 ] - [ 0.0007702100000000, 0.0005280800000000, 0.0002026100000000 ] - [ 0.0004759400000000, 0.0003083300000000, -0.0000226900000000 ] - [ 0.0004791000000000, 0.0003121000000000, -0.0000229100000000 ] - [ 0.0004387500000000, -0.0001881900000000, 0.0000539800000000 ] - [ 0.0004385400000000, -0.0001828200000000, 0.0000492000000000 ] - [ 0.0011670100000000, -0.0001292500000000, -0.0001770500000000 ] - [ 0.0011611400000000, -0.0000950700000000, -0.0001529800000000 ] - [ 0.0009964700000000, 0.0004453900000000, 0.0000843100000000 ] - [ 0.0009037100000000, 0.0002113300000000, -0.0000024700000000 ] - [ -0.0027582600000000, 0.0013697000000000, 0.0001499300000000 ] - [ 0.0061492200000000, -0.0046714500000000, 0.0066563500000000 ] - [ 0.0010670900000000, -0.0004208100000000, 0.0001381100000000 ] - [ 0.0019670700000000, -0.0011988500000000, 0.0004820600000000 ] - [ 0.0004426100000000, 0.0001814700000000, 0.0000480500000000 ] - [ 0.0004342600000000, 0.0001867300000000, 0.0000539400000000 ] - [ 0.0024865200000000, 0.0029738600000000, 0.0013734900000000 ] - [ 0.0006792700000000, -0.0017645100000000, 0.0009829100000000 ] - [ 0.0006274800000000, -0.0005376400000000, -0.0001395800000000 ] - [ 0.0005353000000000, -0.0004133400000000, -0.0001347500000000 ] - [ 0.0016795000000000, -0.0012961200000000, -0.0002003100000000 ] - [ -0.0003146400000000, 0.0006275300000000, -0.0000988500000000 ] - [ 0.0010446200000000, -0.0001832300000000, 0.0000397000000000 ] - [ 0.0008716700000000, -0.0004261600000000, 0.0000593100000000 ] - [ 0.0011562700000000, 0.0001331100000000, -0.0001711500000000 ] - [ 0.0011653400000000, 0.0000988000000000, -0.0001634000000000 ] - [ 0.0005758900000000, 0.0005830700000000, -0.0002197500000000 ] - [ 0.0005943300000000, 0.0003816100000000, -0.0000867700000000 ] - [ -0.0002846700000000, 0.0006453600000000, 0.0004325000000000 ] - [ 0.0005947300000000, -0.0004814400000000, -0.0001080800000000 ] - [ 0.0011438000000000, 0.0023946300000000, 0.0001653500000000 ] - [ -0.0001231500000000, -0.0014129700000000, -0.0004192900000000 ] - [ 0.0013736100000000, -0.0006276800000000, 0.0002543700000000 ] - [ 0.0013857800000000, -0.0006076300000000, 0.0002532500000000 ] - [ 0.0004797800000000, -0.0003078900000000, -0.0000235500000000 ] - [ 0.0004757800000000, -0.0003100800000000, -0.0000209500000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017881600000000, 0.0001029800000000, 0.0001863800000000 ] - [ 0.0017980100000000, 0.0002618800000000, 0.0001991400000000 ] - [ -0.0187706300000000, -0.0039629400000000, 0.0063566500000000 ] - [ -0.0043284700000000, 0.0009398800000000, -0.0002566500000000 ] - [ 0.0018626200000000, -0.0001854300000000, 0.0002099500000000 ] - [ 0.0016399300000000, -0.0001605200000000, 0.0001812300000000 ] - [ -0.0056155800000000, -0.0004102500000000, 0.0016100200000000 ] - [ -0.0242806500000000, 0.0127302300000000, -0.0074226900000000 ] - [ 0.0048104000000000, 0.0003736200000000, 0.0009597700000000 ] - [ -0.0011126200000000, -0.0011977900000000, 0.0003314100000000 ] - [ 0.0025066600000000, -0.0000609700000000, -0.0002709700000000 ] - [ 0.0025077300000000, -0.0000581900000000, -0.0002735400000000 ] - [ -0.0006009700000000, 0.0038693100000000, -0.0000513400000000 ] - [ 0.0040089000000000, -0.0030238100000000, -0.0003795300000000 ] - [ 0.0025221800000000, 0.0000592700000000, -0.0002749500000000 ] - [ 0.0024888100000000, 0.0000582200000000, -0.0002710200000000 ] - [ -0.0004414600000000, -0.0029103400000000, 0.0007781700000000 ] - [ 0.0016809400000000, 0.0017767300000000, -0.0000889900000000 ] - [ 0.0060337700000000, -0.0043577400000000, -0.0024737900000000 ] - [ -0.0001288700000000, 0.0014042600000000, 0.0007074200000000 ] - [ 0.0007127900000000, -0.0008760300000000, -0.0003658000000000 ] - [ 0.0008836100000000, 0.0006560600000000, -0.0002578600000000 ] - [ 0.0011847300000000, 0.0004493400000000, 0.0000808400000000 ] - [ 0.0003293400000000, -0.0000496100000000, -0.0003248400000000 ] - [ 0.0019035900000000, -0.0005944500000000, -0.0005368300000000 ] - [ 0.0017583200000000, -0.0005242200000000, -0.0004887900000000 ] - [ 0.0018168300000000, 0.0006444700000000, -0.0005096100000000 ] - [ 0.0018338700000000, 0.0004747800000000, -0.0005173200000000 ] - [ 0.0011750000000000, 0.0001450800000000, 0.0001386500000000 ] - [ 0.0005191100000000, -0.0001458300000000, -0.0003867400000000 ] - [ 0.0008949000000000, 0.0005569900000000, -0.0003846400000000 ] - [ 0.0008242600000000, -0.0003784800000000, -0.0000418900000000 ] - [ -0.0023420400000000, 0.0041204800000000, 0.0010990100000000 ] - [ -0.0021192500000000, -0.0004347100000000, -0.0001145900000000 ] - [ 0.0009023400000000, -0.0001664200000000, -0.0000335800000000 ] - [ 0.0008785000000000, -0.0001630000000000, -0.0000329600000000 ] - [ 0.0008918400000000, 0.0001524100000000, -0.0000332100000000 ] - [ 0.0008884000000000, 0.0001794900000000, -0.0000350800000000 ] - [ -0.0023910400000000, 0.0014283200000000, -0.0000796700000000 ] - [ -0.0014479700000000, -0.0035288100000000, -0.0010929300000000 ] - [ -0.0011559700000000, 0.0003135700000000, -0.0001862600000000 ] - [ -0.0012196900000000, -0.0000473100000000, -0.0001483000000000 ] - [ 0.0014092200000000, 0.0026607900000000, -0.0030181200000000 ] - [ 0.0015004700000000, -0.0015817300000000, 0.0023633400000000 ] - [ 0.0430242200000000, -0.0051053000000000, 0.0048284700000000 ] - [ 0.0012321800000000, 0.0000592100000000, 0.0001841500000000 ] - [ 0.0032967900000000, 0.0010372700000000, -0.0003205900000000 ] - [ 0.0017115400000000, -0.0088188100000000, 0.0059185200000000 ] - [ -0.0002022100000000, 0.0008887700000000, -0.0004472400000000 ] - [ -0.0004679000000000, -0.0000893100000000, 0.0001195100000000 ] - [ -0.0013999500000000, 0.0006205100000000, 0.0002541000000000 ] - [ -0.0013460200000000, 0.0006185900000000, 0.0002552100000000 ] - [ -0.0012146800000000, -0.0002095300000000, -0.0002585600000000 ] - [ -0.0010264900000000, -0.0000412800000000, -0.0000706400000000 ] - [ 0.0011377600000000, -0.0001071200000000, -0.0001329000000000 ] - [ 0.0060504800000000, 0.0001784500000000, 0.0003921300000000 ] - [ -0.0004763600000000, 0.0003345500000000, -0.0000442000000000 ] - [ -0.0004886200000000, 0.0002936400000000, -0.0000166900000000 ] - [ -0.0016054600000000, 0.0017349200000000, -0.0016905500000000 ] - [ -0.0003210800000000, -0.0008925700000000, 0.0001598300000000 ] - [ -0.0004385100000000, -0.0001444400000000, 0.0000397600000000 ] - [ -0.0004386800000000, -0.0002204800000000, 0.0000691000000000 ] - [ -0.0009193700000000, -0.0012319600000000, -0.0005088700000000 ] - [ -0.0001060700000000, -0.0001616200000000, -0.0000975800000000 ] - [ -0.0006589400000000, 0.0080088400000000, -0.0069628700000000 ] - [ 0.0022843900000000, -0.0005070200000000, -0.0002843100000000 ] - [ -0.0014345500000000, 0.0018821700000000, 0.0014987900000000 ] - [ -0.0007389900000000, -0.0003736800000000, -0.0003769000000000 ] - [ -0.0004617800000000, 0.0002085500000000, 0.0000516200000000 ] - [ -0.0004166900000000, 0.0001345600000000, 0.0000366900000000 ] - [ -0.0004976900000000, -0.0003363200000000, -0.0000419700000000 ] - [ -0.0004678200000000, -0.0002797700000000, -0.0000010900000000 ] - [ -0.0080496400000000, -0.0059221700000000, 0.0071586800000000 ] - [ 0.0026106000000000, -0.0007484100000000, 0.0003190300000000 ] - [ 0.0033172300000000, -0.0025390100000000, -0.0002764200000000 ] - [ 0.0037110100000000, 0.0007143700000000, -0.0008709300000000 ] - [ -0.0023674600000000, -0.0004328900000000, -0.0004124600000000 ] - [ -0.0002314600000000, 0.0005034600000000, 0.0000577300000000 ] - [ -0.0005947300000000, 0.0000759200000000, 0.0002571400000000 ] - [ -0.0005966100000000, 0.0000739800000000, 0.0002559400000000 ] - [ -0.0005535200000000, -0.0003289400000000, 0.0000907400000000 ] - [ -0.0005535400000000, -0.0003327800000000, 0.0000945700000000 ] - [ -0.0016942200000000, -0.0008956600000000, 0.0004361100000000 ] - [ -0.0016867900000000, -0.0009316300000000, 0.0004111900000000 ] - [ -0.0006252700000000, 0.0003493500000000, -0.0001794400000000 ] - [ -0.0005301500000000, 0.0005853000000000, -0.0000909400000000 ] - [ 0.0027891200000000, -0.0001411600000000, 0.0003556500000000 ] - [ -0.0062292700000000, 0.0060206300000000, -0.0062619800000000 ] - [ -0.0005261200000000, -0.0006146700000000, 0.0001242700000000 ] - [ -0.0014362500000000, 0.0001720600000000, -0.0002232100000000 ] - [ -0.0005575100000000, 0.0003310500000000, 0.0000925900000000 ] - [ -0.0005493000000000, 0.0003259900000000, 0.0000873100000000 ] - [ -0.0024037500000000, -0.0026375500000000, -0.0011594600000000 ] - [ -0.0005589600000000, 0.0021652900000000, -0.0007495800000000 ] - [ -0.0009969200000000, -0.0002582600000000, 0.0000461400000000 ] - [ -0.0009061200000000, -0.0003851700000000, 0.0000393600000000 ] - [ -0.0015686300000000, 0.0007963500000000, 0.0003401000000000 ] - [ 0.0004411700000000, -0.0011601500000000, 0.0002445100000000 ] - [ -0.0006730100000000, -0.0006127500000000, -0.0001338000000000 ] - [ -0.0004984000000000, -0.0003695700000000, -0.0001529100000000 ] - [ -0.0016871000000000, 0.0008934400000000, 0.0004293100000000 ] - [ -0.0016911500000000, 0.0009274500000000, 0.0004205600000000 ] - [ -0.0009479700000000, 0.0002107300000000, 0.0001254500000000 ] - [ -0.0009639000000000, 0.0004179400000000, -0.0000097500000000 ] - [ 0.0004096000000000, -0.0001349500000000, -0.0002943100000000 ] - [ -0.0004792000000000, 0.0010157700000000, 0.0002576900000000 ] - [ -0.0010352800000000, -0.0028106400000000, 0.0000748300000000 ] - [ 0.0002529600000000, 0.0010416300000000, 0.0006620500000000 ] - [ -0.0013704600000000, -0.0006107900000000, 0.0002561900000000 ] - [ -0.0013860700000000, -0.0006290800000000, 0.0002573700000000 ] - [ -0.0005972100000000, -0.0000746000000000, 0.0002589900000000 ] - [ -0.0005952000000000, -0.0000702900000000, 0.0002593100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005246600000000, -0.0000599400000000, -0.0000632600000000 ] - [ -0.0008109100000000, 0.0001651300000000, -0.0000948500000000 ] - [ -0.0081010100000000, 0.0042951400000000, 0.0134902900000000 ] - [ -0.0020357700000000, -0.0267067200000000, 0.0017883100000000 ] - [ -0.0005683300000000, 0.0000774600000000, -0.0000716000000000 ] - [ -0.0008413300000000, -0.0001631700000000, -0.0001059800000000 ] - [ 0.0043255100000000, -0.0256523500000000, -0.0050265700000000 ] - [ -0.0019470300000000, 0.0982972300000000, -0.0452285100000000 ] - [ -0.0076879200000000, 0.0035845400000000, -0.0015219800000000 ] - [ 0.0030325200000000, -0.0031394500000000, 0.0004711800000000 ] - [ 0.0000335500000000, 0.0000619600000000, -0.0000132700000000 ] - [ 0.0000407400000000, 0.0000938500000000, -0.0000136400000000 ] - [ -0.0025569800000000, -0.0055065800000000, 0.0000041100000000 ] - [ 0.0077687200000000, 0.0036215100000000, -0.0001853800000000 ] - [ 0.0000309300000000, -0.0000619100000000, -0.0000120800000000 ] - [ 0.0000389900000000, -0.0000949200000000, -0.0000151000000000 ] - [ 0.0045644700000000, -0.0075363500000000, 0.0003919000000000 ] - [ -0.0061367700000000, 0.0045990100000000, 0.0044390600000000 ] - [ 0.0113257000000000, 0.0024351500000000, -0.0045159700000000 ] - [ -0.0053108600000000, -0.0079760800000000, -0.0015598800000000 ] - [ 0.0003211100000000, -0.0020708700000000, -0.0000493700000000 ] - [ -0.0024872600000000, 0.0025142000000000, -0.0007765500000000 ] - [ 0.0007227900000000, 0.0020532100000000, -0.0000130300000000 ] - [ -0.0016573600000000, -0.0025659900000000, -0.0007758300000000 ] - [ 0.0001594900000000, 0.0000006200000000, -0.0002820100000000 ] - [ 0.0004318700000000, -0.0004443300000000, -0.0003525500000000 ] - [ 0.0002056500000000, -0.0000244700000000, -0.0002780900000000 ] - [ 0.0004384700000000, 0.0004481500000000, -0.0003309400000000 ] - [ -0.0013826600000000, 0.0007768200000000, -0.0007173900000000 ] - [ -0.0000762300000000, -0.0002800100000000, -0.0002250400000000 ] - [ -0.0013301700000000, -0.0010876600000000, -0.0003670900000000 ] - [ -0.0001471800000000, 0.0003302200000000, -0.0001138500000000 ] - [ -0.0100918400000000, 0.0042088000000000, -0.0028250100000000 ] - [ 0.0051077700000000, -0.0063339200000000, 0.0000068700000000 ] - [ -0.0001193000000000, -0.0001456500000000, -0.0000324500000000 ] - [ -0.0001578900000000, -0.0001786800000000, -0.0000320500000000 ] - [ -0.0001180900000000, 0.0001463000000000, -0.0000341300000000 ] - [ -0.0001559200000000, 0.0001789500000000, -0.0000338000000000 ] - [ -0.0023004900000000, -0.0061111100000000, 0.0006955900000000 ] - [ 0.0053576700000000, 0.0077243100000000, -0.0008278400000000 ] - [ 0.0004588100000000, 0.0013191500000000, -0.0001483500000000 ] - [ 0.0004230100000000, -0.0000317000000000, 0.0004137800000000 ] - [ 0.0063487200000000, 0.0191011500000000, -0.0132157100000000 ] - [ -0.0065229000000000, 0.0237651300000000, -0.0219042500000000 ] - [ 0.0052850200000000, -0.1673953200000000, 0.1039885000000000 ] - [ -0.0003786700000000, 0.0132129000000000, -0.0070962300000000 ] - [ -0.0022019400000000, 0.0010743000000000, 0.0003589900000000 ] - [ 0.0234025300000000, 0.0076388300000000, -0.0082008100000000 ] - [ -0.0004452800000000, 0.0033252700000000, -0.0016530200000000 ] - [ 0.0010330700000000, -0.0029929600000000, 0.0007390100000000 ] - [ 0.0001969800000000, 0.0005980100000000, 0.0002447500000000 ] - [ 0.0002245000000000, 0.0006393500000000, 0.0002677600000000 ] - [ 0.0005134600000000, -0.0011509800000000, -0.0000700800000000 ] - [ 0.0004539800000000, 0.0001296500000000, 0.0005076800000000 ] - [ -0.0004185600000000, 0.0108373100000000, 0.0057404400000000 ] - [ -0.0001395700000000, -0.0241359100000000, -0.0215706000000000 ] - [ 0.0001315400000000, 0.0002421600000000, 0.0000972500000000 ] - [ 0.0001594500000000, 0.0001049300000000, 0.0001851700000000 ] - [ -0.0027515200000000, 0.0013724900000000, -0.0007792400000000 ] - [ 0.0023045900000000, 0.0003527000000000, -0.0002987500000000 ] - [ 0.0000953200000000, -0.0002821300000000, 0.0000516000000000 ] - [ 0.0001702700000000, -0.0002838400000000, 0.0000903300000000 ] - [ -0.0003240700000000, -0.0043261400000000, -0.0013977500000000 ] - [ 0.0012500800000000, 0.0028573100000000, 0.0017039400000000 ] - [ -0.0142305600000000, 0.0096143700000000, -0.0056618800000000 ] - [ 0.0024136600000000, 0.0017978600000000, -0.0006065700000000 ] - [ -0.0025340200000000, 0.0014549500000000, 0.0009998300000000 ] - [ 0.0023630300000000, 0.0011405500000000, -0.0007913800000000 ] - [ 0.0001075500000000, 0.0002583500000000, 0.0000601600000000 ] - [ 0.0001814100000000, 0.0002669300000000, 0.0001002500000000 ] - [ 0.0001357600000000, -0.0002350900000000, 0.0001023200000000 ] - [ 0.0001618100000000, -0.0000937900000000, 0.0001916200000000 ] - [ 0.0137031300000000, -0.0018620300000000, -0.0040954700000000 ] - [ -0.0043027400000000, 0.0035611700000000, 0.0003270400000000 ] - [ 0.0039247500000000, 0.0278823600000000, 0.0042706900000000 ] - [ -0.0086250000000000, 0.0267133300000000, 0.0136656800000000 ] - [ 0.0024834900000000, 0.0009200400000000, 0.0008152700000000 ] - [ -0.0006202500000000, 0.0005500600000000, -0.0000817000000000 ] - [ 0.0000203500000000, 0.0002195600000000, 0.0000957200000000 ] - [ 0.0000165800000000, 0.0001957800000000, 0.0001020900000000 ] - [ 0.0000196400000000, -0.0002529900000000, 0.0000662100000000 ] - [ 0.0000154500000000, -0.0002517000000000, 0.0000716700000000 ] - [ -0.0000466900000000, -0.0005142700000000, 0.0000557000000000 ] - [ -0.0000272900000000, -0.0003741700000000, 0.0001135700000000 ] - [ 0.0005459400000000, 0.0004561800000000, 0.0000334900000000 ] - [ 0.0000393300000000, 0.0003824400000000, -0.0001314100000000 ] - [ 0.0021225000000000, 0.0051295800000000, -0.0001929300000000 ] - [ -0.0169857400000000, -0.0029756700000000, -0.0040853200000000 ] - [ 0.0010798500000000, -0.0002980800000000, 0.0001918200000000 ] - [ -0.0011392200000000, -0.0004469600000000, -0.0003500800000000 ] - [ 0.0000192100000000, 0.0002494600000000, 0.0000644800000000 ] - [ 0.0000143100000000, 0.0002491100000000, 0.0000717400000000 ] - [ 0.0031040900000000, 0.0021293600000000, 0.0016407200000000 ] - [ -0.0017634700000000, 0.0008400200000000, -0.0009694500000000 ] - [ -0.0000169400000000, -0.0007304500000000, -0.0001566100000000 ] - [ -0.0001480300000000, -0.0001013200000000, 0.0000661800000000 ] - [ 0.0011084700000000, -0.0049715600000000, 0.0017446700000000 ] - [ -0.0008443400000000, 0.0029232400000000, -0.0010531100000000 ] - [ 0.0005858700000000, -0.0003224100000000, 0.0000611200000000 ] - [ 0.0000439200000000, -0.0003694800000000, -0.0000941000000000 ] - [ -0.0000512100000000, 0.0005216200000000, 0.0000522500000000 ] - [ -0.0000338100000000, 0.0003854500000000, 0.0001075700000000 ] - [ -0.0000055900000000, 0.0007333900000000, -0.0002112800000000 ] - [ -0.0001088100000000, 0.0000829600000000, 0.0000494700000000 ] - [ 0.0004405900000000, 0.0031204300000000, 0.0011250100000000 ] - [ -0.0006893900000000, -0.0034485600000000, -0.0017018400000000 ] - [ 0.0018007900000000, 0.0017881600000000, 0.0004094200000000 ] - [ -0.0013568500000000, -0.0001179300000000, -0.0000267700000000 ] - [ 0.0001940900000000, -0.0005956500000000, 0.0002424500000000 ] - [ 0.0002198100000000, -0.0006360000000000, 0.0002637200000000 ] - [ 0.0000199400000000, -0.0002189200000000, 0.0000965300000000 ] - [ 0.0000158200000000, -0.0001937900000000, 0.0001048200000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002182000000000, 0.0001737100000000, -0.0000310400000000 ] - [ 0.0000671400000000, -0.0000496800000000, 0.0000008600000000 ] - [ 0.0088263600000000, -0.0047905300000000, -0.0125447200000000 ] - [ 0.0027616600000000, 0.0267195900000000, -0.0019376300000000 ] - [ -0.0001718600000000, -0.0001942600000000, -0.0000216800000000 ] - [ 0.0000985900000000, 0.0000492700000000, 0.0000131300000000 ] - [ -0.0035978100000000, 0.0255585200000000, 0.0049727700000000 ] - [ 0.0022982800000000, -0.0933589400000000, 0.0407754100000000 ] - [ 0.0069127300000000, -0.0034759000000000, 0.0014220800000000 ] - [ -0.0037352100000000, 0.0032896000000000, -0.0005699000000000 ] - [ 0.0006925100000000, 0.0000549400000000, -0.0000778600000000 ] - [ 0.0006831700000000, 0.0000220900000000, -0.0000765100000000 ] - [ 0.0018417500000000, 0.0053411400000000, -0.0001008900000000 ] - [ -0.0085405100000000, -0.0037083400000000, 0.0000963500000000 ] - [ 0.0006935900000000, -0.0000540400000000, -0.0000785400000000 ] - [ 0.0006856700000000, -0.0000221700000000, -0.0000764900000000 ] - [ -0.0035836800000000, 0.0070150400000000, -0.0010593100000000 ] - [ 0.0071512000000000, -0.0050592400000000, -0.0050611600000000 ] - [ -0.0102506700000000, -0.0019982000000000, 0.0038336900000000 ] - [ 0.0062795700000000, 0.0084667100000000, 0.0008890500000000 ] - [ -0.0013392400000000, 0.0025810400000000, -0.0006243200000000 ] - [ 0.0014631300000000, -0.0019826600000000, 0.0001037200000000 ] - [ -0.0017361700000000, -0.0025679600000000, -0.0006598400000000 ] - [ 0.0006346100000000, 0.0020419600000000, 0.0000960900000000 ] - [ 0.0008466900000000, -0.0005243300000000, -0.0003877800000000 ] - [ 0.0005754200000000, -0.0000758200000000, -0.0003192700000000 ] - [ 0.0008021800000000, 0.0005450500000000, -0.0003940600000000 ] - [ 0.0005668300000000, 0.0000742100000000, -0.0003418800000000 ] - [ 0.0003615100000000, -0.0002642200000000, 0.0000388700000000 ] - [ -0.0009365900000000, 0.0008023200000000, -0.0004451900000000 ] - [ 0.0003141400000000, 0.0005649500000000, -0.0003032700000000 ] - [ -0.0008694000000000, -0.0008430700000000, -0.0005619100000000 ] - [ 0.0099106100000000, -0.0040515500000000, 0.0026844400000000 ] - [ -0.0050377900000000, 0.0066518900000000, -0.0000646500000000 ] - [ 0.0001152400000000, -0.0001834000000000, -0.0000329700000000 ] - [ 0.0001524200000000, -0.0001509900000000, -0.0000354200000000 ] - [ 0.0001137600000000, 0.0001833300000000, -0.0000336400000000 ] - [ 0.0001517900000000, 0.0001516100000000, -0.0000348600000000 ] - [ 0.0023469000000000, 0.0057581100000000, -0.0007687200000000 ] - [ -0.0054125300000000, -0.0079291100000000, 0.0008053400000000 ] - [ 0.0000701500000000, -0.0002966200000000, 0.0004024500000000 ] - [ 0.0001065600000000, 0.0010498600000000, -0.0001582500000000 ] - [ -0.0065391100000000, -0.0188463400000000, 0.0134793100000000 ] - [ 0.0062926800000000, -0.0231441800000000, 0.0219735900000000 ] - [ -0.0049736300000000, 0.1624541800000000, -0.1006585200000000 ] - [ 0.0002569900000000, -0.0137278700000000, 0.0072313600000000 ] - [ 0.0017255100000000, -0.0020701200000000, -0.0001068200000000 ] - [ -0.0235924200000000, -0.0086543000000000, 0.0084124100000000 ] - [ 0.0008301400000000, -0.0025233000000000, 0.0015572700000000 ] - [ -0.0006523700000000, 0.0037840500000000, -0.0008344800000000 ] - [ -0.0001937700000000, 0.0006363200000000, 0.0002627600000000 ] - [ -0.0002214500000000, 0.0005949200000000, 0.0002409400000000 ] - [ 0.0000113800000000, 0.0001307000000000, 0.0003221600000000 ] - [ 0.0000726000000000, -0.0011486800000000, -0.0002518000000000 ] - [ 0.0002924400000000, -0.0102909500000000, -0.0055843200000000 ] - [ 0.0000308700000000, 0.0246816900000000, 0.0217540700000000 ] - [ -0.0000019400000000, 0.0001335400000000, 0.0001465800000000 ] - [ -0.0000311800000000, 0.0002729100000000, 0.0000583700000000 ] - [ 0.0023654600000000, -0.0021524100000000, 0.0006682600000000 ] - [ -0.0026681900000000, -0.0011495900000000, 0.0002090400000000 ] - [ 0.0000242800000000, -0.0002433600000000, 0.0000901200000000 ] - [ -0.0000507500000000, -0.0002448400000000, 0.0000549200000000 ] - [ 0.0007006300000000, 0.0035181300000000, 0.0012992800000000 ] - [ -0.0008620200000000, -0.0036447500000000, -0.0017961200000000 ] - [ 0.0138673900000000, -0.0086138800000000, 0.0059866800000000 ] - [ -0.0028928000000000, -0.0007893600000000, 0.0008540600000000 ] - [ 0.0021526400000000, -0.0006447600000000, -0.0010735100000000 ] - [ -0.0027316800000000, -0.0003495100000000, 0.0006828400000000 ] - [ 0.0000115400000000, 0.0002725900000000, 0.0000857000000000 ] - [ -0.0000617900000000, 0.0002616000000000, 0.0000437300000000 ] - [ -0.0000068300000000, -0.0001415300000000, 0.0001405800000000 ] - [ -0.0000331700000000, -0.0002857800000000, 0.0000502600000000 ] - [ -0.0136910800000000, 0.0007022400000000, 0.0045850300000000 ] - [ 0.0042517400000000, -0.0047861200000000, 0.0001849600000000 ] - [ -0.0041384200000000, -0.0286531800000000, -0.0040226200000000 ] - [ 0.0083572400000000, -0.0267038100000000, -0.0132201800000000 ] - [ -0.0019544300000000, 0.0001039400000000, -0.0005592900000000 ] - [ 0.0011311200000000, 0.0004630300000000, 0.0003326100000000 ] - [ -0.0001444600000000, 0.0001605200000000, 0.0001444000000000 ] - [ -0.0001403600000000, 0.0001860900000000, 0.0001367800000000 ] - [ -0.0001347000000000, -0.0002746200000000, 0.0000786500000000 ] - [ -0.0001310900000000, -0.0002735400000000, 0.0000729200000000 ] - [ -0.0004647600000000, -0.0004993400000000, 0.0001963800000000 ] - [ -0.0004811500000000, -0.0006397700000000, 0.0001377300000000 ] - [ -0.0001644300000000, 0.0003408100000000, -0.0001271800000000 ] - [ 0.0003419300000000, 0.0004124000000000, 0.0000362400000000 ] - [ -0.0021632000000000, -0.0038822200000000, 0.0006990900000000 ] - [ 0.0169700200000000, 0.0041031800000000, 0.0046312800000000 ] - [ -0.0005578300000000, -0.0007169900000000, 0.0000602600000000 ] - [ 0.0016682200000000, -0.0005778600000000, 0.0006053300000000 ] - [ -0.0001345100000000, 0.0002728000000000, 0.0000764800000000 ] - [ -0.0001300300000000, 0.0002730400000000, 0.0000694000000000 ] - [ -0.0029592200000000, -0.0017240100000000, -0.0013835100000000 ] - [ 0.0019011900000000, -0.0005013400000000, 0.0012206500000000 ] - [ -0.0003558800000000, -0.0000693400000000, 0.0000623900000000 ] - [ -0.0002290600000000, -0.0006964400000000, -0.0001622300000000 ] - [ -0.0009792600000000, 0.0044361000000000, -0.0016019900000000 ] - [ 0.0009476900000000, -0.0034400900000000, 0.0011967100000000 ] - [ -0.0002029700000000, -0.0004712400000000, -0.0001550800000000 ] - [ 0.0003370100000000, -0.0004271800000000, 0.0000010100000000 ] - [ -0.0004623800000000, 0.0004928900000000, 0.0001985400000000 ] - [ -0.0004756600000000, 0.0006286300000000, 0.0001431200000000 ] - [ -0.0003720200000000, 0.0000644200000000, 0.0001138100000000 ] - [ -0.0002650300000000, 0.0007145900000000, -0.0001457400000000 ] - [ -0.0003350200000000, -0.0025907400000000, -0.0009759000000000 ] - [ 0.0008120500000000, 0.0039770700000000, 0.0018425400000000 ] - [ -0.0016618600000000, -0.0021296300000000, -0.0001643000000000 ] - [ 0.0014834800000000, -0.0002847900000000, 0.0002667000000000 ] - [ -0.0001884200000000, -0.0006394400000000, 0.0002654300000000 ] - [ -0.0002163300000000, -0.0005981400000000, 0.0002441900000000 ] - [ -0.0001434300000000, -0.0001585900000000, 0.0001450300000000 ] - [ -0.0001406400000000, -0.0001823600000000, 0.0001391800000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003204000000000, 0.0000747800000000, -0.0000477300000000 ] - [ -0.0001918100000000, 0.0000534900000000, -0.0000301200000000 ] - [ 0.0097940200000000, -0.0072588300000000, 0.0065822100000000 ] - [ 0.0012669000000000, 0.0135471500000000, -0.0023497700000000 ] - [ -0.0003110800000000, -0.0001174600000000, -0.0000294100000000 ] - [ -0.0003103600000000, 0.0000120800000000, -0.0000175900000000 ] - [ -0.0014397200000000, 0.0146424500000000, -0.0026611900000000 ] - [ 0.0030335400000000, -0.0559401500000000, 0.0318405300000000 ] - [ 0.0069487100000000, -0.0003360500000000, 0.0008818200000000 ] - [ -0.0014782800000000, 0.0015553000000000, -0.0001681200000000 ] - [ 0.0004615600000000, 0.0000551500000000, -0.0000508400000000 ] - [ 0.0004492300000000, 0.0000503100000000, -0.0000492800000000 ] - [ 0.0011848700000000, 0.0009694600000000, -0.0003884600000000 ] - [ -0.0058887500000000, -0.0005130900000000, -0.0001301500000000 ] - [ 0.0004616500000000, -0.0000604400000000, -0.0000516400000000 ] - [ 0.0004422800000000, -0.0000457800000000, -0.0000491100000000 ] - [ -0.0040504000000000, 0.0051234300000000, -0.0011549200000000 ] - [ 0.0025166800000000, -0.0035228400000000, -0.0045403300000000 ] - [ -0.0031115600000000, -0.0023167900000000, 0.0044087800000000 ] - [ 0.0042811700000000, 0.0054285100000000, 0.0008308700000000 ] - [ -0.0009602500000000, 0.0010997500000000, -0.0008203400000000 ] - [ 0.0006191400000000, -0.0007302700000000, -0.0002267200000000 ] - [ -0.0013415300000000, -0.0013081700000000, -0.0003799800000000 ] - [ -0.0001094600000000, 0.0008988900000000, 0.0000657300000000 ] - [ 0.0006381600000000, -0.0003977700000000, -0.0003562700000000 ] - [ 0.0004992400000000, -0.0001431700000000, -0.0003232000000000 ] - [ 0.0006132500000000, 0.0004033600000000, -0.0003603600000000 ] - [ 0.0004771700000000, 0.0001586600000000, -0.0003360000000000 ] - [ -0.0002113600000000, -0.0000796200000000, -0.0001117900000000 ] - [ -0.0007223500000000, 0.0005964300000000, -0.0003462900000000 ] - [ -0.0001793300000000, 0.0001545400000000, -0.0003469400000000 ] - [ -0.0007656800000000, -0.0005072800000000, -0.0004871500000000 ] - [ 0.0022147700000000, -0.0046092600000000, 0.0027811400000000 ] - [ -0.0019276000000000, 0.0036343700000000, 0.0002810400000000 ] - [ 0.0000343800000000, -0.0001750200000000, -0.0000348700000000 ] - [ 0.0000404100000000, -0.0001600500000000, -0.0000356200000000 ] - [ 0.0000277600000000, 0.0001671500000000, -0.0000345000000000 ] - [ 0.0000431200000000, 0.0001704800000000, -0.0000352000000000 ] - [ 0.0022870900000000, 0.0036504400000000, 0.0006314900000000 ] - [ 0.0008952500000000, -0.0064718100000000, -0.0024462300000000 ] - [ 0.0001334300000000, 0.0001653500000000, 0.0002835700000000 ] - [ 0.0001628000000000, 0.0007296900000000, 0.0000204200000000 ] - [ -0.0091267600000000, -0.0234349100000000, 0.0227669300000000 ] - [ 0.0039117000000000, -0.0123040000000000, 0.0161597000000000 ] - [ -0.0047393100000000, 0.1015424900000000, -0.1311785900000000 ] - [ -0.0001727400000000, -0.0074659400000000, 0.0042993100000000 ] - [ 0.0014665000000000, -0.0012773700000000, 0.0004873300000000 ] - [ -0.0164561100000000, -0.0070649100000000, 0.0042529700000000 ] - [ 0.0010394800000000, -0.0015844700000000, 0.0014228500000000 ] - [ -0.0000846200000000, 0.0019137800000000, 0.0000578700000000 ] - [ -0.0000610900000000, 0.0006266000000000, 0.0002559100000000 ] - [ -0.0000392400000000, 0.0006029600000000, 0.0002409800000000 ] - [ 0.0001820000000000, -0.0002260900000000, 0.0001901000000000 ] - [ 0.0003749100000000, -0.0008598300000000, -0.0000430200000000 ] - [ 0.0001397000000000, -0.0054200000000000, -0.0028481600000000 ] - [ -0.0003624500000000, 0.0220996400000000, 0.0534976400000000 ] - [ 0.0000522400000000, 0.0001797600000000, 0.0001168400000000 ] - [ 0.0000306100000000, 0.0002179500000000, 0.0000956000000000 ] - [ 0.0008053300000000, -0.0003203300000000, -0.0009209600000000 ] - [ -0.0014004500000000, -0.0007222600000000, -0.0001615200000000 ] - [ 0.0000581800000000, -0.0002444800000000, 0.0000833200000000 ] - [ 0.0000299200000000, -0.0002826900000000, 0.0000850300000000 ] - [ 0.0003402300000000, 0.0010864400000000, -0.0000313800000000 ] - [ -0.0003658100000000, -0.0024746100000000, -0.0014757400000000 ] - [ 0.0147185100000000, -0.0107794400000000, 0.0031186500000000 ] - [ -0.0014275400000000, -0.0001698800000000, 0.0005236200000000 ] - [ 0.0010062200000000, 0.0004981700000000, 0.0004883700000000 ] - [ -0.0014135800000000, 0.0001578300000000, 0.0007060500000000 ] - [ 0.0000401500000000, 0.0002777900000000, 0.0000715800000000 ] - [ 0.0000262100000000, 0.0002351700000000, 0.0000395100000000 ] - [ 0.0000394100000000, -0.0001755200000000, 0.0001288100000000 ] - [ 0.0000400900000000, -0.0002091500000000, 0.0001117100000000 ] - [ -0.0174873500000000, -0.0031820900000000, 0.0045839000000000 ] - [ 0.0018023800000000, -0.0028007000000000, 0.0003731500000000 ] - [ -0.0011884700000000, -0.0074692500000000, -0.0043668800000000 ] - [ 0.0027871700000000, -0.0062180700000000, -0.0111419700000000 ] - [ -0.0013432600000000, -0.0000140600000000, -0.0004742500000000 ] - [ 0.0005789400000000, 0.0004198600000000, 0.0002036200000000 ] - [ -0.0000844100000000, 0.0001834000000000, 0.0001241200000000 ] - [ -0.0000827900000000, 0.0001920300000000, 0.0001211000000000 ] - [ -0.0000820600000000, -0.0002648100000000, 0.0000744200000000 ] - [ -0.0000782400000000, -0.0002693700000000, 0.0000741400000000 ] - [ -0.0003139400000000, -0.0004897700000000, 0.0001508300000000 ] - [ -0.0003214900000000, -0.0005677800000000, 0.0001170600000000 ] - [ 0.0000315800000000, 0.0003684500000000, -0.0000760500000000 ] - [ 0.0003097600000000, 0.0003654000000000, -0.0000079300000000 ] - [ -0.0024450300000000, -0.0020435400000000, 0.0009487200000000 ] - [ 0.0125190200000000, 0.0005204800000000, 0.0037240900000000 ] - [ -0.0001821300000000, -0.0006094000000000, 0.0000923400000000 ] - [ 0.0012591500000000, -0.0007042700000000, 0.0005407700000000 ] - [ -0.0000816700000000, 0.0002663800000000, 0.0000730400000000 ] - [ -0.0000764700000000, 0.0002591100000000, 0.0000656200000000 ] - [ -0.0003522800000000, -0.0000456500000000, 0.0018192000000000 ] - [ 0.0007127000000000, -0.0003427900000000, 0.0011148200000000 ] - [ -0.0002340600000000, -0.0002257600000000, -0.0000023400000000 ] - [ -0.0001862200000000, -0.0005549200000000, -0.0001150600000000 ] - [ 0.0003333800000000, 0.0014164500000000, -0.0020614600000000 ] - [ 0.0002311100000000, -0.0013929900000000, 0.0005698900000000 ] - [ -0.0000211500000000, -0.0004487100000000, -0.0001265200000000 ] - [ 0.0002899100000000, -0.0004364000000000, -0.0000126800000000 ] - [ -0.0003172000000000, 0.0004842400000000, 0.0001549200000000 ] - [ -0.0003178600000000, 0.0005541100000000, 0.0001222000000000 ] - [ -0.0002653400000000, 0.0002308300000000, 0.0000320300000000 ] - [ -0.0001997600000000, 0.0005733700000000, -0.0000982500000000 ] - [ -0.0003058300000000, -0.0007909800000000, -0.0003048500000000 ] - [ 0.0002440300000000, 0.0020431200000000, 0.0013905600000000 ] - [ -0.0000818000000000, 0.0000264700000000, -0.0008503000000000 ] - [ 0.0003812700000000, -0.0004973900000000, -0.0003471500000000 ] - [ -0.0000556000000000, -0.0006246400000000, 0.0002623000000000 ] - [ -0.0000660400000000, -0.0006134200000000, 0.0002511000000000 ] - [ -0.0000848700000000, -0.0001803500000000, 0.0001270300000000 ] - [ -0.0000834200000000, -0.0001866300000000, 0.0001259000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004155300000000, 0.0000403300000000, -0.0000443400000000 ] - [ -0.0005416300000000, 0.0000635000000000, -0.0000607400000000 ] - [ -0.0090735400000000, 0.0058482700000000, -0.0051377600000000 ] - [ -0.0005151500000000, -0.0133205100000000, 0.0022744800000000 ] - [ -0.0004206100000000, -0.0000027900000000, -0.0000602000000000 ] - [ -0.0004228000000000, -0.0001261000000000, -0.0000712200000000 ] - [ 0.0021653900000000, -0.0145931400000000, 0.0025080700000000 ] - [ -0.0024981500000000, 0.0587837200000000, -0.0334967500000000 ] - [ -0.0076318900000000, 0.0004532400000000, -0.0009725900000000 ] - [ 0.0007447600000000, -0.0014146800000000, 0.0000733400000000 ] - [ 0.0002628800000000, 0.0000645800000000, -0.0000378700000000 ] - [ 0.0002726400000000, 0.0000680200000000, -0.0000385400000000 ] - [ -0.0018969600000000, -0.0010937200000000, 0.0002959700000000 ] - [ 0.0051118000000000, 0.0003994700000000, 0.0000382100000000 ] - [ 0.0002634900000000, -0.0000569200000000, -0.0000366000000000 ] - [ 0.0002800900000000, -0.0000746900000000, -0.0000395800000000 ] - [ 0.0049949800000000, -0.0055841600000000, 0.0004634200000000 ] - [ -0.0014769600000000, 0.0029831800000000, 0.0038677300000000 ] - [ 0.0041718100000000, 0.0027541200000000, -0.0050554500000000 ] - [ -0.0032550400000000, -0.0048736200000000, -0.0015040600000000 ] - [ -0.0000642500000000, -0.0005797300000000, 0.0001427500000000 ] - [ -0.0016290000000000, 0.0012466900000000, -0.0004473800000000 ] - [ 0.0003164000000000, 0.0007824800000000, -0.0002943900000000 ] - [ -0.0009089100000000, -0.0014043500000000, -0.0007408200000000 ] - [ 0.0003749700000000, -0.0001305700000000, -0.0003151300000000 ] - [ 0.0005132500000000, -0.0003787900000000, -0.0003499200000000 ] - [ 0.0004011000000000, 0.0001216800000000, -0.0003134600000000 ] - [ 0.0005332600000000, 0.0003652700000000, -0.0003393400000000 ] - [ -0.0008062400000000, 0.0005913600000000, -0.0005640900000000 ] - [ -0.0002961200000000, -0.0000735900000000, -0.0003278500000000 ] - [ -0.0008370200000000, -0.0006703400000000, -0.0003264700000000 ] - [ -0.0002533000000000, -0.0000108900000000, -0.0001884500000000 ] - [ -0.0023485900000000, 0.0047683800000000, -0.0029406800000000 ] - [ 0.0019202900000000, -0.0032771100000000, -0.0003509200000000 ] - [ -0.0000364300000000, -0.0001541000000000, -0.0000305000000000 ] - [ -0.0000435500000000, -0.0001700900000000, -0.0000317600000000 ] - [ -0.0000302000000000, 0.0001625700000000, -0.0000330500000000 ] - [ -0.0000450700000000, 0.0001603800000000, -0.0000333000000000 ] - [ -0.0022470500000000, -0.0039453100000000, -0.0006886500000000 ] - [ -0.0009082700000000, 0.0061244100000000, 0.0024269400000000 ] - [ 0.0003907800000000, 0.0008512600000000, -0.0000298500000000 ] - [ 0.0003620700000000, 0.0002907400000000, 0.0002313000000000 ] - [ 0.0088350500000000, 0.0234857700000000, -0.0220643000000000 ] - [ -0.0040457000000000, 0.0126147400000000, -0.0159361600000000 ] - [ 0.0048962800000000, -0.1030691600000000, 0.1303378400000000 ] - [ 0.0000421600000000, 0.0068586600000000, -0.0041155800000000 ] - [ -0.0019534900000000, 0.0002595400000000, -0.0002257900000000 ] - [ 0.0159852300000000, 0.0060120100000000, -0.0039215000000000 ] - [ -0.0006448100000000, 0.0023609800000000, -0.0015013200000000 ] - [ 0.0004652700000000, -0.0011043000000000, -0.0001564600000000 ] - [ 0.0000607600000000, 0.0006077100000000, 0.0002512100000000 ] - [ 0.0000382700000000, 0.0006311200000000, 0.0002668700000000 ] - [ 0.0003387900000000, -0.0007892000000000, 0.0000608700000000 ] - [ 0.0001523700000000, -0.0001634500000000, 0.0002944200000000 ] - [ -0.0002636600000000, 0.0059036200000000, 0.0029699200000000 ] - [ 0.0002281000000000, -0.0212303200000000, -0.0528323900000000 ] - [ 0.0000789800000000, 0.0001955700000000, 0.0001265300000000 ] - [ 0.0000989700000000, 0.0001607600000000, 0.0001462500000000 ] - [ -0.0011805300000000, -0.0004614500000000, 0.0008007500000000 ] - [ 0.0010156000000000, -0.0000803500000000, 0.0000680800000000 ] - [ 0.0000643100000000, -0.0002802900000000, 0.0000575600000000 ] - [ 0.0000919400000000, -0.0002448100000000, 0.0000591000000000 ] - [ 0.0000353400000000, -0.0018708300000000, -0.0000660500000000 ] - [ 0.0007491700000000, 0.0016677200000000, 0.0013736700000000 ] - [ -0.0149243800000000, 0.0116333800000000, -0.0029029900000000 ] - [ 0.0009026800000000, 0.0011793000000000, -0.0002681400000000 ] - [ -0.0013765900000000, 0.0003084600000000, -0.0005613400000000 ] - [ 0.0010286400000000, 0.0006350600000000, -0.0008008200000000 ] - [ 0.0000816400000000, 0.0002541600000000, 0.0000744600000000 ] - [ 0.0000958900000000, 0.0002933400000000, 0.0001046900000000 ] - [ 0.0000910100000000, -0.0002021700000000, 0.0001122100000000 ] - [ 0.0000898000000000, -0.0001731200000000, 0.0001270500000000 ] - [ 0.0172939100000000, 0.0019425300000000, -0.0040986800000000 ] - [ -0.0018009000000000, 0.0015496800000000, 0.0001361500000000 ] - [ 0.0010416900000000, 0.0070583400000000, 0.0045381600000000 ] - [ -0.0029162700000000, 0.0056935000000000, 0.0114738300000000 ] - [ 0.0018473900000000, 0.0010279000000000, 0.0007208500000000 ] - [ -0.0000604300000000, 0.0005953300000000, 0.0000474000000000 ] - [ -0.0000429000000000, 0.0001978400000000, 0.0001141800000000 ] - [ -0.0000440800000000, 0.0001917600000000, 0.0001156900000000 ] - [ -0.0000371400000000, -0.0002644100000000, 0.0000710600000000 ] - [ -0.0000413400000000, -0.0002573300000000, 0.0000707600000000 ] - [ -0.0001994000000000, -0.0005243600000000, 0.0001001600000000 ] - [ -0.0001882600000000, -0.0004473300000000, 0.0001324600000000 ] - [ 0.0003457300000000, 0.0004263000000000, -0.0000191800000000 ] - [ 0.0000698200000000, 0.0004302400000000, -0.0000868900000000 ] - [ 0.0024044200000000, 0.0032530800000000, -0.0004353400000000 ] - [ -0.0124925300000000, 0.0007196100000000, -0.0031327900000000 ] - [ 0.0007034600000000, -0.0004101000000000, 0.0001584100000000 ] - [ -0.0007319300000000, -0.0003159000000000, -0.0002877800000000 ] - [ -0.0000376700000000, 0.0002552100000000, 0.0000666900000000 ] - [ -0.0000431400000000, 0.0002620400000000, 0.0000744100000000 ] - [ 0.0004911100000000, 0.0004311200000000, -0.0015502200000000 ] - [ -0.0005744900000000, 0.0007072300000000, -0.0008604600000000 ] - [ -0.0001403300000000, -0.0005727500000000, -0.0000921500000000 ] - [ -0.0001910400000000, -0.0002432800000000, 0.0000183100000000 ] - [ -0.0002069500000000, -0.0019297700000000, 0.0021872000000000 ] - [ -0.0001118600000000, 0.0008570800000000, -0.0004243400000000 ] - [ 0.0003992600000000, -0.0003463800000000, 0.0000322000000000 ] - [ 0.0000895400000000, -0.0003584600000000, -0.0000807600000000 ] - [ -0.0001995400000000, 0.0005309300000000, 0.0000944900000000 ] - [ -0.0001961600000000, 0.0004616200000000, 0.0001266200000000 ] - [ -0.0001133800000000, 0.0005643200000000, -0.0001280600000000 ] - [ -0.0001749400000000, 0.0002250900000000, 0.0000015000000000 ] - [ 0.0004209700000000, 0.0013121400000000, 0.0004484000000000 ] - [ -0.0001218800000000, -0.0014987200000000, -0.0012355800000000 ] - [ 0.0002122400000000, -0.0003971000000000, 0.0010827500000000 ] - [ -0.0002486000000000, 0.0001094600000000, 0.0005882200000000 ] - [ 0.0000599400000000, -0.0006107100000000, 0.0002448300000000 ] - [ 0.0000677000000000, -0.0006207000000000, 0.0002563400000000 ] - [ -0.0000421100000000, -0.0001963600000000, 0.0001145200000000 ] - [ -0.0000447000000000, -0.0001895700000000, 0.0001174900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0086488900000000, -0.0035000700000000, -0.0012372200000000 ] - [ 0.0008310900000000, 0.0036887600000000, 0.0001002100000000 ] - [ -0.0047382400000000, 0.0025954400000000, 0.0006049400000000 ] - [ -0.0042393500000000, -0.0012799700000000, 0.0002705400000000 ] - [ 0.0012824200000000, -0.0029831900000000, 0.0002548600000000 ] - [ -0.0077765800000000, 0.0030497200000000, -0.0002979300000000 ] - [ -0.0051654900000000, -0.0006652200000000, 0.0006749400000000 ] - [ -0.0000556600000000, -0.0002847900000000, 0.0002043400000000 ] - [ -0.0037200700000000, 0.0000065700000000, -0.0004002200000000 ] - [ -0.0037333700000000, -0.0002647700000000, -0.0004189600000000 ] - [ -0.0033400800000000, -0.0000137600000000, 0.0003539300000000 ] - [ -0.0024808800000000, 0.0005110000000000, 0.0002873700000000 ] - [ -0.0038389000000000, 0.0001496700000000, -0.0004120400000000 ] - [ -0.0033967200000000, 0.0000647400000000, -0.0003893200000000 ] - [ -0.0024150600000000, -0.0004033100000000, 0.0002682300000000 ] - [ -0.0035611600000000, -0.0001307500000000, 0.0003569100000000 ] - [ 0.0284729500000000, -0.0036124400000000, 0.0075695100000000 ] - [ 0.0050741100000000, -0.0010779200000000, -0.0004505700000000 ] - [ 0.0049442500000000, 0.0030232600000000, -0.0009497500000000 ] - [ 0.0133929200000000, -0.0049263100000000, 0.0041744900000000 ] - [ 0.0281920700000000, 0.0034435500000000, 0.0020969900000000 ] - [ 0.0029987200000000, 0.0010491600000000, -0.0000766000000000 ] - [ 0.0037814800000000, 0.0008070000000000, -0.0002264800000000 ] - [ 0.0423216000000000, -0.0168374300000000, -0.0176119300000000 ] - [ -0.0014825100000000, 0.0001585800000000, -0.0000937200000000 ] - [ -0.0015984100000000, 0.0002368000000000, -0.0000371200000000 ] - [ -0.0015880500000000, -0.0002722900000000, -0.0000562000000000 ] - [ -0.0014850600000000, -0.0001299800000000, -0.0000823400000000 ] - [ -0.0025504700000000, 0.0007278200000000, -0.0005970000000000 ] - [ -0.0025724700000000, 0.0007183700000000, -0.0006222300000000 ] - [ -0.0025891000000000, -0.0007450700000000, -0.0006238800000000 ] - [ -0.0025316900000000, -0.0007067500000000, -0.0005855900000000 ] - [ -0.0012991100000000, 0.0004887200000000, -0.0000051800000000 ] - [ -0.0014133700000000, -0.0000971800000000, -0.0000240100000000 ] - [ -0.0009700100000000, -0.0006803400000000, -0.0000450200000000 ] - [ -0.0017174300000000, 0.0003529400000000, 0.0000566300000000 ] - [ -0.0016389800000000, -0.0004596500000000, -0.0000791900000000 ] - [ -0.0010684800000000, 0.0008446000000000, -0.0000529800000000 ] - [ -0.0016465200000000, -0.0001746400000000, -0.0000397700000000 ] - [ -0.0011589500000000, -0.0001872600000000, -0.0000447500000000 ] - [ 0.0088078700000000, 0.0011907500000000, 0.0022133800000000 ] - [ -0.0027267600000000, -0.0013255600000000, -0.0004044000000000 ] - [ 0.0009482800000000, 0.0000404500000000, 0.0000487100000000 ] - [ 0.0007412100000000, 0.0011252500000000, -0.0006625800000000 ] - [ 0.0003280900000000, -0.0008871500000000, 0.0009102100000000 ] - [ 0.0005953900000000, 0.0005875300000000, -0.0002046200000000 ] - [ 0.0045065800000000, -0.0046684100000000, -0.0011215800000000 ] - [ -0.0010413200000000, 0.0019254700000000, 0.0017949300000000 ] - [ -0.0936177600000000, 0.0357205700000000, -0.0057893900000000 ] - [ -0.0019165300000000, -0.0001202800000000, -0.0002921200000000 ] - [ 0.0010257100000000, 0.0009940900000000, 0.0003197100000000 ] - [ 0.0038246800000000, 0.0001791200000000, 0.0000428300000000 ] - [ -0.0028128600000000, 0.0007237200000000, -0.0005279000000000 ] - [ 0.0141593300000000, -0.0062711300000000, 0.0051896000000000 ] - [ 0.0010472700000000, 0.0007633700000000, 0.0002197100000000 ] - [ 0.0002295700000000, -0.0008009300000000, -0.0004847300000000 ] - [ 0.0019891000000000, -0.0001920500000000, 0.0005579800000000 ] - [ 0.0000776200000000, 0.0000512100000000, 0.0002499900000000 ] - [ -0.0138900200000000, 0.0005299900000000, 0.0067048500000000 ] - [ -0.0113929300000000, -0.0002357700000000, -0.0053489200000000 ] - [ 0.0013146500000000, 0.0020906700000000, -0.0011251400000000 ] - [ 0.0006116800000000, -0.0028094000000000, 0.0012971600000000 ] - [ -0.0020541400000000, -0.0012233100000000, -0.0003687800000000 ] - [ -0.0086366400000000, -0.0001252400000000, 0.0001798800000000 ] - [ 0.0037193900000000, -0.0087875900000000, 0.0025698900000000 ] - [ 0.0027005200000000, 0.0024169400000000, -0.0031835400000000 ] - [ -0.0062615100000000, -0.0008813800000000, 0.0001507400000000 ] - [ -0.0062745400000000, -0.0007858900000000, 0.0005262800000000 ] - [ 0.0001868100000000, 0.0027419500000000, 0.0012808100000000 ] - [ 0.0014860900000000, -0.0023067100000000, -0.0009264400000000 ] - [ 0.0000688000000000, -0.0003851800000000, 0.0000563100000000 ] - [ 0.0014029500000000, 0.0000721600000000, 0.0004005100000000 ] - [ 0.0022221700000000, -0.0009203100000000, 0.0003536300000000 ] - [ 0.0022691800000000, -0.0004413200000000, 0.0002373600000000 ] - [ 0.0011028900000000, -0.0008216400000000, -0.0003762500000000 ] - [ 0.0004910300000000, 0.0004599800000000, 0.0004874300000000 ] - [ 0.0024470900000000, 0.0011220300000000, 0.0005844000000000 ] - [ 0.0024845600000000, 0.0011535300000000, 0.0006018000000000 ] - [ 0.0008551400000000, 0.0004224700000000, -0.0001325100000000 ] - [ 0.0006811600000000, 0.0003407500000000, -0.0000824400000000 ] - [ 0.0007511500000000, 0.0001023100000000, -0.0000863700000000 ] - [ 0.0006571700000000, -0.0004038500000000, 0.0001904400000000 ] - [ 0.0017758900000000, 0.0000692900000000, -0.0002642600000000 ] - [ 0.0021143600000000, 0.0001309200000000, -0.0004066500000000 ] - [ 0.0013680200000000, 0.0002995900000000, 0.0000893200000000 ] - [ 0.0013675000000000, 0.0002532500000000, 0.0001094900000000 ] - [ 0.0024393800000000, 0.0006068300000000, 0.0002616800000000 ] - [ 0.0014658700000000, 0.0006038500000000, 0.0002202900000000 ] - [ 0.0025155000000000, -0.0011483300000000, 0.0006084600000000 ] - [ 0.0023734600000000, -0.0011102300000000, 0.0005518000000000 ] - [ 0.0006251100000000, 0.0003988300000000, 0.0001700600000000 ] - [ 0.0007993500000000, -0.0001429500000000, -0.0001402000000000 ] - [ 0.0009204700000000, -0.0000589600000000, 0.0003480900000000 ] - [ 0.0008709600000000, 0.0000976700000000, 0.0003053800000000 ] - [ 0.0009767200000000, -0.0005326500000000, -0.0001874500000000 ] - [ 0.0010290700000000, -0.0005063200000000, -0.0002028100000000 ] - [ 0.0008205000000000, -0.0004346300000000, 0.0001460800000000 ] - [ 0.0008371400000000, -0.0003305600000000, 0.0000824700000000 ] - [ 0.0013769800000000, -0.0002509000000000, 0.0001156700000000 ] - [ 0.0013607900000000, -0.0003016700000000, 0.0000840400000000 ] - [ 0.0020321400000000, -0.0000973300000000, -0.0003676900000000 ] - [ 0.0018152500000000, -0.0000951400000000, -0.0002749900000000 ] - [ 0.0010310600000000, 0.0005324100000000, -0.0002033800000000 ] - [ 0.0009736800000000, 0.0005128100000000, -0.0001875900000000 ] - [ 0.0008700400000000, 0.0004217900000000, 0.0001177900000000 ] - [ 0.0007793900000000, 0.0002943300000000, 0.0000692200000000 ] - [ 0.0009109700000000, -0.0000793700000000, 0.0003412100000000 ] - [ 0.0008850900000000, 0.0000802400000000, 0.0003629000000000 ] - [ 0.0030420000000000, -0.0002772900000000, 0.0002356100000000 ] - [ 0.0011365300000000, -0.0010402800000000, 0.0003234200000000 ] - [ 0.0006715400000000, -0.0004119600000000, -0.0000906400000000 ] - [ 0.0008365600000000, -0.0003280600000000, -0.0000820500000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0079204400000000, 0.0036079300000000, 0.0011454600000000 ] - [ -0.0015620100000000, -0.0035632000000000, -0.0001989300000000 ] - [ 0.0054518000000000, -0.0024879500000000, -0.0006931400000000 ] - [ 0.0049660000000000, 0.0014084100000000, -0.0003542500000000 ] - [ -0.0020106800000000, 0.0028689200000000, -0.0003451400000000 ] - [ 0.0069958600000000, -0.0031507000000000, 0.0002114300000000 ] - [ 0.0059263500000000, 0.0005527200000000, -0.0007743300000000 ] - [ 0.0007683400000000, 0.0001641200000000, -0.0002900500000000 ] - [ 0.0029833900000000, 0.0001103500000000, 0.0003078000000000 ] - [ 0.0029962800000000, 0.0003860200000000, 0.0003268200000000 ] - [ 0.0040731900000000, 0.0001298200000000, -0.0004442800000000 ] - [ 0.0032122000000000, -0.0003921500000000, -0.0003765300000000 ] - [ 0.0031010500000000, -0.0002684000000000, 0.0003208500000000 ] - [ 0.0026568000000000, -0.0001833000000000, 0.0002978500000000 ] - [ 0.0031478700000000, 0.0002859700000000, -0.0003573500000000 ] - [ 0.0042879900000000, 0.0000110400000000, -0.0004459800000000 ] - [ -0.0278241100000000, 0.0036788900000000, -0.0086914700000000 ] - [ -0.0040749800000000, 0.0005480900000000, -0.0002501500000000 ] - [ -0.0039432800000000, -0.0025144300000000, 0.0002954100000000 ] - [ -0.0125309100000000, 0.0052806200000000, -0.0047144700000000 ] - [ -0.0288265400000000, -0.0025074100000000, -0.0021968300000000 ] - [ -0.0039978100000000, -0.0005267000000000, -0.0005775900000000 ] - [ -0.0047784300000000, -0.0013203900000000, -0.0004696700000000 ] - [ -0.0426350500000000, 0.0153377500000000, 0.0160578200000000 ] - [ 0.0024931400000000, -0.0006814900000000, -0.0005819000000000 ] - [ 0.0026077200000000, -0.0007593800000000, -0.0006380400000000 ] - [ 0.0025978400000000, 0.0007938900000000, -0.0006196000000000 ] - [ 0.0024951300000000, 0.0006527300000000, -0.0005931100000000 ] - [ 0.0015377800000000, -0.0002049300000000, -0.0000789800000000 ] - [ 0.0015603500000000, -0.0001947100000000, -0.0000537800000000 ] - [ 0.0015769800000000, 0.0002221100000000, -0.0000521500000000 ] - [ 0.0015188400000000, 0.0001830700000000, -0.0000913000000000 ] - [ 0.0012981000000000, -0.0001662200000000, -0.0000637600000000 ] - [ 0.0014101800000000, 0.0004256500000000, -0.0000454400000000 ] - [ 0.0009709000000000, 0.0003549500000000, -0.0000213700000000 ] - [ 0.0017149900000000, -0.0006790500000000, -0.0001254600000000 ] - [ 0.0016389500000000, 0.0007832100000000, 0.0000095300000000 ] - [ 0.0010659300000000, -0.0005150200000000, -0.0000164100000000 ] - [ 0.0016471200000000, -0.0001524000000000, -0.0000290200000000 ] - [ 0.0011550000000000, -0.0001400400000000, -0.0000230400000000 ] - [ -0.0082228400000000, -0.0001406400000000, -0.0020346900000000 ] - [ 0.0032556800000000, 0.0023511700000000, 0.0006638900000000 ] - [ -0.0010654600000000, 0.0003457000000000, 0.0001842200000000 ] - [ -0.0008562600000000, -0.0007414100000000, 0.0008987300000000 ] - [ -0.0004422200000000, 0.0003785800000000, -0.0007713500000000 ] - [ -0.0007046600000000, -0.0011078600000000, 0.0003479900000000 ] - [ -0.0051105200000000, 0.0037119900000000, 0.0014039100000000 ] - [ 0.0005215200000000, -0.0029396100000000, -0.0015347700000000 ] - [ 0.0932200000000000, -0.0347507100000000, 0.0062389200000000 ] - [ 0.0022849300000000, 0.0009195400000000, 0.0001955000000000 ] - [ -0.0010292700000000, 0.0002424500000000, 0.0001913100000000 ] - [ -0.0038060600000000, 0.0010545700000000, 0.0004650800000000 ] - [ 0.0033411700000000, -0.0017548900000000, 0.0007881200000000 ] - [ -0.0133692800000000, 0.0050838300000000, -0.0047776300000000 ] - [ -0.0011644500000000, -0.0002523200000000, -0.0000836400000000 ] - [ -0.0003436600000000, 0.0013202400000000, 0.0006326100000000 ] - [ -0.0018638400000000, 0.0005804600000000, -0.0003247600000000 ] - [ 0.0000412700000000, 0.0003307600000000, -0.0000128900000000 ] - [ 0.0135327600000000, -0.0012807100000000, -0.0068209700000000 ] - [ 0.0110318700000000, -0.0005945700000000, 0.0052601300000000 ] - [ -0.0012039800000000, -0.0026032500000000, 0.0012588300000000 ] - [ -0.0004900100000000, 0.0022788200000000, -0.0011441000000000 ] - [ 0.0024232900000000, 0.0004306400000000, 0.0002772700000000 ] - [ 0.0090059700000000, -0.0006542500000000, -0.0002759500000000 ] - [ -0.0042554600000000, 0.0098274500000000, -0.0023095500000000 ] - [ -0.0032401300000000, -0.0013971800000000, 0.0034222700000000 ] - [ 0.0059077400000000, 0.0015947900000000, -0.0002276700000000 ] - [ 0.0058943200000000, 0.0016610000000000, -0.0006080600000000 ] - [ -0.0000742200000000, -0.0022235800000000, -0.0011334600000000 ] - [ -0.0013731600000000, 0.0028186900000000, 0.0010623800000000 ] - [ 0.0000504100000000, -0.0000005900000000, 0.0001794200000000 ] - [ -0.0012812500000000, -0.0004525700000000, -0.0001617900000000 ] - [ -0.0022200700000000, -0.0003143700000000, 0.0001566100000000 ] - [ -0.0022665000000000, -0.0007962200000000, 0.0002734200000000 ] - [ -0.0012280000000000, 0.0004432500000000, 0.0006190800000000 ] - [ -0.0006088500000000, -0.0008511800000000, -0.0002589600000000 ] - [ -0.0019194400000000, -0.0000892500000000, -0.0003238000000000 ] - [ -0.0019543300000000, -0.0001215300000000, -0.0003408700000000 ] - [ -0.0009750300000000, -0.0000368600000000, 0.0003671900000000 ] - [ -0.0007999600000000, 0.0000448800000000, 0.0003157700000000 ] - [ -0.0008681600000000, -0.0006164900000000, 0.0002306900000000 ] - [ -0.0007741500000000, -0.0001103900000000, -0.0000461800000000 ] - [ -0.0023071400000000, -0.0010982900000000, 0.0005265800000000 ] - [ -0.0026405800000000, -0.0011600100000000, 0.0006669400000000 ] - [ -0.0009960000000000, 0.0004967100000000, -0.0001847900000000 ] - [ -0.0009957900000000, 0.0005426500000000, -0.0002039900000000 ] - [ -0.0024464200000000, 0.0006307000000000, 0.0002484600000000 ] - [ -0.0014608000000000, 0.0006332000000000, 0.0002908700000000 ] - [ -0.0019778100000000, 0.0001143800000000, -0.0003464400000000 ] - [ -0.0018413600000000, 0.0000770800000000, -0.0002898400000000 ] - [ -0.0007425700000000, 0.0001130100000000, -0.0000285300000000 ] - [ -0.0009155900000000, 0.0006525000000000, 0.0002810100000000 ] - [ -0.0007997900000000, 0.0004404000000000, -0.0001093400000000 ] - [ -0.0007494600000000, 0.0002830100000000, -0.0000662100000000 ] - [ -0.0013451600000000, -0.0002644700000000, 0.0000945300000000 ] - [ -0.0014000700000000, -0.0002909300000000, 0.0001076400000000 ] - [ -0.0007046500000000, -0.0000768500000000, -0.0000042400000000 ] - [ -0.0007208400000000, -0.0001834200000000, 0.0000596500000000 ] - [ -0.0010046800000000, -0.0005444800000000, -0.0002099300000000 ] - [ -0.0009897700000000, -0.0004957700000000, -0.0001780700000000 ] - [ -0.0025638100000000, 0.0011273100000000, 0.0006285600000000 ] - [ -0.0023411700000000, 0.0011234100000000, 0.0005352900000000 ] - [ -0.0014026300000000, 0.0002634500000000, 0.0001080500000000 ] - [ -0.0013429500000000, 0.0002850700000000, 0.0000920700000000 ] - [ -0.0007538100000000, 0.0000927600000000, 0.0000269300000000 ] - [ -0.0006631500000000, 0.0002227600000000, 0.0000761000000000 ] - [ -0.0007907900000000, -0.0003048100000000, -0.0001058300000000 ] - [ -0.0007652200000000, -0.0004655500000000, -0.0001275600000000 ] - [ -0.0030432800000000, -0.0009582600000000, 0.0002742500000000 ] - [ -0.0011393400000000, -0.0001978700000000, 0.0001887600000000 ] - [ -0.0007906500000000, 0.0000277900000000, 0.0003267000000000 ] - [ -0.0009571600000000, -0.0000522400000000, 0.0003207100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0072064200000000, 0.0021696800000000, -0.0010397100000000 ] - [ 0.0013503600000000, -0.0038234900000000, -0.0004159000000000 ] - [ 0.0078812600000000, -0.0045307300000000, -0.0008689700000000 ] - [ -0.0078460600000000, 0.0048405100000000, 0.0008415500000000 ] - [ -0.0018809700000000, -0.0031884500000000, 0.0001610900000000 ] - [ 0.0056419100000000, 0.0025166900000000, 0.0001953000000000 ] - [ 0.0064184100000000, 0.0046369100000000, -0.0004211400000000 ] - [ -0.0043114300000000, -0.0046553500000000, 0.0003452100000000 ] - [ 0.0006518900000000, -0.0001110100000000, 0.0000312200000000 ] - [ -0.0007631000000000, 0.0002445800000000, -0.0000644000000000 ] - [ 0.0000103900000000, 0.0004582500000000, -0.0000121600000000 ] - [ 0.0010767100000000, -0.0003289900000000, -0.0000825500000000 ] - [ 0.0005074000000000, 0.0002437000000000, 0.0000293100000000 ] - [ -0.0005242400000000, -0.0003998900000000, -0.0000245800000000 ] - [ 0.0003449000000000, -0.0004289500000000, -0.0000801100000000 ] - [ 0.0013885300000000, 0.0004244500000000, -0.0001438500000000 ] - [ -0.0142084200000000, 0.0164876600000000, -0.0118238100000000 ] - [ -0.0029073700000000, -0.0079881900000000, -0.0020449200000000 ] - [ 0.0016423300000000, -0.0062954700000000, -0.0023981400000000 ] - [ -0.0026153900000000, 0.0021346800000000, 0.0101704500000000 ] - [ 0.0067549900000000, 0.0217043700000000, -0.0030897400000000 ] - [ 0.0015403300000000, -0.0075389800000000, 0.0012263600000000 ] - [ -0.0038371400000000, -0.0086416200000000, 0.0016096900000000 ] - [ -0.0194848900000000, 0.0311271100000000, 0.0140131300000000 ] - [ 0.0007038800000000, -0.0003978900000000, -0.0003271900000000 ] - [ 0.0007353200000000, -0.0002085400000000, -0.0004283700000000 ] - [ 0.0006917500000000, 0.0004069100000000, -0.0003011100000000 ] - [ 0.0007347200000000, 0.0002215800000000, -0.0004054000000000 ] - [ -0.0002315800000000, 0.0001487000000000, -0.0002854700000000 ] - [ -0.0003471700000000, 0.0002734600000000, -0.0003448800000000 ] - [ -0.0002440100000000, -0.0001282200000000, -0.0002964800000000 ] - [ -0.0003376600000000, -0.0002972000000000, -0.0003171500000000 ] - [ 0.0005929300000000, -0.0005030900000000, -0.0000532200000000 ] - [ -0.0003286700000000, 0.0008817800000000, -0.0000310500000000 ] - [ -0.0002765700000000, -0.0007809100000000, -0.0000605800000000 ] - [ 0.0006484700000000, 0.0005246000000000, -0.0000713500000000 ] - [ -0.0003690300000000, 0.0007176600000000, -0.0000397800000000 ] - [ 0.0005859100000000, -0.0004666800000000, 0.0000252700000000 ] - [ 0.0006013200000000, 0.0006839200000000, -0.0000419400000000 ] - [ -0.0002518800000000, -0.0010131700000000, -0.0000275900000000 ] - [ 0.0079767800000000, -0.0043305500000000, 0.0064118900000000 ] - [ 0.0000275000000000, 0.0034579800000000, -0.0009368900000000 ] - [ -0.0011544300000000, -0.0001524400000000, 0.0004712300000000 ] - [ 0.0011549100000000, 0.0009741800000000, -0.0005060300000000 ] - [ -0.0005568900000000, 0.0026630500000000, -0.0019003000000000 ] - [ 0.0004345700000000, -0.0036473200000000, 0.0015797300000000 ] - [ -0.0074201000000000, 0.0005653400000000, 0.0017200700000000 ] - [ 0.0047236200000000, 0.0039921600000000, 0.0009097000000000 ] - [ 0.0352463800000000, -0.0988613800000000, -0.0104171900000000 ] - [ -0.0003340600000000, 0.0076441300000000, -0.0002898800000000 ] - [ 0.0004340200000000, 0.0008397900000000, 0.0002182000000000 ] - [ -0.0019983000000000, 0.0003454300000000, 0.0004485700000000 ] - [ 0.0007539200000000, 0.0018088800000000, 0.0009209900000000 ] - [ -0.0105504600000000, -0.0012801500000000, -0.0035446000000000 ] - [ -0.0009030000000000, -0.0036600500000000, -0.0014067800000000 ] - [ 0.0001806600000000, 0.0035112700000000, 0.0021427500000000 ] - [ 0.0007613800000000, -0.0026402100000000, 0.0021467500000000 ] - [ -0.0001421500000000, 0.0017196400000000, -0.0008506800000000 ] - [ 0.0007313000000000, 0.0019460600000000, -0.0010104400000000 ] - [ -0.0000036500000000, 0.0032230700000000, 0.0003758600000000 ] - [ 0.0015562800000000, 0.0007845200000000, 0.0001657200000000 ] - [ -0.0007141000000000, 0.0004901200000000, -0.0001711200000000 ] - [ 0.0010118400000000, 0.0032835100000000, 0.0000888100000000 ] - [ -0.0000795900000000, -0.0120052400000000, 0.0020738000000000 ] - [ -0.0073894900000000, 0.0096856200000000, -0.0003253300000000 ] - [ 0.0082481400000000, 0.0000565700000000, -0.0057718600000000 ] - [ 0.0010409000000000, 0.0201572800000000, 0.0003359800000000 ] - [ 0.0010613900000000, 0.0197441700000000, -0.0000428300000000 ] - [ 0.0005580700000000, 0.0010088200000000, 0.0003914500000000 ] - [ -0.0020901800000000, 0.0020283200000000, 0.0000039700000000 ] - [ 0.0001462600000000, 0.0012765100000000, 0.0010369900000000 ] - [ -0.0004559900000000, -0.0026633300000000, -0.0015182400000000 ] - [ -0.0016468400000000, 0.0000039200000000, 0.0001047200000000 ] - [ 0.0014536500000000, -0.0010817100000000, 0.0003071000000000 ] - [ -0.0012294400000000, -0.0000438900000000, 0.0001939400000000 ] - [ 0.0007991400000000, 0.0000315100000000, 0.0002840100000000 ] - [ -0.0001472000000000, 0.0004195400000000, 0.0000112800000000 ] - [ 0.0002462100000000, 0.0004874100000000, 0.0001629500000000 ] - [ -0.0001461300000000, -0.0001971600000000, 0.0002706400000000 ] - [ -0.0001391300000000, 0.0004787000000000, 0.0001004200000000 ] - [ -0.0000128200000000, -0.0002040700000000, 0.0000436400000000 ] - [ -0.0002475600000000, -0.0002748000000000, 0.0000391800000000 ] - [ -0.0003540400000000, -0.0004882000000000, 0.0001398600000000 ] - [ -0.0007209700000000, -0.0006947400000000, 0.0002734600000000 ] - [ 0.0000416400000000, 0.0004125600000000, -0.0000802900000000 ] - [ 0.0000883600000000, 0.0004130500000000, -0.0000430100000000 ] - [ -0.0014098500000000, 0.0001488300000000, 0.0001588600000000 ] - [ 0.0008537100000000, 0.0012311000000000, 0.0003620300000000 ] - [ -0.0000965600000000, -0.0004433500000000, 0.0000240900000000 ] - [ 0.0001574700000000, -0.0004454700000000, 0.0001261300000000 ] - [ -0.0000321800000000, 0.0002869900000000, 0.0001080000000000 ] - [ -0.0002755900000000, 0.0003333700000000, 0.0001207800000000 ] - [ -0.0001412100000000, 0.0001528900000000, 0.0000849500000000 ] - [ 0.0000780100000000, 0.0002666200000000, 0.0000782200000000 ] - [ -0.0003223500000000, -0.0003263400000000, -0.0000265700000000 ] - [ -0.0002967800000000, -0.0004576700000000, -0.0000377800000000 ] - [ -0.0001260300000000, 0.0000760200000000, -0.0000968900000000 ] - [ 0.0000782700000000, -0.0005751000000000, 0.0002438900000000 ] - [ 0.0000397900000000, -0.0004180400000000, -0.0000799800000000 ] - [ 0.0000896200000000, -0.0003976600000000, -0.0000450500000000 ] - [ -0.0002526400000000, 0.0004513300000000, 0.0000863000000000 ] - [ -0.0006276000000000, 0.0006578000000000, 0.0002057200000000 ] - [ -0.0003233300000000, 0.0003137700000000, -0.0000237500000000 ] - [ -0.0003019700000000, 0.0004489100000000, -0.0000417100000000 ] - [ -0.0000791600000000, -0.0000683500000000, -0.0001013200000000 ] - [ 0.0000462000000000, 0.0005598700000000, 0.0002276200000000 ] - [ -0.0001263100000000, -0.0002589100000000, 0.0000705100000000 ] - [ 0.0000842000000000, -0.0001541700000000, 0.0001354600000000 ] - [ 0.0013545900000000, -0.0009251300000000, 0.0002434200000000 ] - [ -0.0008483100000000, -0.0003998800000000, 0.0003039600000000 ] - [ -0.0001697900000000, 0.0001315600000000, 0.0001924700000000 ] - [ -0.0001243300000000, -0.0005372300000000, 0.0000153700000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0065108600000000, -0.0020441500000000, 0.0009566100000000 ] - [ -0.0021030400000000, 0.0039304900000000, 0.0003237500000000 ] - [ -0.0071894300000000, 0.0046483500000000, 0.0007855900000000 ] - [ 0.0085884500000000, -0.0047232400000000, -0.0009313500000000 ] - [ 0.0011356200000000, 0.0030912700000000, -0.0002521500000000 ] - [ -0.0063536200000000, -0.0026468800000000, -0.0002762900000000 ] - [ -0.0056800400000000, -0.0047575700000000, 0.0003350800000000 ] - [ 0.0050284100000000, 0.0045470500000000, -0.0004294400000000 ] - [ -0.0013827700000000, 0.0002267500000000, -0.0001186000000000 ] - [ 0.0000354000000000, -0.0001261700000000, -0.0000223700000000 ] - [ 0.0007259500000000, -0.0003419600000000, -0.0000747400000000 ] - [ -0.0003456800000000, 0.0004443700000000, -0.0000027000000000 ] - [ -0.0012368900000000, -0.0003601500000000, -0.0001157300000000 ] - [ -0.0002062800000000, 0.0002851300000000, -0.0000621600000000 ] - [ 0.0003879900000000, 0.0003157600000000, -0.0000045400000000 ] - [ -0.0006536000000000, -0.0005416100000000, 0.0000581600000000 ] - [ 0.0144361600000000, -0.0162085200000000, 0.0104049500000000 ] - [ 0.0039379100000000, 0.0074657600000000, 0.0013940900000000 ] - [ -0.0006129200000000, 0.0068250500000000, 0.0016691200000000 ] - [ 0.0034913000000000, -0.0018753400000000, -0.0107343200000000 ] - [ -0.0074667300000000, -0.0208803600000000, 0.0028339100000000 ] - [ -0.0025588400000000, 0.0080680200000000, -0.0019408200000000 ] - [ 0.0028106000000000, 0.0081073000000000, -0.0022617000000000 ] - [ 0.0193980500000000, -0.0324340200000000, -0.0155571300000000 ] - [ 0.0003037300000000, -0.0001272700000000, -0.0003491700000000 ] - [ 0.0002720800000000, -0.0003155400000000, -0.0002489000000000 ] - [ 0.0003158500000000, 0.0001180300000000, -0.0003769500000000 ] - [ 0.0002724300000000, 0.0003033800000000, -0.0002724000000000 ] - [ -0.0007722000000000, 0.0003722500000000, -0.0003928400000000 ] - [ -0.0006561500000000, 0.0002489100000000, -0.0003327300000000 ] - [ -0.0007591100000000, -0.0003926300000000, -0.0003807300000000 ] - [ -0.0006657600000000, -0.0002235100000000, -0.0003602200000000 ] - [ -0.0005915600000000, 0.0008359700000000, -0.0000155600000000 ] - [ 0.0003306600000000, -0.0005453300000000, -0.0000389700000000 ] - [ 0.0002759100000000, 0.0004499000000000, -0.0000059900000000 ] - [ -0.0006487500000000, -0.0008613300000000, 0.0000022500000000 ] - [ 0.0003708800000000, -0.0003813400000000, -0.0000290800000000 ] - [ -0.0005875400000000, 0.0008008300000000, -0.0000944800000000 ] - [ -0.0005993400000000, -0.0010198400000000, -0.0000264100000000 ] - [ 0.0002524700000000, 0.0006800500000000, -0.0000399700000000 ] - [ -0.0074689500000000, 0.0053570300000000, -0.0061417500000000 ] - [ 0.0005301900000000, -0.0024193100000000, 0.0012024500000000 ] - [ 0.0010375600000000, 0.0005403000000000, -0.0002398400000000 ] - [ -0.0012752500000000, -0.0005956300000000, 0.0007462100000000 ] - [ 0.0004407100000000, -0.0031812200000000, 0.0020473300000000 ] - [ -0.0005534900000000, 0.0031338700000000, -0.0014368600000000 ] - [ 0.0068346100000000, -0.0015664700000000, -0.0014611800000000 ] - [ -0.0052510500000000, -0.0049922700000000, -0.0006438600000000 ] - [ -0.0352305800000000, 0.0994482700000000, 0.0113615800000000 ] - [ 0.0007020400000000, -0.0068486300000000, 0.0002011400000000 ] - [ -0.0004350200000000, 0.0003982100000000, 0.0002936400000000 ] - [ 0.0019924600000000, 0.0008970200000000, 0.0000634700000000 ] - [ -0.0001968400000000, -0.0028405000000000, -0.0006616800000000 ] - [ 0.0111093000000000, 0.0002900000000000, 0.0038083200000000 ] - [ 0.0007850000000000, 0.0041787100000000, 0.0015529800000000 ] - [ -0.0002987100000000, -0.0029971900000000, -0.0019978400000000 ] - [ -0.0006493700000000, 0.0030261200000000, -0.0019124200000000 ] - [ 0.0002635600000000, -0.0013390700000000, 0.0010889300000000 ] - [ -0.0010751900000000, -0.0027717000000000, 0.0009103100000000 ] - [ -0.0003591600000000, -0.0039791100000000, -0.0004640400000000 ] - [ -0.0014474200000000, -0.0013110800000000, -0.0000207300000000 ] - [ 0.0008339000000000, -0.0009973100000000, 0.0003095300000000 ] - [ -0.0006453900000000, -0.0040792800000000, -0.0001818800000000 ] - [ 0.0004467300000000, 0.0112762700000000, -0.0021758300000000 ] - [ 0.0068919800000000, -0.0087128900000000, 0.0006077100000000 ] - [ -0.0088063500000000, 0.0009707100000000, 0.0060403800000000 ] - [ -0.0014015500000000, -0.0189486700000000, -0.0004256100000000 ] - [ -0.0014119000000000, -0.0193631900000000, -0.0000641600000000 ] - [ -0.0004398700000000, -0.0005005000000000, -0.0002493400000000 ] - [ 0.0022075500000000, -0.0015033000000000, 0.0001453100000000 ] - [ -0.0000250300000000, -0.0016609100000000, -0.0008025600000000 ] - [ 0.0005732600000000, 0.0022791900000000, 0.0017497000000000 ] - [ 0.0016512600000000, -0.0012429300000000, 0.0004078100000000 ] - [ -0.0014576700000000, -0.0001565700000000, 0.0002053100000000 ] - [ 0.0011074200000000, -0.0003341800000000, 0.0000464100000000 ] - [ -0.0009181400000000, -0.0004215300000000, -0.0000555200000000 ] - [ 0.0006795400000000, 0.0006071300000000, 0.0002449700000000 ] - [ 0.0002864800000000, 0.0005379100000000, 0.0000932500000000 ] - [ 0.0000267700000000, 0.0005831400000000, -0.0000376800000000 ] - [ 0.0000215800000000, -0.0000910400000000, 0.0001314900000000 ] - [ -0.0001050600000000, -0.0003143900000000, 0.0001032100000000 ] - [ 0.0001300800000000, -0.0002404200000000, 0.0001055400000000 ] - [ -0.0001827700000000, -0.0005365700000000, 0.0001171400000000 ] - [ 0.0001855300000000, -0.0003306900000000, -0.0000167500000000 ] - [ 0.0003274900000000, 0.0003827900000000, -0.0000123800000000 ] - [ 0.0002817800000000, 0.0003827300000000, -0.0000500100000000 ] - [ 0.0014027100000000, 0.0010928600000000, 0.0003516500000000 ] - [ -0.0008538500000000, 0.0000075900000000, 0.0001501600000000 ] - [ 0.0006358800000000, -0.0005830600000000, 0.0002330500000000 ] - [ 0.0003788100000000, -0.0005806900000000, 0.0001302900000000 ] - [ -0.0000851900000000, 0.0002246700000000, 0.0000324200000000 ] - [ 0.0001576200000000, 0.0001792900000000, 0.0000209100000000 ] - [ 0.0002604900000000, 0.0002293100000000, 0.0001529600000000 ] - [ 0.0000411900000000, 0.0001141000000000, 0.0001600900000000 ] - [ -0.0000498700000000, -0.0004704300000000, -0.0000676400000000 ] - [ -0.0000762800000000, -0.0003377900000000, -0.0000562400000000 ] - [ 0.0002423500000000, -0.0005891800000000, 0.0002395400000000 ] - [ 0.0000377900000000, 0.0000608800000000, -0.0001016900000000 ] - [ 0.0003301700000000, -0.0003768100000000, -0.0000124200000000 ] - [ 0.0002801300000000, -0.0003969500000000, -0.0000477400000000 ] - [ -0.0002887300000000, 0.0005756700000000, 0.0001705400000000 ] - [ 0.0000896100000000, 0.0003690100000000, 0.0000500200000000 ] - [ -0.0000499700000000, 0.0004823000000000, -0.0000707500000000 ] - [ -0.0000702300000000, 0.0003481700000000, -0.0000530100000000 ] - [ 0.0001954900000000, 0.0005861900000000, 0.0002470200000000 ] - [ 0.0000699900000000, -0.0000416700000000, -0.0000824900000000 ] - [ 0.0002455700000000, -0.0001245000000000, 0.0001641600000000 ] - [ 0.0000339600000000, -0.0002312100000000, 0.0000988500000000 ] - [ -0.0013585200000000, -0.0003154400000000, 0.0002686700000000 ] - [ 0.0008520600000000, -0.0008370500000000, 0.0002078300000000 ] - [ 0.0000520100000000, -0.0005135100000000, 0.0000436000000000 ] - [ 0.0000043100000000, 0.0001575700000000, 0.0002228800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0020185700000000, 0.0010306800000000, -0.0009752200000000 ] - [ 0.0009564000000000, -0.0015179600000000, -0.0007751200000000 ] - [ -0.0060788100000000, 0.0021282300000000, 0.0006428900000000 ] - [ 0.0026100900000000, -0.0013382900000000, -0.0006516400000000 ] - [ -0.0007592300000000, -0.0023208600000000, 0.0006104300000000 ] - [ -0.0017370300000000, 0.0024716400000000, 0.0004061600000000 ] - [ 0.0008998100000000, -0.0014044900000000, 0.0000015600000000 ] - [ 0.0030779000000000, 0.0024181200000000, -0.0003645800000000 ] - [ -0.0012250100000000, 0.0000132800000000, -0.0001069200000000 ] - [ -0.0004680400000000, 0.0000456200000000, -0.0000657600000000 ] - [ -0.0002823900000000, 0.0001236900000000, 0.0000453100000000 ] - [ 0.0002692900000000, 0.0000590200000000, -0.0000030500000000 ] - [ -0.0007828700000000, -0.0002640000000000, -0.0000826600000000 ] - [ -0.0006241900000000, 0.0001620200000000, -0.0000941900000000 ] - [ -0.0000627000000000, -0.0002516700000000, -0.0000233200000000 ] - [ -0.0001437200000000, 0.0000420100000000, 0.0000004200000000 ] - [ 0.0145351000000000, -0.0053086000000000, 0.0176641500000000 ] - [ 0.0000865700000000, 0.0003058700000000, -0.0001834500000000 ] - [ 0.0016524400000000, 0.0004540900000000, -0.0007809700000000 ] - [ -0.0003245300000000, 0.0066307500000000, -0.0046403000000000 ] - [ 0.0116069500000000, 0.0074725100000000, -0.0008121300000000 ] - [ -0.0000187200000000, -0.0004604500000000, 0.0000246000000000 ] - [ 0.0002906700000000, -0.0007742300000000, -0.0003863400000000 ] - [ -0.0211230000000000, 0.0177494000000000, 0.0230455800000000 ] - [ 0.0002573400000000, -0.0002313400000000, -0.0002957200000000 ] - [ 0.0002527100000000, -0.0001775700000000, -0.0003118000000000 ] - [ 0.0002310400000000, 0.0001892000000000, -0.0002848500000000 ] - [ 0.0002837200000000, 0.0002204500000000, -0.0003210200000000 ] - [ -0.0007976000000000, 0.0003148000000000, -0.0003965500000000 ] - [ -0.0007378200000000, 0.0003205500000000, -0.0003494600000000 ] - [ -0.0007866300000000, -0.0003689200000000, -0.0003661000000000 ] - [ -0.0007433900000000, -0.0002713300000000, -0.0003747700000000 ] - [ -0.0003823200000000, 0.0003122700000000, 0.0000010000000000 ] - [ 0.0000909900000000, 0.0000021100000000, -0.0000047000000000 ] - [ -0.0002150800000000, -0.0004870700000000, -0.0001089100000000 ] - [ 0.0001490200000000, 0.0002686300000000, -0.0000438700000000 ] - [ -0.0004950900000000, 0.0002634800000000, 0.0000024200000000 ] - [ 0.0001201400000000, 0.0001183000000000, 0.0000442400000000 ] - [ -0.0003786700000000, -0.0005504200000000, -0.0000710600000000 ] - [ -0.0000826200000000, 0.0002857600000000, -0.0000414000000000 ] - [ -0.0006026600000000, -0.0035183100000000, 0.0094944000000000 ] - [ -0.0003538800000000, 0.0010389000000000, 0.0000270500000000 ] - [ 0.0004608000000000, 0.0010693100000000, -0.0008936100000000 ] - [ -0.0005409000000000, -0.0002172700000000, 0.0003331500000000 ] - [ 0.0003463300000000, -0.0018666500000000, 0.0015359800000000 ] - [ -0.0002276900000000, 0.0005298200000000, 0.0001799000000000 ] - [ -0.0039201900000000, 0.0022478400000000, -0.0005324900000000 ] - [ -0.0029544800000000, -0.0045308100000000, -0.0013130300000000 ] - [ -0.0062412100000000, -0.0105807300000000, -0.0879036500000000 ] - [ -0.0000597200000000, 0.0001530100000000, 0.0003632300000000 ] - [ 0.0003080100000000, 0.0007543700000000, 0.0001938100000000 ] - [ 0.0007985400000000, 0.0003182700000000, 0.0000044200000000 ] - [ -0.0001802200000000, 0.0002525400000000, -0.0000237500000000 ] - [ 0.0078534800000000, -0.0039939500000000, 0.0010027400000000 ] - [ 0.0004097800000000, 0.0016117900000000, 0.0000912000000000 ] - [ -0.0000095700000000, -0.0014929400000000, -0.0013544200000000 ] - [ 0.0006575200000000, -0.0006115500000000, 0.0004475800000000 ] - [ -0.0000406200000000, 0.0009400700000000, -0.0003908000000000 ] - [ -0.0069673000000000, 0.0005517000000000, 0.0031632700000000 ] - [ 0.0051332400000000, -0.0008115000000000, 0.0027002400000000 ] - [ 0.0016310900000000, 0.0007839900000000, 0.0005980300000000 ] - [ -0.0002758000000000, -0.0010020200000000, 0.0008289200000000 ] - [ -0.0001386400000000, -0.0005342600000000, -0.0001432200000000 ] - [ 0.0004149500000000, -0.0025483800000000, 0.0375815700000000 ] - [ 0.0056034000000000, -0.0087357300000000, 0.0023156700000000 ] - [ -0.0021202200000000, 0.0014322700000000, 0.0057606500000000 ] - [ -0.0007481200000000, 0.0003582700000000, -0.0044841900000000 ] - [ -0.0003770100000000, 0.0008299800000000, -0.0044806500000000 ] - [ 0.0002660800000000, 0.0005153500000000, -0.0000426100000000 ] - [ -0.0016022300000000, 0.0009824000000000, -0.0007897100000000 ] - [ 0.0000303900000000, 0.0005033800000000, 0.0005956300000000 ] - [ 0.0000362900000000, -0.0005708700000000, 0.0002770900000000 ] - [ 0.0012288700000000, -0.0009403800000000, 0.0004272500000000 ] - [ -0.0004132700000000, -0.0004907200000000, 0.0003288900000000 ] - [ 0.0002701300000000, 0.0002913900000000, 0.0008849300000000 ] - [ -0.0002706400000000, -0.0001736100000000, 0.0002786000000000 ] - [ 0.0006531700000000, 0.0006272300000000, 0.0002326300000000 ] - [ 0.0004296500000000, 0.0005573500000000, 0.0001514000000000 ] - [ 0.0000668000000000, 0.0001344400000000, 0.0000876000000000 ] - [ 0.0000175800000000, 0.0003198600000000, 0.0000933000000000 ] - [ 0.0000737800000000, -0.0001789000000000, 0.0000442600000000 ] - [ -0.0000146500000000, -0.0003430200000000, 0.0001119200000000 ] - [ 0.0000099100000000, -0.0004265100000000, 0.0000727100000000 ] - [ 0.0000308000000000, -0.0004485400000000, 0.0000514400000000 ] - [ 0.0003424500000000, 0.0004026700000000, -0.0000290000000000 ] - [ 0.0003226000000000, 0.0003649600000000, -0.0000284100000000 ] - [ 0.0001948200000000, 0.0008521900000000, 0.0001441700000000 ] - [ -0.0001259000000000, 0.0002992900000000, 0.0001846800000000 ] - [ 0.0005375800000000, -0.0005657600000000, 0.0001791300000000 ] - [ 0.0005132700000000, -0.0006110100000000, 0.0001729700000000 ] - [ 0.0000474900000000, 0.0003060500000000, 0.0001062100000000 ] - [ 0.0000283100000000, 0.0001497100000000, -0.0000072200000000 ] - [ 0.0002090800000000, 0.0002854100000000, 0.0001041900000000 ] - [ 0.0001260200000000, 0.0000905600000000, 0.0001627100000000 ] - [ -0.0000408500000000, -0.0004195900000000, -0.0000662600000000 ] - [ -0.0000291300000000, -0.0004089100000000, -0.0000674900000000 ] - [ 0.0002306000000000, -0.0004231900000000, 0.0001530800000000 ] - [ 0.0000966700000000, -0.0001625600000000, 0.0000221300000000 ] - [ 0.0003490900000000, -0.0003647500000000, -0.0000249800000000 ] - [ 0.0003159600000000, -0.0004006800000000, -0.0000334900000000 ] - [ 0.0001003200000000, 0.0004089200000000, 0.0000412900000000 ] - [ -0.0000725200000000, 0.0004589700000000, 0.0001027400000000 ] - [ -0.0000287600000000, 0.0004224700000000, -0.0000782100000000 ] - [ -0.0000430800000000, 0.0004055500000000, -0.0000543300000000 ] - [ 0.0001518100000000, 0.0003709800000000, 0.0001190300000000 ] - [ 0.0001450600000000, 0.0001466300000000, 0.0000062900000000 ] - [ 0.0002133400000000, -0.0000771000000000, 0.0001963200000000 ] - [ 0.0001245000000000, -0.0002302200000000, 0.0001364800000000 ] - [ 0.0007976100000000, -0.0007191800000000, 0.0004954200000000 ] - [ -0.0003138500000000, -0.0006460000000000, 0.0003631000000000 ] - [ -0.0000026300000000, -0.0001083900000000, 0.0001117800000000 ] - [ 0.0000364000000000, -0.0002891800000000, 0.0001074700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0013035400000000, -0.0009060500000000, 0.0008820000000000 ] - [ -0.0016839600000000, 0.0016361600000000, 0.0006856800000000 ] - [ 0.0067758800000000, -0.0020059900000000, -0.0007281200000000 ] - [ -0.0018716300000000, 0.0014478100000000, 0.0005589800000000 ] - [ 0.0000257300000000, 0.0021830400000000, -0.0006912400000000 ] - [ 0.0010040200000000, -0.0025809500000000, -0.0004899900000000 ] - [ -0.0001584500000000, 0.0012807900000000, -0.0000933200000000 ] - [ -0.0023258500000000, -0.0025207900000000, 0.0002749800000000 ] - [ 0.0004849200000000, 0.0001045300000000, 0.0000150400000000 ] - [ -0.0002703800000000, 0.0000726800000000, -0.0000255600000000 ] - [ 0.0010195000000000, -0.0000071000000000, -0.0001349000000000 ] - [ 0.0004675000000000, 0.0000565700000000, -0.0000850200000000 ] - [ 0.0000420600000000, 0.0001459500000000, -0.0000083800000000 ] - [ -0.0001142700000000, -0.0002790300000000, 0.0000033400000000 ] - [ 0.0007988400000000, 0.0001350500000000, -0.0000647800000000 ] - [ 0.0008798800000000, -0.0001585300000000, -0.0000897500000000 ] - [ -0.0139744100000000, 0.0054245400000000, -0.0187402000000000 ] - [ 0.0008987200000000, -0.0008263400000000, -0.0005050400000000 ] - [ -0.0006549700000000, 0.0000707700000000, 0.0001188500000000 ] - [ 0.0012556800000000, -0.0061683200000000, 0.0041610800000000 ] - [ -0.0120746300000000, -0.0064573200000000, 0.0007649700000000 ] - [ -0.0009746700000000, 0.0009729800000000, -0.0006839400000000 ] - [ -0.0012783800000000, 0.0002620600000000, -0.0003059400000000 ] - [ 0.0208873600000000, -0.0190819100000000, -0.0243462700000000 ] - [ 0.0007544700000000, -0.0002936200000000, -0.0003794500000000 ] - [ 0.0007585400000000, -0.0003455300000000, -0.0003643100000000 ] - [ 0.0007805700000000, 0.0003342600000000, -0.0003912600000000 ] - [ 0.0007276900000000, 0.0003031000000000, -0.0003555400000000 ] - [ -0.0002154500000000, 0.0002062500000000, -0.0002806300000000 ] - [ -0.0002741800000000, 0.0002019700000000, -0.0003270800000000 ] - [ -0.0002259200000000, -0.0001527600000000, -0.0003105900000000 ] - [ -0.0002688800000000, -0.0002507900000000, -0.0003021900000000 ] - [ 0.0003801700000000, 0.0000131100000000, -0.0000679800000000 ] - [ -0.0000918700000000, 0.0003232600000000, -0.0000623700000000 ] - [ 0.0002130400000000, 0.0001598300000000, 0.0000437400000000 ] - [ -0.0001509300000000, -0.0005936800000000, -0.0000238700000000 ] - [ 0.0004917100000000, 0.0000639900000000, -0.0000686000000000 ] - [ -0.0001210200000000, 0.0002077900000000, -0.0001126200000000 ] - [ 0.0003772300000000, 0.0002228900000000, 0.0000045900000000 ] - [ 0.0000804100000000, -0.0006104100000000, -0.0000242700000000 ] - [ 0.0011411200000000, 0.0045449500000000, -0.0092604400000000 ] - [ 0.0008776900000000, -0.0000178100000000, 0.0002271900000000 ] - [ -0.0005780400000000, -0.0006840900000000, 0.0011269500000000 ] - [ 0.0004204800000000, 0.0005991700000000, -0.0000972900000000 ] - [ -0.0004607200000000, 0.0013441700000000, -0.0013899200000000 ] - [ 0.0001114000000000, -0.0010416000000000, -0.0000374700000000 ] - [ 0.0033616500000000, -0.0032543800000000, 0.0008119000000000 ] - [ 0.0024050500000000, 0.0034585300000000, 0.0015527100000000 ] - [ 0.0057891200000000, 0.0112058800000000, 0.0880047500000000 ] - [ 0.0004304100000000, 0.0006426100000000, -0.0004559400000000 ] - [ -0.0003083600000000, 0.0004824300000000, 0.0003141300000000 ] - [ -0.0007965900000000, 0.0009171400000000, 0.0005036500000000 ] - [ 0.0007008200000000, -0.0012714200000000, 0.0002783400000000 ] - [ -0.0072880900000000, 0.0029564900000000, -0.0007568200000000 ] - [ -0.0005228900000000, -0.0010863700000000, 0.0000541800000000 ] - [ -0.0001053000000000, 0.0020038300000000, 0.0014911900000000 ] - [ -0.0005392900000000, 0.0009926900000000, -0.0002114500000000 ] - [ 0.0001595900000000, -0.0005532300000000, 0.0006244100000000 ] - [ 0.0065555600000000, -0.0013675900000000, -0.0032318600000000 ] - [ -0.0054775500000000, 0.0000305600000000, -0.0027805700000000 ] - [ -0.0014975700000000, -0.0012853100000000, -0.0004561000000000 ] - [ 0.0003912000000000, 0.0004774000000000, -0.0006828600000000 ] - [ 0.0005091600000000, -0.0002620500000000, 0.0000486700000000 ] - [ -0.0000388100000000, 0.0017034400000000, -0.0376435000000000 ] - [ -0.0061076700000000, 0.0097472400000000, -0.0020728100000000 ] - [ 0.0015811000000000, -0.0004125800000000, -0.0054910500000000 ] - [ 0.0003818700000000, 0.0003359200000000, 0.0043822900000000 ] - [ -0.0000025600000000, 0.0000673400000000, 0.0043855100000000 ] - [ -0.0001496900000000, 0.0000060100000000, 0.0001851200000000 ] - [ 0.0017204200000000, -0.0004660900000000, 0.0009309600000000 ] - [ 0.0000894500000000, -0.0008812600000000, -0.0003559000000000 ] - [ 0.0000869800000000, 0.0001871700000000, -0.0000394900000000 ] - [ -0.0012213300000000, -0.0002959600000000, 0.0000819500000000 ] - [ 0.0004141800000000, -0.0007450500000000, 0.0001812900000000 ] - [ -0.0003904900000000, -0.0006695900000000, -0.0006439300000000 ] - [ 0.0001494500000000, -0.0002115100000000, -0.0000443900000000 ] - [ -0.0001270600000000, 0.0004022300000000, 0.0000255400000000 ] - [ 0.0000982300000000, 0.0004708600000000, 0.0001068900000000 ] - [ -0.0001864000000000, 0.0002488600000000, 0.0001475500000000 ] - [ -0.0001358800000000, 0.0000663900000000, 0.0001400500000000 ] - [ -0.0001898200000000, -0.0003383700000000, 0.0000999500000000 ] - [ -0.0001025200000000, -0.0001736700000000, 0.0000311500000000 ] - [ -0.0005394700000000, -0.0005992200000000, 0.0001866400000000 ] - [ -0.0005571300000000, -0.0005780900000000, 0.0002069800000000 ] - [ 0.0000311100000000, 0.0003939400000000, -0.0000663900000000 ] - [ 0.0000505400000000, 0.0004314000000000, -0.0000664700000000 ] - [ -0.0001982300000000, 0.0003861200000000, 0.0003638900000000 ] - [ 0.0001249600000000, 0.0009343800000000, 0.0003235300000000 ] - [ 0.0000007000000000, -0.0004651900000000, 0.0000805600000000 ] - [ 0.0000165900000000, -0.0004185900000000, 0.0000859300000000 ] - [ -0.0001639700000000, 0.0002078500000000, 0.0000343200000000 ] - [ -0.0001448200000000, 0.0003630100000000, 0.0001477100000000 ] - [ -0.0000866600000000, 0.0000936600000000, 0.0001364100000000 ] - [ -0.0000032300000000, 0.0002884000000000, 0.0000776600000000 ] - [ -0.0003288700000000, -0.0003782300000000, -0.0000272300000000 ] - [ -0.0003432900000000, -0.0003891600000000, -0.0000277200000000 ] - [ -0.0001144500000000, -0.0000940000000000, -0.0000107500000000 ] - [ 0.0000195800000000, -0.0003544000000000, 0.0001184700000000 ] - [ 0.0000249600000000, -0.0004310400000000, -0.0000694300000000 ] - [ 0.0000569100000000, -0.0003969500000000, -0.0000604800000000 ] - [ -0.0006316500000000, 0.0006178700000000, 0.0002168300000000 ] - [ -0.0004537800000000, 0.0005670100000000, 0.0001549500000000 ] - [ -0.0003440000000000, 0.0003740200000000, -0.0000179700000000 ] - [ -0.0003273000000000, 0.0003931300000000, -0.0000418100000000 ] - [ -0.0000348000000000, 0.0001489600000000, 0.0000259400000000 ] - [ -0.0000290600000000, 0.0003728000000000, 0.0001370500000000 ] - [ -0.0000910500000000, -0.0003052000000000, 0.0000405900000000 ] - [ -0.0000032300000000, -0.0001522600000000, 0.0001011300000000 ] - [ -0.0007936600000000, -0.0005180600000000, 0.0000136800000000 ] - [ 0.0003097600000000, -0.0005902500000000, 0.0001464600000000 ] - [ -0.0001157500000000, -0.0002741100000000, 0.0001239500000000 ] - [ -0.0001566300000000, -0.0000914300000000, 0.0001310400000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0111427000000000, -0.0191307000000000, 0.0030822900000000 ] - [ 0.0088544600000000, 0.0160718500000000, -0.0006410700000000 ] - [ -0.0056282900000000, 0.0003473000000000, 0.0006110500000000 ] - [ -0.0054857000000000, 0.0004151600000000, 0.0005825400000000 ] - [ -0.0023213400000000, 0.0110603000000000, -0.0135789900000000 ] - [ 0.0072745200000000, -0.0001403100000000, 0.0014887700000000 ] - [ -0.0055119200000000, -0.0004458200000000, 0.0006089900000000 ] - [ -0.0055851800000000, -0.0003207900000000, 0.0005999800000000 ] - [ -0.0063608700000000, -0.0002315200000000, -0.0006981400000000 ] - [ -0.0062200400000000, -0.0003031600000000, -0.0006691200000000 ] - [ 0.0120486000000000, 0.0194312300000000, -0.0032436600000000 ] - [ 0.0096739500000000, -0.0160044400000000, 0.0005059400000000 ] - [ -0.0062455200000000, 0.0003317300000000, -0.0006961500000000 ] - [ -0.0063188200000000, 0.0002063600000000, -0.0006858100000000 ] - [ 0.0014084300000000, -0.0109145200000000, 0.0139575400000000 ] - [ 0.0081130400000000, -0.0000289100000000, -0.0016144500000000 ] - [ -0.0028553200000000, -0.0005759200000000, 0.0002257900000000 ] - [ -0.0031755400000000, 0.0019419400000000, 0.0002031500000000 ] - [ -0.0042679800000000, -0.0012948600000000, 0.0003290300000000 ] - [ -0.0024216200000000, 0.0001616700000000, -0.0001639400000000 ] - [ -0.0026855500000000, -0.0029880000000000, -0.0011153300000000 ] - [ -0.0045007600000000, 0.0072476000000000, 0.0017373600000000 ] - [ -0.0070304500000000, -0.0008241000000000, -0.0054602400000000 ] - [ -0.0006394600000000, -0.0005798800000000, 0.0004687500000000 ] - [ -0.0060476100000000, 0.0002964400000000, 0.0048454600000000 ] - [ 0.0004088900000000, 0.0000545400000000, -0.0011548700000000 ] - [ -0.0016582000000000, 0.0035536800000000, 0.0004468500000000 ] - [ -0.0034949600000000, -0.0067956300000000, -0.0024402900000000 ] - [ -0.0052904900000000, 0.0018182900000000, -0.0010042900000000 ] - [ -0.0034227900000000, 0.0003492500000000, -0.0005051600000000 ] - [ -0.0038613600000000, 0.0000715500000000, -0.0009011000000000 ] - [ -0.0041821300000000, -0.0024747000000000, -0.0008785000000000 ] - [ -0.0024856700000000, 0.0001676900000000, -0.0000338100000000 ] - [ -0.0024429700000000, 0.0001674200000000, -0.0000343700000000 ] - [ 0.0213792800000000, -0.0001048800000000, -0.0001203200000000 ] - [ 0.0065925000000000, -0.0001804100000000, -0.0000322900000000 ] - [ 0.0163801100000000, 0.0000197900000000, 0.0000062600000000 ] - [ 0.0128538700000000, 0.0002414000000000, -0.0000150100000000 ] - [ -0.0024528700000000, -0.0001678500000000, -0.0000334300000000 ] - [ -0.0024819400000000, -0.0001681800000000, -0.0000329300000000 ] - [ 0.0013099500000000, 0.0030812900000000, -0.0006178300000000 ] - [ -0.0007185900000000, -0.0019233700000000, -0.0004572200000000 ] - [ 0.0014350200000000, 0.0005418500000000, -0.0002904400000000 ] - [ 0.0014197100000000, 0.0004926800000000, -0.0002562200000000 ] - [ 0.0013389800000000, -0.0000692700000000, 0.0000101400000000 ] - [ 0.0012854800000000, -0.0000408100000000, 0.0000319100000000 ] - [ 0.0036854900000000, 0.0008297200000000, -0.0006156800000000 ] - [ 0.0036196700000000, 0.0002715600000000, -0.0008031200000000 ] - [ 0.0012240400000000, 0.0008291400000000, 0.0002598500000000 ] - [ 0.0039958100000000, -0.0015865200000000, 0.0007466300000000 ] - [ -0.1334350300000000, 0.0002663300000000, -0.0001860000000000 ] - [ -0.0076279400000000, 0.0006188100000000, 0.0002584400000000 ] - [ 0.0309260100000000, -0.0113730600000000, 0.0106337600000000 ] - [ -0.0021122700000000, 0.0003892600000000, -0.0004692000000000 ] - [ 0.0013113300000000, 0.0000743600000000, 0.0000151200000000 ] - [ 0.0013245400000000, 0.0000481800000000, 0.0000063800000000 ] - [ -0.0041858000000000, 0.0037609800000000, -0.0035272200000000 ] - [ 0.0028899300000000, -0.0155045000000000, 0.0122211500000000 ] - [ 0.0020751700000000, 0.0010476300000000, 0.0003625500000000 ] - [ 0.0020302500000000, -0.0020384200000000, -0.0012682100000000 ] - [ 0.0062120600000000, 0.0165676800000000, -0.0123010900000000 ] - [ -0.0027004600000000, -0.0023957500000000, 0.0024892100000000 ] - [ 0.0032286700000000, -0.0017438500000000, 0.0007469500000000 ] - [ 0.0013351500000000, 0.0004504900000000, -0.0003558800000000 ] - [ 0.0036780900000000, -0.0003639900000000, -0.0008162300000000 ] - [ 0.0036823600000000, -0.0009520300000000, -0.0005082900000000 ] - [ 0.0022483300000000, 0.0017951000000000, -0.0002454700000000 ] - [ 0.0012755400000000, -0.0004495000000000, 0.0000764600000000 ] - [ 0.0079952100000000, 0.0138764000000000, 0.0173441400000000 ] - [ -0.0025209000000000, -0.0039932000000000, -0.0017183400000000 ] - [ -0.0003986500000000, -0.0163215100000000, -0.0161818400000000 ] - [ -0.0037891800000000, 0.0015316100000000, 0.0010192400000000 ] - [ 0.0038330600000000, -0.0006167200000000, 0.0002530200000000 ] - [ 0.0037932600000000, -0.0006168200000000, 0.0002535800000000 ] - [ 0.0014266600000000, -0.0004947800000000, -0.0002565600000000 ] - [ 0.0014287000000000, -0.0005436900000000, -0.0002864800000000 ] - [ 0.0041918000000000, 0.0013718000000000, 0.0010643100000000 ] - [ 0.0041993200000000, 0.0019672200000000, 0.0007548700000000 ] - [ -0.0043979700000000, -0.0034056300000000, 0.0038460700000000 ] - [ 0.0026872900000000, 0.0159690300000000, -0.0120450300000000 ] - [ 0.0061668600000000, -0.0173932000000000, 0.0127133800000000 ] - [ -0.0028453100000000, 0.0018877800000000, -0.0023606200000000 ] - [ 0.0309467600000000, 0.0105068800000000, -0.0105449500000000 ] - [ -0.0026877800000000, -0.0014181500000000, 0.0007306400000000 ] - [ 0.0026351800000000, -0.0010160500000000, 0.0001484900000000 ] - [ 0.0016506200000000, 0.0012569800000000, -0.0001747200000000 ] - [ 0.0038010700000000, 0.0006167400000000, 0.0002529400000000 ] - [ 0.0038012500000000, 0.0006168700000000, 0.0002531900000000 ] - [ 0.0042042000000000, -0.0018438400000000, 0.0008622600000000 ] - [ 0.0041359800000000, -0.0012787000000000, 0.0010514300000000 ] - [ 0.0079548800000000, -0.0135254900000000, -0.0174412900000000 ] - [ -0.0026634800000000, 0.0045566000000000, 0.0018838100000000 ] - [ 0.0015663800000000, -0.0001687100000000, 0.0005361200000000 ] - [ 0.0015504800000000, -0.0001165600000000, 0.0005002100000000 ] - [ 0.0028590500000000, 0.0009657300000000, -0.0008465900000000 ] - [ 0.0009418500000000, -0.0012517700000000, 0.0002662300000000 ] - [ 0.0014608600000000, -0.0004596100000000, 0.0001326300000000 ] - [ 0.0014069700000000, -0.0004891000000000, 0.0001107900000000 ] - [ 0.0024605000000000, -0.0018621500000000, -0.0004636800000000 ] - [ 0.0024134400000000, 0.0012603600000000, 0.0011837700000000 ] - [ 0.0007660000000000, -0.0020969100000000, 0.0008821300000000 ] - [ -0.0012876000000000, 0.0029616100000000, 0.0007194500000000 ] - [ 0.0008291900000000, -0.0000412300000000, -0.0003559900000000 ] - [ 0.0036330400000000, 0.0024017900000000, -0.0008479200000000 ] - [ 0.0014327100000000, 0.0004576200000000, 0.0001311000000000 ] - [ 0.0014464900000000, 0.0004850500000000, 0.0001401000000000 ] - [ 0.0015583700000000, 0.0001164700000000, 0.0004980600000000 ] - [ 0.0015596800000000, 0.0001653000000000, 0.0005275700000000 ] - [ -0.0144205200000000, -0.0005963700000000, 0.0002317400000000 ] - [ -0.0128281900000000, -0.0006169700000000, 0.0002543500000000 ] - [ -0.0006864800000000, 0.0161546300000000, 0.0166987800000000 ] - [ -0.0040174600000000, -0.0018639200000000, -0.0008073700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041943600000000, -0.0001628500000000, -0.0007040800000000 ] - [ 0.0022923700000000, -0.0088402800000000, 0.0031386600000000 ] - [ 0.0003626300000000, 0.0000978300000000, -0.0000375100000000 ] - [ 0.0003883800000000, 0.0000119700000000, -0.0000391400000000 ] - [ 0.0053130000000000, 0.0156587000000000, 0.0002018400000000 ] - [ -0.0021720700000000, -0.0089272500000000, -0.0020518600000000 ] - [ 0.0003200300000000, -0.0000662100000000, -0.0000334100000000 ] - [ 0.0004079600000000, -0.0000473100000000, -0.0000460600000000 ] - [ -0.0003626300000000, 0.0000978300000000, -0.0000375100000000 ] - [ -0.0003883800000000, 0.0000119700000000, -0.0000391400000000 ] - [ 0.0041943600000000, -0.0001628500000000, -0.0007040800000000 ] - [ -0.0022923700000000, -0.0088402800000000, 0.0031386600000000 ] - [ -0.0003200300000000, -0.0000662100000000, -0.0000334100000000 ] - [ -0.0004079600000000, -0.0000473100000000, -0.0000460600000000 ] - [ -0.0053130000000000, 0.0156587000000000, 0.0002018400000000 ] - [ 0.0021720700000000, -0.0089272500000000, -0.0020518600000000 ] - [ 0.0001944400000000, -0.0000042700000000, -0.0002765000000000 ] - [ 0.0007941600000000, -0.0004907300000000, -0.0004133400000000 ] - [ 0.0005962900000000, 0.0006786500000000, -0.0003720400000000 ] - [ 0.0003991000000000, -0.0002102700000000, -0.0002795100000000 ] - [ -0.0018541900000000, 0.0005935200000000, -0.0009449900000000 ] - [ 0.0011338300000000, -0.0005644700000000, -0.0001061600000000 ] - [ 0.0002100000000000, 0.0017265700000000, -0.0001770200000000 ] - [ -0.0014197800000000, -0.0017828300000000, -0.0002363700000000 ] - [ -0.0002100000000000, 0.0017265700000000, -0.0001770200000000 ] - [ 0.0014197800000000, -0.0017828300000000, -0.0002363700000000 ] - [ 0.0018541900000000, 0.0005935200000000, -0.0009449900000000 ] - [ -0.0011338300000000, -0.0005644700000000, -0.0001061600000000 ] - [ -0.0005962900000000, 0.0006786500000000, -0.0003720400000000 ] - [ -0.0003991000000000, -0.0002102700000000, -0.0002795100000000 ] - [ -0.0001944400000000, -0.0000042700000000, -0.0002765000000000 ] - [ -0.0007941600000000, -0.0004907300000000, -0.0004133400000000 ] - [ 0.0000000000000000, 0.0001780300000000, -0.0000354400000000 ] - [ 0.0000000000000000, 0.0001549000000000, -0.0000352200000000 ] - [ 0.0000000000000000, 0.0094967800000000, -0.0011925400000000 ] - [ 0.0000000000000000, -0.0040041500000000, 0.0003300900000000 ] - [ 0.0000000000000000, 0.0063596100000000, 0.0020074100000000 ] - [ 0.0000000000000000, -0.0104584300000000, -0.0015910400000000 ] - [ 0.0000000000000000, -0.0001708400000000, -0.0000351400000000 ] - [ 0.0000000000000000, -0.0001613200000000, -0.0000333200000000 ] - [ 0.0028905400000000, 0.0012951400000000, 0.0004744400000000 ] - [ -0.0021591700000000, 0.0007087300000000, -0.0003596200000000 ] - [ -0.0000554700000000, 0.0001815200000000, 0.0001238400000000 ] - [ -0.0000620600000000, 0.0001971800000000, 0.0001161900000000 ] - [ -0.0000583000000000, -0.0002740500000000, 0.0000794900000000 ] - [ -0.0000563100000000, -0.0002326800000000, 0.0000562300000000 ] - [ -0.0002367200000000, -0.0005977900000000, 0.0000745400000000 ] - [ -0.0002823700000000, -0.0004198300000000, 0.0001861800000000 ] - [ 0.0005600100000000, 0.0006218300000000, 0.0000885800000000 ] - [ -0.0002461700000000, 0.0001199200000000, -0.0003450000000000 ] - [ 0.0000000000000000, -0.0581362100000000, 0.0022297400000000 ] - [ 0.0000000000000000, 0.0065158900000000, 0.0001601900000000 ] - [ -0.0016537200000000, 0.0018237800000000, -0.0003632600000000 ] - [ 0.0008819200000000, -0.0001211100000000, 0.0003987600000000 ] - [ -0.0000482200000000, 0.0002799100000000, 0.0000789100000000 ] - [ -0.0000673000000000, 0.0002395200000000, 0.0000684800000000 ] - [ 0.0027080900000000, 0.0026007700000000, 0.0016881100000000 ] - [ -0.0097202200000000, 0.0092012600000000, -0.0088601900000000 ] - [ -0.0000094900000000, -0.0008571800000000, -0.0001726800000000 ] - [ -0.0004895600000000, 0.0002198100000000, 0.0002722100000000 ] - [ 0.0053854800000000, -0.0037619900000000, -0.0000327000000000 ] - [ -0.0007054900000000, 0.0042413500000000, -0.0025729300000000 ] - [ -0.0001506800000000, -0.0007085100000000, 0.0000541700000000 ] - [ 0.0006054000000000, -0.0001794100000000, -0.0000213500000000 ] - [ -0.0002313500000000, 0.0004014200000000, 0.0001614200000000 ] - [ -0.0003325500000000, 0.0006448900000000, 0.0000912300000000 ] - [ -0.0001742400000000, -0.0000690200000000, 0.0001861200000000 ] - [ -0.0001742600000000, 0.0010093600000000, -0.0003636100000000 ] - [ 0.0053133300000000, -0.0009847300000000, 0.0026557100000000 ] - [ 0.0001778500000000, 0.0044209500000000, 0.0022391600000000 ] - [ -0.0069062300000000, 0.0036793600000000, 0.0058307600000000 ] - [ 0.0047161600000000, 0.0050914000000000, -0.0003429500000000 ] - [ 0.0000000000000000, -0.0006301100000000, 0.0002587700000000 ] - [ 0.0000000000000000, -0.0006070400000000, 0.0002487300000000 ] - [ -0.0000516200000000, -0.0002047600000000, 0.0001083900000000 ] - [ -0.0000646700000000, -0.0001837300000000, 0.0001208000000000 ] - [ 0.0002313500000000, 0.0004014200000000, 0.0001614200000000 ] - [ 0.0003325500000000, 0.0006448900000000, 0.0000912300000000 ] - [ -0.0027080900000000, 0.0026007700000000, 0.0016881100000000 ] - [ 0.0097202200000000, 0.0092012600000000, -0.0088601900000000 ] - [ -0.0053854800000000, -0.0037619900000000, -0.0000327000000000 ] - [ 0.0007054900000000, 0.0042413500000000, -0.0025729300000000 ] - [ 0.0016537200000000, 0.0018237800000000, -0.0003632600000000 ] - [ -0.0008819200000000, -0.0001211100000000, 0.0003987600000000 ] - [ 0.0001742400000000, -0.0000690200000000, 0.0001861200000000 ] - [ 0.0001742600000000, 0.0010093600000000, -0.0003636100000000 ] - [ 0.0000000000000000, 0.0006207500000000, 0.0002533800000000 ] - [ 0.0000000000000000, 0.0006202300000000, 0.0002592300000000 ] - [ 0.0002367200000000, -0.0005977900000000, 0.0000745400000000 ] - [ 0.0002823700000000, -0.0004198300000000, 0.0001861800000000 ] - [ -0.0053133300000000, -0.0009847300000000, 0.0026557100000000 ] - [ -0.0001778500000000, 0.0044209500000000, 0.0022391600000000 ] - [ 0.0000554700000000, 0.0001815200000000, 0.0001238400000000 ] - [ 0.0000620600000000, 0.0001971800000000, 0.0001161900000000 ] - [ 0.0001506800000000, -0.0007085100000000, 0.0000541700000000 ] - [ -0.0006054000000000, -0.0001794100000000, -0.0000213500000000 ] - [ 0.0000583000000000, -0.0002740500000000, 0.0000794900000000 ] - [ 0.0000563100000000, -0.0002326800000000, 0.0000562300000000 ] - [ 0.0000094900000000, -0.0008571800000000, -0.0001726800000000 ] - [ 0.0004895600000000, 0.0002198100000000, 0.0002722100000000 ] - [ -0.0028905400000000, 0.0012951400000000, 0.0004744400000000 ] - [ 0.0021591700000000, 0.0007087300000000, -0.0003596200000000 ] - [ -0.0005600100000000, 0.0006218300000000, 0.0000885800000000 ] - [ 0.0002461700000000, 0.0001199200000000, -0.0003450000000000 ] - [ 0.0000482200000000, 0.0002799100000000, 0.0000789100000000 ] - [ 0.0000673000000000, 0.0002395200000000, 0.0000684800000000 ] - [ 0.0000516200000000, -0.0002047600000000, 0.0001083900000000 ] - [ 0.0000646700000000, -0.0001837300000000, 0.0001208000000000 ] - [ 0.0000000000000000, -0.0033337300000000, -0.0022290500000000 ] - [ 0.0000000000000000, 0.0014475200000000, 0.0007203300000000 ] - [ 0.0069062300000000, 0.0036793600000000, 0.0058307600000000 ] - [ -0.0047161600000000, 0.0050914000000000, -0.0003429500000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0035134700000000, 0.0001691500000000, 0.0005982600000000 ] - [ -0.0029931300000000, 0.0089914300000000, -0.0032029600000000 ] - [ 0.0003684000000000, 0.0000162800000000, -0.0000495800000000 ] - [ 0.0003434000000000, 0.0001020300000000, -0.0000475800000000 ] - [ -0.0061255300000000, -0.0157544500000000, -0.0003293500000000 ] - [ 0.0015036900000000, 0.0088456200000000, 0.0019939800000000 ] - [ 0.0004113300000000, -0.0000471800000000, -0.0000538300000000 ] - [ 0.0003230600000000, -0.0000657200000000, -0.0000410600000000 ] - [ -0.0003684000000000, 0.0000162800000000, -0.0000495800000000 ] - [ -0.0003434000000000, 0.0001020300000000, -0.0000475800000000 ] - [ -0.0035134700000000, 0.0001691500000000, 0.0005982600000000 ] - [ 0.0029931300000000, 0.0089914300000000, -0.0032029600000000 ] - [ -0.0004113300000000, -0.0000471800000000, -0.0000538300000000 ] - [ -0.0003230600000000, -0.0000657200000000, -0.0000410600000000 ] - [ 0.0061255300000000, -0.0157544500000000, -0.0003293500000000 ] - [ -0.0015036900000000, 0.0088456200000000, 0.0019939800000000 ] - [ 0.0008044900000000, -0.0005240600000000, -0.0004015200000000 ] - [ 0.0002036300000000, -0.0000232500000000, -0.0002644200000000 ] - [ 0.0003948100000000, -0.0001604600000000, -0.0003050300000000 ] - [ 0.0006029100000000, 0.0007368900000000, -0.0004006600000000 ] - [ 0.0008664700000000, -0.0000914900000000, 0.0002664800000000 ] - [ -0.0021344800000000, 0.0011242900000000, -0.0005574700000000 ] - [ -0.0012218000000000, -0.0022470600000000, -0.0005301900000000 ] - [ 0.0004421300000000, 0.0012648800000000, -0.0004358800000000 ] - [ 0.0012218000000000, -0.0022470600000000, -0.0005301900000000 ] - [ -0.0004421300000000, 0.0012648800000000, -0.0004358800000000 ] - [ -0.0008664700000000, -0.0000914900000000, 0.0002664800000000 ] - [ 0.0021344800000000, 0.0011242900000000, -0.0005574700000000 ] - [ -0.0003948100000000, -0.0001604600000000, -0.0003050300000000 ] - [ -0.0006029100000000, 0.0007368900000000, -0.0004006600000000 ] - [ -0.0008044900000000, -0.0005240600000000, -0.0004015200000000 ] - [ -0.0002036300000000, -0.0000232500000000, -0.0002644200000000 ] - [ 0.0000000000000000, 0.0001549900000000, -0.0000336400000000 ] - [ 0.0000000000000000, 0.0001785900000000, -0.0000345500000000 ] - [ 0.0000000000000000, -0.0098476200000000, 0.0011589800000000 ] - [ 0.0000000000000000, 0.0036874800000000, -0.0003991700000000 ] - [ 0.0000000000000000, -0.0069072800000000, -0.0019918700000000 ] - [ 0.0000000000000000, 0.0107829700000000, 0.0014985900000000 ] - [ 0.0000000000000000, -0.0001621400000000, -0.0000328000000000 ] - [ 0.0000000000000000, -0.0001720600000000, -0.0000342900000000 ] - [ -0.0023670800000000, -0.0002617300000000, -0.0002154200000000 ] - [ 0.0026705300000000, 0.0003077000000000, 0.0006112700000000 ] - [ -0.0000595000000000, 0.0002008000000000, 0.0001131700000000 ] - [ -0.0000526300000000, 0.0001870200000000, 0.0001193800000000 ] - [ -0.0000555100000000, -0.0002378000000000, 0.0000635000000000 ] - [ -0.0000580100000000, -0.0002791900000000, 0.0000873000000000 ] - [ -0.0003045700000000, -0.0004294700000000, 0.0001843700000000 ] - [ -0.0002568800000000, -0.0006095500000000, 0.0000711900000000 ] - [ -0.0001953700000000, 0.0001766300000000, -0.0001819400000000 ] - [ 0.0006261300000000, 0.0006672800000000, 0.0002552300000000 ] - [ 0.0000000000000000, 0.0601318700000000, -0.0018801200000000 ] - [ 0.0000000000000000, -0.0052827900000000, 0.0003428900000000 ] - [ 0.0023372100000000, -0.0028993000000000, 0.0006646700000000 ] - [ -0.0003758000000000, -0.0008968300000000, -0.0001488300000000 ] - [ -0.0000658900000000, 0.0002347100000000, 0.0000664700000000 ] - [ -0.0000467300000000, 0.0002756300000000, 0.0000770300000000 ] - [ -0.0026265800000000, -0.0021939300000000, -0.0014908800000000 ] - [ 0.0096953500000000, -0.0087726500000000, 0.0090211400000000 ] - [ -0.0003611000000000, 0.0000714500000000, 0.0000835900000000 ] - [ 0.0001194900000000, -0.0010234600000000, -0.0003707900000000 ] - [ -0.0053053500000000, 0.0033166800000000, 0.0001675400000000 ] - [ 0.0008063700000000, -0.0047729500000000, 0.0027267100000000 ] - [ 0.0005262400000000, -0.0000959000000000, -0.0001456100000000 ] - [ -0.0002400000000000, -0.0006129100000000, -0.0000753000000000 ] - [ -0.0003065200000000, 0.0006285300000000, 0.0000961400000000 ] - [ -0.0002065700000000, 0.0003815200000000, 0.0001695700000000 ] - [ -0.0001947200000000, 0.0008711200000000, -0.0002780600000000 ] - [ -0.0002006100000000, -0.0002182300000000, 0.0002730800000000 ] - [ -0.0051888600000000, 0.0015809700000000, -0.0024657900000000 ] - [ -0.0000741900000000, -0.0039278700000000, -0.0021100900000000 ] - [ 0.0069602400000000, -0.0041034100000000, -0.0055511100000000 ] - [ -0.0046686300000000, -0.0055002000000000, 0.0006080800000000 ] - [ 0.0000000000000000, -0.0006102700000000, 0.0002539400000000 ] - [ 0.0000000000000000, -0.0006329700000000, 0.0002653000000000 ] - [ -0.0000631600000000, -0.0001806600000000, 0.0001250000000000 ] - [ -0.0000496900000000, -0.0002015900000000, 0.0001129200000000 ] - [ 0.0003065200000000, 0.0006285300000000, 0.0000961400000000 ] - [ 0.0002065700000000, 0.0003815200000000, 0.0001695700000000 ] - [ 0.0026265800000000, -0.0021939300000000, -0.0014908800000000 ] - [ -0.0096953500000000, -0.0087726500000000, 0.0090211400000000 ] - [ 0.0053053500000000, 0.0033166800000000, 0.0001675400000000 ] - [ -0.0008063700000000, -0.0047729500000000, 0.0027267100000000 ] - [ -0.0023372100000000, -0.0028993000000000, 0.0006646700000000 ] - [ 0.0003758000000000, -0.0008968300000000, -0.0001488300000000 ] - [ 0.0001947200000000, 0.0008711200000000, -0.0002780600000000 ] - [ 0.0002006100000000, -0.0002182300000000, 0.0002730800000000 ] - [ 0.0000000000000000, 0.0006204800000000, 0.0002593600000000 ] - [ 0.0000000000000000, 0.0006200300000000, 0.0002537800000000 ] - [ 0.0003045700000000, -0.0004294700000000, 0.0001843700000000 ] - [ 0.0002568800000000, -0.0006095500000000, 0.0000711900000000 ] - [ 0.0051888600000000, 0.0015809700000000, -0.0024657900000000 ] - [ 0.0000741900000000, -0.0039278700000000, -0.0021100900000000 ] - [ 0.0000595000000000, 0.0002008000000000, 0.0001131700000000 ] - [ 0.0000526300000000, 0.0001870200000000, 0.0001193800000000 ] - [ -0.0005262400000000, -0.0000959000000000, -0.0001456100000000 ] - [ 0.0002400000000000, -0.0006129100000000, -0.0000753000000000 ] - [ 0.0000555100000000, -0.0002378000000000, 0.0000635000000000 ] - [ 0.0000580100000000, -0.0002791900000000, 0.0000873000000000 ] - [ 0.0003611000000000, 0.0000714500000000, 0.0000835900000000 ] - [ -0.0001194900000000, -0.0010234600000000, -0.0003707900000000 ] - [ 0.0023670800000000, -0.0002617300000000, -0.0002154200000000 ] - [ -0.0026705300000000, 0.0003077000000000, 0.0006112700000000 ] - [ 0.0001953700000000, 0.0001766300000000, -0.0001819400000000 ] - [ -0.0006261300000000, 0.0006672800000000, 0.0002552300000000 ] - [ 0.0000658900000000, 0.0002347100000000, 0.0000664700000000 ] - [ 0.0000467300000000, 0.0002756300000000, 0.0000770300000000 ] - [ 0.0000631600000000, -0.0001806600000000, 0.0001250000000000 ] - [ 0.0000496900000000, -0.0002015900000000, 0.0001129200000000 ] - [ 0.0000000000000000, 0.0021064500000000, 0.0027687400000000 ] - [ 0.0000000000000000, -0.0027062900000000, -0.0002005000000000 ] - [ -0.0069602400000000, -0.0041034100000000, -0.0055511100000000 ] - [ 0.0046686300000000, -0.0055002000000000, 0.0006080800000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0020697900000000, -0.0024905900000000, -0.0050627100000000 ] - [ -0.0020438100000000, 0.0006220700000000, -0.0042423800000000 ] - [ 0.0003502400000000, 0.0000697700000000, -0.0000455900000000 ] - [ 0.0003892700000000, 0.0000401000000000, -0.0000443300000000 ] - [ 0.0020809900000000, -0.0043822300000000, 0.0089042100000000 ] - [ -0.0003474400000000, 0.0003193000000000, -0.0002817100000000 ] - [ 0.0003408500000000, -0.0000735900000000, -0.0000467000000000 ] - [ 0.0003682700000000, -0.0000439300000000, -0.0000486200000000 ] - [ -0.0003502400000000, 0.0000697700000000, -0.0000455900000000 ] - [ -0.0003892700000000, 0.0000401000000000, -0.0000443300000000 ] - [ 0.0020697900000000, -0.0024905900000000, -0.0050627100000000 ] - [ 0.0020438100000000, 0.0006220700000000, -0.0042423800000000 ] - [ -0.0003408500000000, -0.0000735900000000, -0.0000467000000000 ] - [ -0.0003682700000000, -0.0000439300000000, -0.0000486200000000 ] - [ -0.0020809900000000, -0.0043822300000000, 0.0089042100000000 ] - [ 0.0003474400000000, 0.0003193000000000, -0.0002817100000000 ] - [ 0.0004224600000000, -0.0002292400000000, -0.0003375000000000 ] - [ 0.0005006700000000, -0.0003304700000000, -0.0003471100000000 ] - [ 0.0006658100000000, 0.0003326900000000, -0.0003692200000000 ] - [ 0.0004707300000000, 0.0001806000000000, -0.0002901600000000 ] - [ -0.0003376900000000, 0.0007196500000000, -0.0003189800000000 ] - [ -0.0002876400000000, -0.0007229300000000, -0.0007855000000000 ] - [ -0.0008580500000000, -0.0000550500000000, 0.0001247500000000 ] - [ -0.0008276000000000, -0.0004157300000000, -0.0003402000000000 ] - [ 0.0008580500000000, -0.0000550500000000, 0.0001247500000000 ] - [ 0.0008276000000000, -0.0004157300000000, -0.0003402000000000 ] - [ 0.0003376900000000, 0.0007196500000000, -0.0003189800000000 ] - [ 0.0002876400000000, -0.0007229300000000, -0.0007855000000000 ] - [ -0.0006658100000000, 0.0003326900000000, -0.0003692200000000 ] - [ -0.0004707300000000, 0.0001806000000000, -0.0002901600000000 ] - [ -0.0004224600000000, -0.0002292400000000, -0.0003375000000000 ] - [ -0.0005006700000000, -0.0003304700000000, -0.0003471100000000 ] - [ 0.0000000000000000, 0.0001705800000000, -0.0000340900000000 ] - [ 0.0000000000000000, 0.0001633500000000, -0.0000343500000000 ] - [ 0.0000000000000000, 0.0031792500000000, -0.0025132500000000 ] - [ 0.0000000000000000, -0.0002003000000000, 0.0001624600000000 ] - [ 0.0000000000000000, 0.0019000700000000, 0.0034142700000000 ] - [ 0.0000000000000000, -0.0009340400000000, 0.0014636800000000 ] - [ 0.0000000000000000, -0.0001741300000000, -0.0000336400000000 ] - [ 0.0000000000000000, -0.0001625200000000, -0.0000331200000000 ] - [ 0.0009629600000000, 0.0006578600000000, 0.0008177900000000 ] - [ 0.0008264900000000, 0.0010031500000000, 0.0009166700000000 ] - [ -0.0000566400000000, 0.0001905500000000, 0.0001203900000000 ] - [ -0.0000624600000000, 0.0001856600000000, 0.0001244900000000 ] - [ -0.0000570200000000, -0.0002672800000000, 0.0000749600000000 ] - [ -0.0000579200000000, -0.0002447000000000, 0.0000595900000000 ] - [ -0.0002443800000000, -0.0005106500000000, 0.0001264600000000 ] - [ -0.0002671100000000, -0.0004939300000000, 0.0001459800000000 ] - [ 0.0002490300000000, 0.0003612500000000, -0.0001067800000000 ] - [ -0.0000214700000000, 0.0005881900000000, -0.0002945100000000 ] - [ 0.0000000000000000, 0.0025505000000000, -0.0519463600000000 ] - [ 0.0000000000000000, 0.0005290400000000, 0.0002434700000000 ] - [ -0.0044262700000000, 0.0017215600000000, 0.0010294600000000 ] - [ 0.0005528700000000, -0.0006026000000000, 0.0002158600000000 ] - [ -0.0000588100000000, 0.0002713000000000, 0.0000831700000000 ] - [ -0.0000600800000000, 0.0002503500000000, 0.0000718500000000 ] - [ -0.0006624800000000, 0.0001038200000000, -0.0006914600000000 ] - [ 0.0054057100000000, -0.0056936900000000, 0.0038649600000000 ] - [ -0.0001671400000000, -0.0004465500000000, 0.0000294400000000 ] - [ -0.0002837900000000, -0.0002495000000000, 0.0001251100000000 ] - [ -0.0064334800000000, -0.0046249100000000, 0.0034824600000000 ] - [ 0.0001602900000000, -0.0006986300000000, 0.0007645800000000 ] - [ 0.0001686500000000, -0.0003904300000000, 0.0001960500000000 ] - [ 0.0002519400000000, -0.0004476400000000, 0.0000621100000000 ] - [ -0.0002513700000000, 0.0004944700000000, 0.0001301900000000 ] - [ -0.0003155500000000, 0.0005720400000000, 0.0001073600000000 ] - [ -0.0001920400000000, 0.0003042500000000, -0.0001554700000000 ] - [ -0.0001521000000000, 0.0005040500000000, -0.0001145100000000 ] - [ 0.0068666300000000, 0.0045984000000000, 0.0044371000000000 ] - [ 0.0001204600000000, 0.0001933700000000, 0.0001944100000000 ] - [ -0.0018905300000000, 0.0055929200000000, 0.0106245200000000 ] - [ 0.0001796000000000, 0.0000267200000000, 0.0007098100000000 ] - [ 0.0000000000000000, -0.0006228600000000, 0.0002578400000000 ] - [ 0.0000000000000000, -0.0006120200000000, 0.0002507900000000 ] - [ -0.0000564200000000, -0.0001937000000000, 0.0001162000000000 ] - [ -0.0000616200000000, -0.0001945500000000, 0.0001146700000000 ] - [ 0.0002513700000000, 0.0004944700000000, 0.0001301900000000 ] - [ 0.0003155500000000, 0.0005720400000000, 0.0001073600000000 ] - [ 0.0006624800000000, 0.0001038200000000, -0.0006914600000000 ] - [ -0.0054057100000000, -0.0056936900000000, 0.0038649600000000 ] - [ 0.0064334800000000, -0.0046249100000000, 0.0034824600000000 ] - [ -0.0001602900000000, -0.0006986300000000, 0.0007645800000000 ] - [ 0.0044262700000000, 0.0017215600000000, 0.0010294600000000 ] - [ -0.0005528700000000, -0.0006026000000000, 0.0002158600000000 ] - [ 0.0001920400000000, 0.0003042500000000, -0.0001554700000000 ] - [ 0.0001521000000000, 0.0005040500000000, -0.0001145100000000 ] - [ 0.0000000000000000, 0.0006230500000000, 0.0002581000000000 ] - [ 0.0000000000000000, 0.0006170900000000, 0.0002582200000000 ] - [ 0.0002443800000000, -0.0005106500000000, 0.0001264600000000 ] - [ 0.0002671100000000, -0.0004939300000000, 0.0001459800000000 ] - [ -0.0068666300000000, 0.0045984000000000, 0.0044371000000000 ] - [ -0.0001204600000000, 0.0001933700000000, 0.0001944100000000 ] - [ 0.0000566400000000, 0.0001905500000000, 0.0001203900000000 ] - [ 0.0000624600000000, 0.0001856600000000, 0.0001244900000000 ] - [ -0.0001686500000000, -0.0003904300000000, 0.0001960500000000 ] - [ -0.0002519400000000, -0.0004476400000000, 0.0000621100000000 ] - [ 0.0000570200000000, -0.0002672800000000, 0.0000749600000000 ] - [ 0.0000579200000000, -0.0002447000000000, 0.0000595900000000 ] - [ 0.0001671400000000, -0.0004465500000000, 0.0000294400000000 ] - [ 0.0002837900000000, -0.0002495000000000, 0.0001251100000000 ] - [ -0.0009629600000000, 0.0006578600000000, 0.0008177900000000 ] - [ -0.0008264900000000, 0.0010031500000000, 0.0009166700000000 ] - [ -0.0002490300000000, 0.0003612500000000, -0.0001067800000000 ] - [ 0.0000214700000000, 0.0005881900000000, -0.0002945100000000 ] - [ 0.0000588100000000, 0.0002713000000000, 0.0000831700000000 ] - [ 0.0000600800000000, 0.0002503500000000, 0.0000718500000000 ] - [ 0.0000564200000000, -0.0001937000000000, 0.0001162000000000 ] - [ 0.0000616200000000, -0.0001945500000000, 0.0001146700000000 ] - [ 0.0000000000000000, 0.0018452600000000, -0.0000911500000000 ] - [ 0.0000000000000000, -0.0010754600000000, 0.0006748100000000 ] - [ 0.0018905300000000, 0.0055929200000000, 0.0106245200000000 ] - [ -0.0001796000000000, 0.0000267200000000, 0.0007098100000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0014081000000000, 0.0026167400000000, 0.0049515300000000 ] - [ 0.0013475700000000, -0.0005487600000000, 0.0041237300000000 ] - [ 0.0003745700000000, 0.0000430200000000, -0.0000487100000000 ] - [ 0.0003366900000000, 0.0000734400000000, -0.0000491800000000 ] - [ -0.0028783700000000, 0.0043423500000000, -0.0090029200000000 ] - [ -0.0003794800000000, -0.0004448000000000, 0.0001805500000000 ] - [ 0.0003852200000000, -0.0000399100000000, -0.0000483000000000 ] - [ 0.0003562500000000, -0.0000695500000000, -0.0000461300000000 ] - [ -0.0003745700000000, 0.0000430200000000, -0.0000487100000000 ] - [ -0.0003366900000000, 0.0000734400000000, -0.0000491800000000 ] - [ -0.0014081000000000, 0.0026167400000000, 0.0049515300000000 ] - [ -0.0013475700000000, -0.0005487600000000, 0.0041237300000000 ] - [ -0.0003852200000000, -0.0000399100000000, -0.0000483000000000 ] - [ -0.0003562500000000, -0.0000695500000000, -0.0000461300000000 ] - [ 0.0028783700000000, 0.0043423500000000, -0.0090029200000000 ] - [ 0.0003794800000000, -0.0004448000000000, 0.0001805500000000 ] - [ 0.0005756200000000, -0.0002966600000000, -0.0003407600000000 ] - [ 0.0004959900000000, -0.0001864200000000, -0.0003312100000000 ] - [ 0.0003274000000000, 0.0001858600000000, -0.0003087600000000 ] - [ 0.0005281400000000, 0.0003445700000000, -0.0003885000000000 ] - [ -0.0006497200000000, -0.0002021800000000, -0.0003561900000000 ] - [ -0.0007055600000000, 0.0012665600000000, 0.0001190100000000 ] - [ -0.0001480300000000, -0.0004698700000000, -0.0008232300000000 ] - [ -0.0001611600000000, -0.0001026200000000, -0.0003386000000000 ] - [ 0.0001480300000000, -0.0004698700000000, -0.0008232300000000 ] - [ 0.0001611600000000, -0.0001026200000000, -0.0003386000000000 ] - [ 0.0006497200000000, -0.0002021800000000, -0.0003561900000000 ] - [ 0.0007055600000000, 0.0012665600000000, 0.0001190100000000 ] - [ -0.0003274000000000, 0.0001858600000000, -0.0003087600000000 ] - [ -0.0005281400000000, 0.0003445700000000, -0.0003885000000000 ] - [ -0.0005756200000000, -0.0002966600000000, -0.0003407600000000 ] - [ -0.0004959900000000, -0.0001864200000000, -0.0003312100000000 ] - [ 0.0000000000000000, 0.0001645300000000, -0.0000352200000000 ] - [ 0.0000000000000000, 0.0001719400000000, -0.0000355500000000 ] - [ 0.0000000000000000, -0.0035208500000000, 0.0012650000000000 ] - [ 0.0000000000000000, -0.0001337000000000, -0.0002303000000000 ] - [ 0.0000000000000000, -0.0015428800000000, -0.0034715700000000 ] - [ 0.0000000000000000, 0.0012849500000000, -0.0015136500000000 ] - [ 0.0000000000000000, -0.0001616200000000, -0.0000344400000000 ] - [ 0.0000000000000000, -0.0001740900000000, -0.0000348500000000 ] - [ -0.0004404300000000, 0.0003572300000000, -0.0005628500000000 ] - [ -0.0003040300000000, 0.0000166100000000, -0.0006576100000000 ] - [ -0.0000602900000000, 0.0001909800000000, 0.0001178900000000 ] - [ -0.0000540900000000, 0.0001973500000000, 0.0001126900000000 ] - [ -0.0000596600000000, -0.0002483100000000, 0.0000696200000000 ] - [ -0.0000588700000000, -0.0002705300000000, 0.0000850100000000 ] - [ -0.0003002500000000, -0.0005148100000000, 0.0001306500000000 ] - [ -0.0002760500000000, -0.0005324800000000, 0.0001101100000000 ] - [ 0.0001195400000000, 0.0004340800000000, 0.0000151600000000 ] - [ 0.0003995700000000, 0.0002003700000000, 0.0002057100000000 ] - [ 0.0000000000000000, -0.0015596700000000, 0.0535990000000000 ] - [ 0.0000000000000000, 0.0007101900000000, 0.0002730500000000 ] - [ 0.0050717900000000, -0.0027913100000000, -0.0007215100000000 ] - [ -0.0000172200000000, -0.0004213900000000, 0.0000415600000000 ] - [ -0.0000578400000000, 0.0002472600000000, 0.0000645500000000 ] - [ -0.0000567300000000, 0.0002685800000000, 0.0000758100000000 ] - [ 0.0007776900000000, 0.0002771100000000, 0.0009370200000000 ] - [ -0.0053414000000000, 0.0061053700000000, -0.0035735900000000 ] - [ -0.0002031000000000, -0.0003420300000000, -0.0001169400000000 ] - [ -0.0000866400000000, -0.0005493600000000, -0.0002188200000000 ] - [ 0.0064844500000000, 0.0040941300000000, -0.0033758500000000 ] - [ -0.0000449400000000, 0.0001944400000000, -0.0006199000000000 ] - [ 0.0002060400000000, -0.0004120400000000, -0.0002843800000000 ] - [ 0.0001162100000000, -0.0003485200000000, -0.0001534000000000 ] - [ -0.0002883400000000, 0.0005308200000000, 0.0001257600000000 ] - [ -0.0002259100000000, 0.0004513100000000, 0.0001509300000000 ] - [ -0.0001785200000000, 0.0004939500000000, 0.0000657100000000 ] - [ -0.0002221700000000, 0.0002890900000000, 0.0000256700000000 ] - [ -0.0067906700000000, -0.0040829000000000, -0.0042463400000000 ] - [ -0.0000046600000000, 0.0003348400000000, -0.0000435700000000 ] - [ 0.0018301500000000, -0.0058614300000000, -0.0104415200000000 ] - [ -0.0000529700000000, -0.0004014200000000, -0.0004825300000000 ] - [ 0.0000000000000000, -0.0006164400000000, 0.0002557300000000 ] - [ 0.0000000000000000, -0.0006274400000000, 0.0002638300000000 ] - [ -0.0000603000000000, -0.0001924900000000, 0.0001178700000000 ] - [ -0.0000548800000000, -0.0001911900000000, 0.0001200900000000 ] - [ 0.0002883400000000, 0.0005308200000000, 0.0001257600000000 ] - [ 0.0002259100000000, 0.0004513100000000, 0.0001509300000000 ] - [ -0.0007776900000000, 0.0002771100000000, 0.0009370200000000 ] - [ 0.0053414000000000, 0.0061053700000000, -0.0035735900000000 ] - [ -0.0064844500000000, 0.0040941300000000, -0.0033758500000000 ] - [ 0.0000449400000000, 0.0001944400000000, -0.0006199000000000 ] - [ -0.0050717900000000, -0.0027913100000000, -0.0007215100000000 ] - [ 0.0000172200000000, -0.0004213900000000, 0.0000415600000000 ] - [ 0.0001785200000000, 0.0004939500000000, 0.0000657100000000 ] - [ 0.0002221700000000, 0.0002890900000000, 0.0000256700000000 ] - [ 0.0000000000000000, 0.0006168300000000, 0.0002559400000000 ] - [ 0.0000000000000000, 0.0006220800000000, 0.0002559400000000 ] - [ 0.0003002500000000, -0.0005148100000000, 0.0001306500000000 ] - [ 0.0002760500000000, -0.0005324800000000, 0.0001101100000000 ] - [ 0.0067906700000000, -0.0040829000000000, -0.0042463400000000 ] - [ 0.0000046600000000, 0.0003348400000000, -0.0000435700000000 ] - [ 0.0000602900000000, 0.0001909800000000, 0.0001178900000000 ] - [ 0.0000540900000000, 0.0001973500000000, 0.0001126900000000 ] - [ -0.0002060400000000, -0.0004120400000000, -0.0002843800000000 ] - [ -0.0001162100000000, -0.0003485200000000, -0.0001534000000000 ] - [ 0.0000596600000000, -0.0002483100000000, 0.0000696200000000 ] - [ 0.0000588700000000, -0.0002705300000000, 0.0000850100000000 ] - [ 0.0002031000000000, -0.0003420300000000, -0.0001169400000000 ] - [ 0.0000866400000000, -0.0005493600000000, -0.0002188200000000 ] - [ 0.0004404300000000, 0.0003572300000000, -0.0005628500000000 ] - [ 0.0003040300000000, 0.0000166100000000, -0.0006576100000000 ] - [ -0.0001195400000000, 0.0004340800000000, 0.0000151600000000 ] - [ -0.0003995700000000, 0.0002003700000000, 0.0002057100000000 ] - [ 0.0000578400000000, 0.0002472600000000, 0.0000645500000000 ] - [ 0.0000567300000000, 0.0002685800000000, 0.0000758100000000 ] - [ 0.0000603000000000, -0.0001924900000000, 0.0001178700000000 ] - [ 0.0000548800000000, -0.0001911900000000, 0.0001200900000000 ] - [ 0.0000000000000000, -0.0031510300000000, 0.0006173000000000 ] - [ 0.0000000000000000, -0.0001529400000000, -0.0001608100000000 ] - [ -0.0018301500000000, -0.0058614300000000, -0.0104415200000000 ] - [ 0.0000529700000000, -0.0004014200000000, -0.0004825300000000 ]