# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/54fa3852-bf33-404f-ae6d-4b2a90289372/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 TlBS2 / R-3m (166) / materials id 8946](https://mdr.nims.go.jp/datasets/ddef7b54-5fcc-46cb-936e-d903bfe69cba) ## 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: "R-3m" number: 166 Hall_symbol: "-R 3 2\""primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.933812493333338, 2.848537973333330, 5.756843726666660 ] # a - [ -4.933812496666661, 2.848537973333330, 5.756843726666660 ] # b - [ 0.000000003333338, -5.697075946666669, 5.756843726666660 ] # c points: - symbol: B # 1 coordinates: [ 0.897293890000000, 0.588906320000001, 0.897293890000000 ] mass: 10.811000 - symbol: B # 2 coordinates: [ 0.897293890000000, 0.897293900000001, 0.588906310000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.588906310000000, 0.897293900000001, 0.897293890000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.102706110000000, 0.102706090000003, 0.411093690000000 ] mass: 10.811000 - symbol: B # 5 coordinates: [ 0.411093690000000, 0.102706090000003, 0.102706110000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.102706110000000, 0.411093670000003, 0.102706110000000 ] mass: 10.811000 - symbol: S # 7 coordinates: [ 0.030504850000000, 0.659476880000003, 0.030504850000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.659476880000000, 0.030504850000003, 0.030504850000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.030504850000000, 0.030504850000003, 0.659476880000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.340523120000000, 0.969495160000001, 0.969495160000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.969495160000000, 0.969495160000001, 0.340523120000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.969495160000000, 0.340523120000001, 0.969495160000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.026308250000000, 0.348030330000003, 0.348030320000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.348030320000000, 0.348030330000003, 0.026308250000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.348030320000000, 0.026308260000003, 0.348030320000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.651969680000000, 0.973691730000001, 0.651969680000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.973691740000000, 0.651969670000001, 0.651969680000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.651969680000000, 0.651969670000001, 0.973691740000000 ] mass: 32.065000 - symbol: Tl # 19 coordinates: [ 0.672760880000000, 0.276867320000000, 0.276867300000000 ] mass: 204.383300 - symbol: Tl # 20 coordinates: [ 0.276867300000000, 0.672760900000000, 0.276867300000000 ] mass: 204.383300 - symbol: Tl # 21 coordinates: [ 0.276867300000000, 0.276867320000000, 0.672760880000000 ] mass: 204.383300 - symbol: Tl # 22 coordinates: [ 0.327239120000000, 0.723132700000001, 0.723132700000000 ] mass: 204.383300 - symbol: Tl # 23 coordinates: [ 0.723132700000000, 0.327239120000001, 0.723132700000000 ] mass: 204.383300 - symbol: Tl # 24 coordinates: [ 0.723132700000000, 0.723132700000001, 0.327239120000000 ] mass: 204.383300 reciprocal_lattice: # without 2pi - [ 0.101341508317697, 0.058509547141665, 0.057902098642921 ] # a* - [ -0.101341508317697, 0.058509547023076, 0.057902098642921 ] # b* - [ -0.000000000000000, -0.117019094164741, 0.057902098642921 ] # c*unit_cell: lattice: - [ 9.867624989999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.933812500000000, 8.545613919999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.270531179999999 ] # c points: - symbol: B # 1 coordinates: [ 0.436129190000000, 0.563870810000000, 0.461164700000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.436129190000000, 0.872258390000000, 0.461164700000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.127741610000000, 0.563870810000000, 0.461164700000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.230537480000000, 0.461074940000000, 0.872168630000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.538925060000000, 0.769462520000000, 0.872168630000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.230537480000000, 0.769462520000000, 0.872168630000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.102795860000000, 0.897204140000000, 0.794498040000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 8 coordinates: [ 0.102795860000000, 0.205591730000000, 0.794498040000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 9 coordinates: [ 0.794408270000000, 0.897204140000000, 0.794498040000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 10 coordinates: [ 0.897204140000000, 0.794408270000000, 0.205501960000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 11 coordinates: [ 0.205591730000000, 0.102795860000000, 0.205501960000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 12 coordinates: [ 0.897204140000000, 0.102795860000000, 0.205501960000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 13 coordinates: [ 0.769462520000000, 0.230537480000000, 0.127831370000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 14 coordinates: [ 0.769462520000000, 0.538925060000000, 0.127831370000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 15 coordinates: [ 0.461074940000000, 0.230537480000000, 0.127831370000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 16 coordinates: [ 0.563870810000000, 0.127741610000000, 0.538835300000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 17 coordinates: [ 0.872258390000000, 0.436129190000000, 0.538835300000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 18 coordinates: [ 0.563870810000000, 0.436129190000000, 0.538835300000000 ] mass: 10.811000 reduced_to: 6 - symbol: S # 19 coordinates: [ 0.123675990000000, 0.876324010000000, 0.906828860000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.752648020000000, 0.876324010000000, 0.906828860000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.123675990000000, 0.247351980000000, 0.906828860000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.914018640000000, 0.457009320000000, 0.426504480000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.542990680000000, 0.085981360000000, 0.426504480000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.542990680000000, 0.457009320000000, 0.426504480000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.118851950000000, 0.559425980000000, 0.907456300000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.440574020000000, 0.881148050000000, 0.907456300000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.440574020000000, 0.559425980000000, 0.907456300000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.226092650000000, 0.773907350000000, 0.425877030000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.547814710000000, 0.773907350000000, 0.425877030000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.226092650000000, 0.452185290000000, 0.425877030000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.790342650000000, 0.209657350000000, 0.240162190000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 32 coordinates: [ 0.419314690000000, 0.209657350000000, 0.240162190000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 33 coordinates: [ 0.790342650000000, 0.580685310000000, 0.240162190000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 34 coordinates: [ 0.580685310000000, 0.790342650000000, 0.759837810000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 35 coordinates: [ 0.209657350000000, 0.419314690000000, 0.759837810000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 36 coordinates: [ 0.209657350000000, 0.790342650000000, 0.759837810000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 37 coordinates: [ 0.785518620000000, 0.892759320000000, 0.240789640000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 38 coordinates: [ 0.107240680000000, 0.214481380000000, 0.240789640000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 39 coordinates: [ 0.107240680000000, 0.892759320000000, 0.240789640000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 40 coordinates: [ 0.892759320000000, 0.107240680000000, 0.759210360000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 41 coordinates: [ 0.214481380000000, 0.107240680000000, 0.759210360000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 42 coordinates: [ 0.892759320000000, 0.785518620000000, 0.759210360000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 43 coordinates: [ 0.457009320000000, 0.542990680000000, 0.573495520000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 44 coordinates: [ 0.085981360000000, 0.542990680000000, 0.573495520000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 45 coordinates: [ 0.457009320000000, 0.914018640000000, 0.573495520000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 46 coordinates: [ 0.247351980000000, 0.123675990000000, 0.093171140000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 47 coordinates: [ 0.876324010000000, 0.752648020000000, 0.093171140000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 48 coordinates: [ 0.876324010000000, 0.123675990000000, 0.093171140000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 49 coordinates: [ 0.452185290000000, 0.226092650000000, 0.574122970000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 50 coordinates: [ 0.773907350000000, 0.547814710000000, 0.574122970000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 51 coordinates: [ 0.773907350000000, 0.226092650000000, 0.574122970000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 52 coordinates: [ 0.559425980000000, 0.440574020000000, 0.092543700000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 53 coordinates: [ 0.881148050000000, 0.440574020000000, 0.092543700000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 54 coordinates: [ 0.559425980000000, 0.118851950000000, 0.092543700000000 ] mass: 32.065000 reduced_to: 30 - symbol: Tl # 55 coordinates: [ 0.597262380000000, 0.798631200000000, 0.075498500000000 ] mass: 204.383300 reduced_to: 55 - symbol: Tl # 56 coordinates: [ 0.201368800000000, 0.798631200000000, 0.075498500000000 ] mass: 204.383300 reduced_to: 56 - symbol: Tl # 57 coordinates: [ 0.201368800000000, 0.402737620000000, 0.075498500000000 ] mass: 204.383300 reduced_to: 57 - symbol: Tl # 58 coordinates: [ 0.069404280000000, 0.534702140000000, 0.257834840000000 ] mass: 204.383300 reduced_to: 58 - symbol: Tl # 59 coordinates: [ 0.465297860000000, 0.534702140000000, 0.257834840000000 ] mass: 204.383300 reduced_to: 59 - symbol: Tl # 60 coordinates: [ 0.465297860000000, 0.930595720000000, 0.257834840000000 ] mass: 204.383300 reduced_to: 60 - symbol: Tl # 61 coordinates: [ 0.263929050000000, 0.131964530000000, 0.408831830000000 ] mass: 204.383300 reduced_to: 55 - symbol: Tl # 62 coordinates: [ 0.868035470000000, 0.131964530000000, 0.408831830000000 ] mass: 204.383300 reduced_to: 56 - symbol: Tl # 63 coordinates: [ 0.868035470000000, 0.736070950000000, 0.408831830000000 ] mass: 204.383300 reduced_to: 57 - symbol: Tl # 64 coordinates: [ 0.736070950000000, 0.868035470000000, 0.591168170000000 ] mass: 204.383300 reduced_to: 58 - symbol: Tl # 65 coordinates: [ 0.131964530000000, 0.868035470000000, 0.591168170000000 ] mass: 204.383300 reduced_to: 59 - symbol: Tl # 66 coordinates: [ 0.131964530000000, 0.263929050000000, 0.591168170000000 ] mass: 204.383300 reduced_to: 60 - symbol: Tl # 67 coordinates: [ 0.930595720000000, 0.465297860000000, 0.742165160000000 ] mass: 204.383300 reduced_to: 55 - symbol: Tl # 68 coordinates: [ 0.534702140000000, 0.465297860000000, 0.742165160000000 ] mass: 204.383300 reduced_to: 56 - symbol: Tl # 69 coordinates: [ 0.534702140000000, 0.069404280000000, 0.742165160000000 ] mass: 204.383300 reduced_to: 57 - symbol: Tl # 70 coordinates: [ 0.402737620000000, 0.201368800000000, 0.924501500000000 ] mass: 204.383300 reduced_to: 58 - symbol: Tl # 71 coordinates: [ 0.798631200000000, 0.201368800000000, 0.924501500000000 ] mass: 204.383300 reduced_to: 59 - symbol: Tl # 72 coordinates: [ 0.798631200000000, 0.597262380000000, 0.924501500000000 ] mass: 204.383300 reduced_to: 60supercell: lattice: - [ 9.867624989999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.933812500000000, 8.545613919999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.270531179999999 ] # c points: - symbol: B # 1 coordinates: [ 0.436129190000000, 0.563870810000000, 0.461164700000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.436129190000000, 0.872258390000000, 0.461164700000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.127741610000000, 0.563870810000000, 0.461164700000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.230537480000000, 0.461074940000000, 0.872168630000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.538925060000000, 0.769462520000000, 0.872168630000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.230537480000000, 0.769462520000000, 0.872168630000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.102795860000000, 0.897204140000000, 0.794498040000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 8 coordinates: [ 0.102795860000000, 0.205591730000000, 0.794498040000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 9 coordinates: [ 0.794408270000000, 0.897204140000000, 0.794498040000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 10 coordinates: [ 0.897204140000000, 0.794408270000000, 0.205501960000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 11 coordinates: [ 0.205591730000000, 0.102795860000000, 0.205501960000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 12 coordinates: [ 0.897204140000000, 0.102795860000000, 0.205501960000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 13 coordinates: [ 0.769462520000000, 0.230537480000000, 0.127831370000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 14 coordinates: [ 0.769462520000000, 0.538925060000000, 0.127831370000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 15 coordinates: [ 0.461074940000000, 0.230537480000000, 0.127831370000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 16 coordinates: [ 0.563870810000000, 0.127741610000000, 0.538835300000000 ] mass: 10.811000 reduced_to: 4 - symbol: B # 17 coordinates: [ 0.872258390000000, 0.436129190000000, 0.538835300000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 18 coordinates: [ 0.563870810000000, 0.436129190000000, 0.538835300000000 ] mass: 10.811000 reduced_to: 6 - symbol: S # 19 coordinates: [ 0.123675990000000, 0.876324010000000, 0.906828860000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.752648020000000, 0.876324010000000, 0.906828860000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.123675990000000, 0.247351980000000, 0.906828860000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.914018640000000, 0.457009320000000, 0.426504480000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.542990680000000, 0.085981360000000, 0.426504480000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.542990680000000, 0.457009320000000, 0.426504480000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.118851950000000, 0.559425980000000, 0.907456300000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.440574020000000, 0.881148050000000, 0.907456300000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.440574020000000, 0.559425980000000, 0.907456300000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.226092650000000, 0.773907350000000, 0.425877030000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.547814710000000, 0.773907350000000, 0.425877030000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.226092650000000, 0.452185290000000, 0.425877030000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.790342650000000, 0.209657350000000, 0.240162190000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 32 coordinates: [ 0.419314690000000, 0.209657350000000, 0.240162190000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 33 coordinates: [ 0.790342650000000, 0.580685310000000, 0.240162190000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 34 coordinates: [ 0.580685310000000, 0.790342650000000, 0.759837810000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 35 coordinates: [ 0.209657350000000, 0.419314690000000, 0.759837810000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 36 coordinates: [ 0.209657350000000, 0.790342650000000, 0.759837810000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 37 coordinates: [ 0.785518620000000, 0.892759320000000, 0.240789640000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 38 coordinates: [ 0.107240680000000, 0.214481380000000, 0.240789640000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 39 coordinates: [ 0.107240680000000, 0.892759320000000, 0.240789640000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 40 coordinates: [ 0.892759320000000, 0.107240680000000, 0.759210360000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 41 coordinates: [ 0.214481380000000, 0.107240680000000, 0.759210360000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 42 coordinates: [ 0.892759320000000, 0.785518620000000, 0.759210360000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 43 coordinates: [ 0.457009320000000, 0.542990680000000, 0.573495520000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 44 coordinates: [ 0.085981360000000, 0.542990680000000, 0.573495520000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 45 coordinates: [ 0.457009320000000, 0.914018640000000, 0.573495520000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 46 coordinates: [ 0.247351980000000, 0.123675990000000, 0.093171140000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 47 coordinates: [ 0.876324010000000, 0.752648020000000, 0.093171140000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 48 coordinates: [ 0.876324010000000, 0.123675990000000, 0.093171140000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 49 coordinates: [ 0.452185290000000, 0.226092650000000, 0.574122970000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 50 coordinates: [ 0.773907350000000, 0.547814710000000, 0.574122970000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 51 coordinates: [ 0.773907350000000, 0.226092650000000, 0.574122970000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 52 coordinates: [ 0.559425980000000, 0.440574020000000, 0.092543700000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 53 coordinates: [ 0.881148050000000, 0.440574020000000, 0.092543700000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 54 coordinates: [ 0.559425980000000, 0.118851950000000, 0.092543700000000 ] mass: 32.065000 reduced_to: 30 - symbol: Tl # 55 coordinates: [ 0.597262380000000, 0.798631200000000, 0.075498500000000 ] mass: 204.383300 reduced_to: 55 - symbol: Tl # 56 coordinates: [ 0.201368800000000, 0.798631200000000, 0.075498500000000 ] mass: 204.383300 reduced_to: 56 - symbol: Tl # 57 coordinates: [ 0.201368800000000, 0.402737620000000, 0.075498500000000 ] mass: 204.383300 reduced_to: 57 - symbol: Tl # 58 coordinates: [ 0.069404280000000, 0.534702140000000, 0.257834840000000 ] mass: 204.383300 reduced_to: 58 - symbol: Tl # 59 coordinates: [ 0.465297860000000, 0.534702140000000, 0.257834840000000 ] mass: 204.383300 reduced_to: 59 - symbol: Tl # 60 coordinates: [ 0.465297860000000, 0.930595720000000, 0.257834840000000 ] mass: 204.383300 reduced_to: 60 - symbol: Tl # 61 coordinates: [ 0.263929050000000, 0.131964530000000, 0.408831830000000 ] mass: 204.383300 reduced_to: 55 - symbol: Tl # 62 coordinates: [ 0.868035470000000, 0.131964530000000, 0.408831830000000 ] mass: 204.383300 reduced_to: 56 - symbol: Tl # 63 coordinates: [ 0.868035470000000, 0.736070950000000, 0.408831830000000 ] mass: 204.383300 reduced_to: 57 - symbol: Tl # 64 coordinates: [ 0.736070950000000, 0.868035470000000, 0.591168170000000 ] mass: 204.383300 reduced_to: 58 - symbol: Tl # 65 coordinates: [ 0.131964530000000, 0.868035470000000, 0.591168170000000 ] mass: 204.383300 reduced_to: 59 - symbol: Tl # 66 coordinates: [ 0.131964530000000, 0.263929050000000, 0.591168170000000 ] mass: 204.383300 reduced_to: 60 - symbol: Tl # 67 coordinates: [ 0.930595720000000, 0.465297860000000, 0.742165160000000 ] mass: 204.383300 reduced_to: 55 - symbol: Tl # 68 coordinates: [ 0.534702140000000, 0.465297860000000, 0.742165160000000 ] mass: 204.383300 reduced_to: 56 - symbol: Tl # 69 coordinates: [ 0.534702140000000, 0.069404280000000, 0.742165160000000 ] mass: 204.383300 reduced_to: 57 - symbol: Tl # 70 coordinates: [ 0.402737620000000, 0.201368800000000, 0.924501500000000 ] mass: 204.383300 reduced_to: 58 - symbol: Tl # 71 coordinates: [ 0.798631200000000, 0.201368800000000, 0.924501500000000 ] mass: 204.383300 reduced_to: 59 - symbol: Tl # 72 coordinates: [ 0.798631200000000, 0.597262380000000, 0.924501500000000 ] mass: 204.383300 reduced_to: 60displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1718662100000000, 0.0036374600000000, -0.0012180700000000 ] - [ -0.0038718600000000, -0.0079581000000000, 0.0046993800000000 ] - [ 0.0133560900000000, -0.0020642500000000, -0.0011714900000000 ] - [ 0.0000806300000000, 0.0009252100000000, -0.0000300300000000 ] - [ -0.0007376200000000, -0.0004498300000000, 0.0001105600000000 ] - [ 0.0006411600000000, -0.0003691100000000, -0.0000811800000000 ] - [ -0.0005473100000000, 0.0004985800000000, 0.0001711300000000 ] - [ 0.0001575800000000, -0.0009450300000000, -0.0000230100000000 ] - [ 0.0008243300000000, 0.0004896400000000, 0.0001837900000000 ] - [ -0.0004208700000000, 0.0010095300000000, -0.0000129400000000 ] - [ -0.0017931900000000, -0.0002105500000000, -0.0000154300000000 ] - [ 0.0011575700000000, -0.0004025000000000, 0.0000142900000000 ] - [ -0.0005458300000000, 0.0004986000000000, 0.0002739100000000 ] - [ 0.0001002500000000, -0.0009121000000000, -0.0001478000000000 ] - [ 0.0008262100000000, 0.0005576300000000, -0.0003978200000000 ] - [ 0.0014491700000000, 0.0002991600000000, 0.0003577400000000 ] - [ 0.0007728200000000, 0.0000854500000000, -0.0007862700000000 ] - [ 0.0111047400000000, -0.0080942100000000, 0.0129945800000000 ] - [ -0.0003748000000000, 0.0001564400000000, 0.0002583300000000 ] - [ 0.0002933200000000, 0.0001583400000000, 0.0001576600000000 ] - [ -0.0000313700000000, -0.0003625600000000, 0.0000884600000000 ] - [ -0.0011997900000000, 0.0003916000000000, 0.0002163400000000 ] - [ 0.0015345900000000, -0.0014231200000000, -0.0008108400000000 ] - [ 0.0650571000000000, -0.0257381600000000, -0.0207900900000000 ] - [ 0.0000297200000000, -0.0000402500000000, -0.0001472100000000 ] - [ 0.0000954600000000, 0.0000825200000000, -0.0002221600000000 ] - [ 0.0001365300000000, -0.0000270700000000, -0.0002196200000000 ] - [ -0.0011637100000000, 0.0025408400000000, 0.0002829600000000 ] - [ 0.0220686100000000, 0.0104725400000000, -0.0083618100000000 ] - [ 0.0548618200000000, 0.0243107300000000, 0.0167488400000000 ] - [ -0.0005076600000000, 0.0001545900000000, 0.0000616800000000 ] - [ 0.0005378800000000, 0.0000879700000000, 0.0007450800000000 ] - [ -0.0000675900000000, -0.0003316800000000, 0.0005930800000000 ] - [ -0.0004256500000000, -0.0001898400000000, -0.0004771300000000 ] - [ -0.0000824700000000, 0.0006391500000000, -0.0004026100000000 ] - [ 0.0003495400000000, -0.0002045600000000, -0.0002277500000000 ] - [ 0.0002147100000000, -0.0001573800000000, -0.0002927200000000 ] - [ 0.0004459600000000, -0.0005259300000000, -0.0003568800000000 ] - [ 0.0002045800000000, 0.0000416600000000, 0.0000297000000000 ] - [ -0.0002171200000000, -0.0001282100000000, 0.0000246000000000 ] - [ 0.0002021500000000, -0.0001305600000000, 0.0002149500000000 ] - [ -0.0000863600000000, -0.0000901200000000, -0.0000328900000000 ] - [ 0.0095292800000000, 0.0015271900000000, 0.0018425700000000 ] - [ -0.0018039000000000, 0.0006625200000000, 0.0025286300000000 ] - [ -0.0000195200000000, -0.0002424700000000, 0.0001103400000000 ] - [ -0.0000039100000000, -0.0002172000000000, -0.0003133100000000 ] - [ 0.0000732500000000, 0.0002524200000000, -0.0003290100000000 ] - [ 0.0001866400000000, -0.0002332700000000, -0.0005329600000000 ] - [ -0.0003517100000000, 0.0011109200000000, -0.0019548000000000 ] - [ -0.0015683700000000, -0.0005146600000000, -0.0013033300000000 ] - [ -0.0004742900000000, -0.0000120600000000, 0.0002745700000000 ] - [ -0.0000930200000000, -0.0000436100000000, 0.0001063700000000 ] - [ -0.0002376200000000, -0.0000600800000000, -0.0002186000000000 ] - [ -0.0002068200000000, -0.0001038100000000, 0.0002154900000000 ] - [ -0.0002066500000000, -0.0000951600000000, 0.0005864200000000 ] - [ 0.0002750700000000, -0.0002503900000000, 0.0005560700000000 ] - [ -0.0000983400000000, 0.0002937900000000, 0.0007009500000000 ] - [ 0.0020076100000000, -0.0001380700000000, 0.0008031300000000 ] - [ -0.0023256100000000, 0.0003887500000000, -0.0014039200000000 ] - [ 0.0000513100000000, -0.0004007700000000, -0.0007699400000000 ] - [ -0.0040279500000000, -0.0028054600000000, -0.0002381600000000 ] - [ 0.0032466200000000, 0.0006531600000000, 0.0004276100000000 ] - [ 0.0026137200000000, 0.0024612800000000, -0.0004523900000000 ] - [ 0.0009809800000000, 0.0015520300000000, 0.0000665000000000 ] - [ -0.0001854300000000, -0.0004259100000000, -0.0005252400000000 ] - [ -0.0011508800000000, 0.0003888800000000, -0.0034923300000000 ] - [ -0.0000470400000000, -0.0000553900000000, 0.0001837800000000 ] - [ 0.0010988400000000, -0.0000935800000000, 0.0014676200000000 ] - [ 0.0001168300000000, 0.0001513600000000, 0.0007145400000000 ] - [ 0.0002775700000000, 0.0001176700000000, -0.0003662300000000 ] - [ -0.0002818400000000, 0.0002000400000000, -0.0003356400000000 ] - [ 0.0000620700000000, -0.0003506200000000, -0.0003500400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1709815200000000, 0.0016390400000000, 0.0040437900000000 ] - [ 0.0038782300000000, 0.0064151900000000, -0.0045099400000000 ] - [ -0.0122012400000000, 0.0027930800000000, 0.0012809800000000 ] - [ -0.0000834400000000, 0.0006510400000000, -0.0001115300000000 ] - [ -0.0006274700000000, -0.0003338200000000, -0.0002578900000000 ] - [ 0.0007176700000000, -0.0004145200000000, -0.0000614900000000 ] - [ -0.0008140400000000, 0.0002853500000000, -0.0000299200000000 ] - [ -0.0001534400000000, -0.0006296700000000, 0.0001652900000000 ] - [ 0.0005404700000000, 0.0002918100000000, -0.0000424300000000 ] - [ 0.0004099400000000, 0.0005677400000000, -0.0001338500000000 ] - [ 0.0004260600000000, -0.0005704600000000, -0.0001308300000000 ] - [ 0.0001970800000000, -0.0003844900000000, -0.0001571500000000 ] - [ -0.0008126300000000, 0.0002853700000000, -0.0001284100000000 ] - [ -0.0000954300000000, -0.0006633300000000, 0.0002883400000000 ] - [ 0.0005423000000000, 0.0002265800000000, 0.0005370400000000 ] - [ -0.0014487900000000, 0.0012693200000000, -0.0005131100000000 ] - [ -0.0021408000000000, -0.0008754900000000, 0.0006035400000000 ] - [ -0.0098083100000000, 0.0072639700000000, -0.0130882100000000 ] - [ -0.0002951000000000, 0.0002303500000000, 0.0002878800000000 ] - [ 0.0003786600000000, 0.0002273200000000, 0.0003902400000000 ] - [ 0.0000330000000000, -0.0004120500000000, 0.0004585500000000 ] - [ 0.0004499300000000, -0.0007451300000000, -0.0007227400000000 ] - [ -0.0015555700000000, 0.0021991100000000, 0.0002859900000000 ] - [ -0.0614794000000000, 0.0234486000000000, 0.0189229500000000 ] - [ -0.0001087400000000, -0.0000115300000000, -0.0000350100000000 ] - [ -0.0000917200000000, 0.0000119200000000, 0.0000418800000000 ] - [ -0.0000593400000000, -0.0000177700000000, 0.0000454800000000 ] - [ 0.0010870200000000, -0.0025007300000000, -0.0001210200000000 ] - [ -0.0220422100000000, -0.0109508700000000, 0.0086065700000000 ] - [ -0.0577452800000000, -0.0264761700000000, -0.0178980000000000 ] - [ -0.0001618500000000, 0.0002327500000000, 0.0004868900000000 ] - [ 0.0001328100000000, 0.0002966500000000, -0.0001881500000000 ] - [ 0.0000693800000000, -0.0004433500000000, -0.0000375200000000 ] - [ -0.0002465700000000, -0.0001932300000000, -0.0000643100000000 ] - [ 0.0000791300000000, 0.0001335000000000, -0.0001473100000000 ] - [ 0.0003204000000000, -0.0001814900000000, -0.0003218900000000 ] - [ -0.0002846700000000, 0.0001064100000000, 0.0001181300000000 ] - [ -0.0004352000000000, 0.0006190100000000, 0.0001844700000000 ] - [ -0.0001256000000000, -0.0000863000000000, -0.0001965400000000 ] - [ 0.0001404700000000, 0.0001758300000000, 0.0001475400000000 ] - [ -0.0001274300000000, 0.0001803700000000, -0.0000410800000000 ] - [ 0.0000838100000000, 0.0000004500000000, 0.0002091600000000 ] - [ -0.0102635100000000, -0.0011028800000000, -0.0013714500000000 ] - [ 0.0024682800000000, -0.0002921200000000, -0.0020068700000000 ] - [ 0.0000148000000000, -0.0005119700000000, 0.0004291300000000 ] - [ -0.0006680500000000, -0.0001687600000000, -0.0002282900000000 ] - [ -0.0000737000000000, 0.0005225200000000, -0.0002145100000000 ] - [ 0.0004857300000000, -0.0001528800000000, -0.0000109800000000 ] - [ 0.0002609700000000, -0.0011498900000000, 0.0017417200000000 ] - [ 0.0015302000000000, 0.0006226100000000, 0.0010983000000000 ] - [ 0.0005581800000000, -0.0000347000000000, -0.0004546000000000 ] - [ 0.0000101800000000, 0.0000907800000000, 0.0000762400000000 ] - [ 0.0003144200000000, 0.0001124300000000, 0.0004020900000000 ] - [ 0.0001997000000000, 0.0000124700000000, -0.0000332100000000 ] - [ -0.0003320800000000, -0.0002194400000000, 0.0003275100000000 ] - [ 0.0002623400000000, -0.0000597600000000, 0.0003594500000000 ] - [ 0.0001014600000000, 0.0003305300000000, 0.0002161700000000 ] - [ -0.0014769900000000, 0.0004414800000000, -0.0017114300000000 ] - [ 0.0017925600000000, -0.0000723000000000, 0.0004919900000000 ] - [ -0.0000458800000000, -0.0002185300000000, -0.0001445600000000 ] - [ 0.0034529600000000, 0.0024398800000000, 0.0011104000000000 ] - [ -0.0026629800000000, -0.0009797300000000, 0.0004520100000000 ] - [ -0.0025725200000000, -0.0017823700000000, 0.0013215200000000 ] - [ -0.0004059200000000, -0.0012194900000000, -0.0009429500000000 ] - [ -0.0003955000000000, 0.0007642300000000, -0.0003450500000000 ] - [ 0.0011529500000000, -0.0010682000000000, 0.0026231900000000 ] - [ -0.0004848100000000, -0.0002553000000000, 0.0007367100000000 ] - [ -0.0005739800000000, -0.0002060600000000, -0.0005850100000000 ] - [ -0.0001132000000000, 0.0004631400000000, 0.0002066600000000 ] - [ 0.0002610600000000, 0.0001982000000000, -0.0005535300000000 ] - [ -0.0002536100000000, 0.0001087900000000, -0.0005836500000000 ] - [ -0.0000666600000000, -0.0002730400000000, -0.0005733900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0037150100000000, 0.0021448600000000, -0.1265348600000000 ] - [ 0.0058143400000000, 0.0011711500000000, -0.0028173300000000 ] - [ 0.0018929300000000, -0.0056209400000000, -0.0028173300000000 ] - [ -0.0001440500000000, 0.0009183400000000, 0.0002905900000000 ] - [ -0.0008673300000000, -0.0003344200000000, 0.0002905900000000 ] - [ 0.0006697800000000, -0.0003867000000000, -0.0001633700000000 ] - [ -0.0004801800000000, 0.0002772300000000, 0.0004649300000000 ] - [ 0.0002530700000000, -0.0011800100000000, 0.0003298200000000 ] - [ 0.0011484500000000, 0.0003708400000000, 0.0003298200000000 ] - [ 0.0000008300000000, 0.0008543700000000, 0.0004885400000000 ] - [ -0.0007394900000000, -0.0004279100000000, 0.0004885400000000 ] - [ 0.0007625100000000, -0.0004402400000000, 0.0003846300000000 ] - [ -0.0005784200000000, 0.0003339500000000, 0.0004678400000000 ] - [ -0.0002050000000000, -0.0007756200000000, 0.0003302600000000 ] - [ 0.0005692000000000, 0.0005653500000000, 0.0003302600000000 ] - [ 0.0011354800000000, 0.0006412000000000, -0.0023701700000000 ] - [ 0.0000124400000000, -0.0013039600000000, -0.0023701700000000 ] - [ 0.0136697800000000, -0.0078922500000000, -0.0038248200000000 ] - [ -0.0004451500000000, 0.0002570100000000, 0.0001339000000000 ] - [ 0.0002556500000000, 0.0001431200000000, -0.0001291900000000 ] - [ 0.0000038800000000, -0.0002929600000000, -0.0001291900000000 ] - [ -0.0036634400000000, 0.0007966300000000, -0.0001527500000000 ] - [ -0.0025216300000000, 0.0027743200000000, -0.0001527500000000 ] - [ -0.0200128600000000, 0.0115544300000000, 0.0223259600000000 ] - [ 0.0002582300000000, -0.0000899300000000, -0.0002569300000000 ] - [ 0.0002070000000000, -0.0001786700000000, -0.0002569300000000 ] - [ 0.0005271900000000, -0.0003043700000000, -0.0009076900000000 ] - [ -0.0012162800000000, 0.0007022200000000, 0.0010729900000000 ] - [ -0.0059606500000000, -0.0245499600000000, 0.0241786400000000 ] - [ 0.0182805600000000, 0.0174370500000000, 0.0241786400000000 ] - [ -0.0004159500000000, 0.0002401500000000, -0.0002161500000000 ] - [ 0.0004785000000000, -0.0000017000000000, 0.0000787100000000 ] - [ 0.0002407200000000, -0.0004135500000000, 0.0000787100000000 ] - [ -0.0004806500000000, -0.0004023300000000, -0.0008551700000000 ] - [ 0.0001081100000000, 0.0006174200000000, -0.0008551700000000 ] - [ 0.0004206000000000, -0.0002428300000000, -0.0001653600000000 ] - [ -0.0002584700000000, -0.0000846100000000, -0.0004057500000000 ] - [ -0.0000559600000000, 0.0002661500000000, -0.0004057500000000 ] - [ 0.0000249100000000, -0.0000143800000000, -0.0004387400000000 ] - [ -0.0000874500000000, 0.0000504900000000, -0.0002741400000000 ] - [ -0.0000808600000000, 0.0001994700000000, -0.0000710300000000 ] - [ -0.0002131700000000, -0.0000297100000000, -0.0000710300000000 ] - [ 0.0021119000000000, -0.0012193100000000, 0.0506954300000000 ] - [ -0.0009115600000000, 0.0010556900000000, 0.0026525400000000 ] - [ -0.0013700300000000, 0.0002615900000000, 0.0026525400000000 ] - [ -0.0002055300000000, -0.0001280100000000, -0.0007868800000000 ] - [ 0.0000080900000000, 0.0002420000000000, -0.0007868800000000 ] - [ 0.0003122700000000, -0.0001802900000000, -0.0006702700000000 ] - [ -0.0018569700000000, -0.0005483700000000, 0.0035465300000000 ] - [ -0.0004535800000000, 0.0018823700000000, 0.0035465300000000 ] - [ -0.0000774900000000, 0.0000447400000000, 0.0011490100000000 ] - [ 0.0001720000000000, -0.0000993100000000, -0.0005639800000000 ] - [ 0.0001112200000000, 0.0001159300000000, -0.0001980000000000 ] - [ -0.0000447900000000, -0.0001542800000000, -0.0001980000000000 ] - [ -0.0001330600000000, -0.0000588900000000, 0.0009702800000000 ] - [ 0.0001649000000000, -0.0000952000000000, 0.0008745400000000 ] - [ -0.0000155400000000, 0.0001446800000000, 0.0009702800000000 ] - [ 0.0001899400000000, 0.0002895000000000, -0.0001536700000000 ] - [ -0.0018329900000000, 0.0010582800000000, 0.0035242300000000 ] - [ -0.0001557400000000, -0.0003092400000000, -0.0001536700000000 ] - [ -0.0001621400000000, 0.0007585900000000, 0.0004518000000000 ] - [ 0.0008249900000000, -0.0004763100000000, 0.0006450300000000 ] - [ -0.0007380300000000, -0.0002388800000000, 0.0004518000000000 ] - [ 0.0011859200000000, 0.0043502100000000, -0.0014201300000000 ] - [ 0.0000778900000000, -0.0000449700000000, -0.0012676500000000 ] - [ -0.0031744300000000, -0.0032021500000000, -0.0014201300000000 ] - [ -0.0003745100000000, -0.0000904300000000, 0.0001539300000000 ] - [ 0.0017307400000000, -0.0009992400000000, 0.0054179300000000 ] - [ -0.0001089400000000, 0.0003695500000000, 0.0001539300000000 ] - [ 0.0003782200000000, -0.0000184300000000, 0.0001242600000000 ] - [ -0.0004499500000000, 0.0002597800000000, -0.0000871900000000 ] - [ 0.0002050700000000, -0.0003183300000000, 0.0001242600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015612600000000, -0.0009013900000000, 0.1215877300000000 ] - [ -0.0058463900000000, -0.0027303700000000, 0.0028973500000000 ] - [ -0.0005586200000000, 0.0064283100000000, 0.0028973500000000 ] - [ 0.0001428900000000, 0.0006586200000000, -0.0004329200000000 ] - [ -0.0004989400000000, -0.0004530500000000, -0.0004329200000000 ] - [ 0.0006895400000000, -0.0003981000000000, 0.0000235200000000 ] - [ -0.0008825600000000, 0.0005095500000000, -0.0003260400000000 ] - [ -0.0002457000000000, -0.0003885700000000, -0.0001880700000000 ] - [ 0.0002136600000000, 0.0004070700000000, -0.0001880700000000 ] - [ -0.0000046900000000, 0.0007179900000000, -0.0006370200000000 ] - [ -0.0006241400000000, -0.0003549300000000, -0.0006370200000000 ] - [ 0.0005909900000000, -0.0003412100000000, -0.0005288700000000 ] - [ -0.0007795700000000, 0.0004500900000000, -0.0003231000000000 ] - [ 0.0002095300000000, -0.0007976400000000, -0.0001876100000000 ] - [ 0.0007955400000000, 0.0002173600000000, -0.0001876100000000 ] - [ -0.0011254100000000, 0.0009406900000000, 0.0021862400000000 ] - [ -0.0013773600000000, 0.0005042900000000, 0.0021862400000000 ] - [ -0.0124117200000000, 0.0071659100000000, 0.0036301900000000 ] - [ -0.0002267400000000, 0.0001309100000000, 0.0004145700000000 ] - [ 0.0004201300000000, 0.0002459000000000, 0.0006804300000000 ] - [ -0.0000028900000000, -0.0004867900000000, 0.0006804300000000 ] - [ 0.0029704300000000, -0.0011622300000000, -0.0003687700000000 ] - [ 0.0024917300000000, -0.0019913500000000, -0.0003687700000000 ] - [ 0.0209671900000000, -0.0121054100000000, -0.0228823300000000 ] - [ -0.0003426000000000, 0.0000377900000000, 0.0000777800000000 ] - [ -0.0002040300000000, 0.0002778100000000, 0.0000777800000000 ] - [ -0.0004542800000000, 0.0002622800000000, 0.0007415200000000 ] - [ 0.0011321000000000, -0.0006536200000000, -0.0008913100000000 ] - [ 0.0060774800000000, 0.0246983000000000, -0.0236671600000000 ] - [ -0.0183506100000000, -0.0176124000000000, -0.0236671600000000 ] - [ -0.0002569900000000, 0.0001483700000000, 0.0007698500000000 ] - [ 0.0001960400000000, 0.0003886100000000, 0.0004777200000000 ] - [ -0.0002385300000000, -0.0003640800000000, 0.0004777200000000 ] - [ -0.0001931400000000, 0.0000179600000000, 0.0003087300000000 ] - [ -0.0001121200000000, 0.0001582900000000, 0.0003087300000000 ] - [ 0.0002517000000000, -0.0001453200000000, -0.0003914900000000 ] - [ 0.0001817700000000, 0.0000295400000000, 0.0002376500000000 ] - [ 0.0000653100000000, -0.0001721900000000, 0.0002376500000000 ] - [ 0.0000572100000000, -0.0000330300000000, 0.0002717100000000 ] - [ 0.0000073500000000, -0.0000042400000000, 0.0004402600000000 ] - [ 0.0001592900000000, -0.0001514000000000, 0.0002443600000000 ] - [ 0.0002107600000000, -0.0000622500000000, 0.0002443600000000 ] - [ -0.0020006300000000, 0.0011550700000000, -0.0454037500000000 ] - [ 0.0015996200000000, -0.0006864100000000, -0.0021438900000000 ] - [ 0.0013942600000000, -0.0010421100000000, -0.0021438900000000 ] - [ -0.0004706800000000, -0.0002592100000000, 0.0002405200000000 ] - [ -0.0000108500000000, 0.0005372300000000, 0.0002405200000000 ] - [ 0.0003624200000000, -0.0002092500000000, 0.0001233300000000 ] - [ 0.0017354600000000, 0.0005227800000000, -0.0037274600000000 ] - [ 0.0004149900000000, -0.0017643500000000, -0.0037274600000000 ] - [ 0.0001624200000000, -0.0000937700000000, -0.0013176600000000 ] - [ -0.0002558100000000, 0.0001476900000000, 0.0007452900000000 ] - [ -0.0000310800000000, -0.0000628700000000, 0.0003803700000000 ] - [ 0.0000389100000000, 0.0000583500000000, 0.0003803700000000 ] - [ -0.0004059600000000, -0.0002567000000000, -0.0000575400000000 ] - [ 0.0003711500000000, -0.0002142900000000, 0.0000393300000000 ] - [ 0.0000193300000000, 0.0004799200000000, -0.0000575400000000 ] - [ 0.0003315400000000, 0.0000160400000000, -0.0007619500000000 ] - [ 0.0013244300000000, -0.0007646600000000, -0.0044994900000000 ] - [ 0.0001518800000000, -0.0002951500000000, -0.0007619500000000 ] - [ -0.0004088300000000, -0.0010864200000000, 0.0004277100000000 ] - [ -0.0002364500000000, 0.0001365100000000, 0.0002293200000000 ] - [ 0.0007364500000000, 0.0008972700000000, 0.0004277100000000 ] - [ -0.0005887800000000, -0.0040079200000000, 0.0005659900000000 ] - [ -0.0006662300000000, 0.0003846500000000, 0.0003939200000000 ] - [ 0.0031765700000000, 0.0025138600000000, 0.0005659900000000 ] - [ -0.0001587000000000, -0.0002199600000000, 0.0007733200000000 ] - [ -0.0012136600000000, 0.0007007000000000, -0.0045665200000000 ] - [ 0.0001111400000000, 0.0002474200000000, 0.0007733200000000 ] - [ 0.0001598600000000, 0.0003377600000000, -0.0010498500000000 ] - [ -0.0000850600000000, 0.0000491100000000, -0.0008318200000000 ] - [ -0.0002125800000000, -0.0003073300000000, -0.0010498500000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007199900000000, 0.0003562000000000, -0.0000358400000000 ] - [ -0.0000443700000000, -0.0007554800000000, 0.0001575000000000 ] - [ 0.0006401900000000, 0.0003740300000000, 0.0001547200000000 ] - [ -0.0007005300000000, 0.0002751100000000, 0.0007240400000000 ] - [ -0.0014758300000000, 0.0027794100000000, 0.0032499500000000 ] - [ 0.0654509000000000, -0.0259734000000000, -0.0212932300000000 ] - [ 0.0091996300000000, 0.0016916000000000, 0.0022081900000000 ] - [ -0.0005556800000000, -0.0003442300000000, -0.0000412700000000 ] - [ -0.0014533800000000, 0.0014837000000000, 0.0013378900000000 ] - [ 0.0001380600000000, 0.0009215700000000, 0.0001865000000000 ] - [ -0.0007743400000000, -0.0006451900000000, 0.0000736000000000 ] - [ 0.0006952700000000, -0.0004036900000000, 0.0000117900000000 ] - [ -0.0008534600000000, 0.0003547400000000, -0.0000081700000000 ] - [ 0.0000291600000000, -0.0007891900000000, 0.0001691800000000 ] - [ 0.0008855100000000, 0.0001795800000000, -0.0000690900000000 ] - [ 0.0000629300000000, 0.0006563300000000, -0.0001989300000000 ] - [ -0.0003511500000000, -0.0004058000000000, -0.0002089300000000 ] - [ 0.0005296500000000, -0.0004318500000000, -0.0001004300000000 ] - [ -0.1120554500000000, 0.0316044100000000, 0.0178439300000000 ] - [ 0.0046967600000000, 0.0009706800000000, -0.0003841100000000 ] - [ 0.0004670900000000, -0.0034248400000000, 0.0002600400000000 ] - [ -0.0005134600000000, -0.0002250600000000, -0.0001608600000000 ] - [ -0.0000030900000000, 0.0005205500000000, -0.0001481000000000 ] - [ 0.0003680900000000, -0.0001655000000000, -0.0001643600000000 ] - [ 0.0052626500000000, -0.0067395500000000, -0.0012668800000000 ] - [ 0.0192418600000000, -0.0072808900000000, -0.0054131100000000 ] - [ 0.0004442300000000, 0.0007189000000000, -0.0003118100000000 ] - [ -0.0000322300000000, 0.0000126900000000, 0.0000694900000000 ] - [ 0.0001533900000000, -0.0000132900000000, 0.0002301300000000 ] - [ 0.0001101700000000, -0.0000616700000000, 0.0001597600000000 ] - [ -0.0002660800000000, 0.0001911800000000, 0.0002624400000000 ] - [ 0.0003397800000000, 0.0003269200000000, 0.0000953000000000 ] - [ 0.0000333200000000, -0.0003068100000000, 0.0002879300000000 ] - [ -0.0010017000000000, -0.0003186600000000, -0.0011269300000000 ] - [ -0.0000826800000000, 0.0008503700000000, -0.0006513900000000 ] - [ 0.0024765900000000, -0.0043194200000000, -0.0118474400000000 ] - [ -0.0000812600000000, 0.0000187400000000, -0.0001157000000000 ] - [ -0.0000517500000000, 0.0000928300000000, -0.0001413600000000 ] - [ -0.0001656700000000, 0.0001576700000000, 0.0001918800000000 ] - [ 0.0001393000000000, -0.0002140100000000, 0.0000192300000000 ] - [ -0.0020307700000000, -0.0022426700000000, 0.0027488700000000 ] - [ 0.0067471500000000, 0.0029296100000000, 0.0126227300000000 ] - [ -0.0002622100000000, 0.0001890700000000, 0.0003907500000000 ] - [ 0.0003361500000000, 0.0001270700000000, 0.0001284800000000 ] - [ 0.0002042700000000, -0.0004006700000000, 0.0001092000000000 ] - [ -0.0004373800000000, -0.0002286800000000, -0.0003243300000000 ] - [ 0.0000191900000000, 0.0004935300000000, -0.0006205300000000 ] - [ 0.0003328200000000, -0.0001688800000000, -0.0003290800000000 ] - [ -0.0001076500000000, 0.0001006300000000, -0.0000225700000000 ] - [ -0.0001311700000000, 0.0001979900000000, 0.0000687300000000 ] - [ 0.0000493000000000, -0.0000166400000000, -0.0000266300000000 ] - [ 0.0002570200000000, 0.0005977200000000, -0.0000238900000000 ] - [ -0.0000441200000000, 0.0000066400000000, 0.0000157000000000 ] - [ 0.0000554600000000, 0.0000595500000000, 0.0001577700000000 ] - [ -0.0005378800000000, -0.0001444300000000, 0.0003839500000000 ] - [ 0.0002168400000000, -0.0006180700000000, 0.0012284100000000 ] - [ -0.0001033800000000, 0.0004985300000000, 0.0004874700000000 ] - [ 0.0002890400000000, 0.0002945900000000, -0.0005904200000000 ] - [ -0.0002623000000000, 0.0001789300000000, -0.0004815500000000 ] - [ -0.0000983100000000, -0.0003722200000000, -0.0006318300000000 ] - [ -0.0003272400000000, -0.0002616100000000, 0.0004004900000000 ] - [ 0.0002824200000000, -0.0001534400000000, 0.0003506800000000 ] - [ 0.0000853600000000, 0.0003970400000000, 0.0003485500000000 ] - [ -0.0003880600000000, 0.0002077300000000, -0.0008180500000000 ] - [ 0.0003428300000000, -0.0000773400000000, -0.0002476900000000 ] - [ -0.0000990700000000, -0.0001700300000000, -0.0005498400000000 ] - [ 0.0003017400000000, 0.0001482800000000, 0.0004601200000000 ] - [ -0.0001611200000000, -0.0004075400000000, 0.0004561700000000 ] - [ -0.0001158200000000, -0.0000837200000000, 0.0008118400000000 ] - [ 0.0038935700000000, 0.0041627000000000, -0.0007801000000000 ] - [ -0.0003374900000000, -0.0000116000000000, -0.0004993300000000 ] - [ 0.0018483900000000, 0.0030492000000000, 0.0007703600000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006380800000000, 0.0004288800000000, 0.0001799000000000 ] - [ 0.0000475500000000, -0.0008180100000000, -0.0000167200000000 ] - [ 0.0007233500000000, 0.0004099200000000, -0.0000127000000000 ] - [ 0.0007318000000000, 0.0012843300000000, -0.0008941300000000 ] - [ 0.0001744100000000, -0.0035773100000000, -0.0033815300000000 ] - [ -0.0610921900000000, 0.0232167700000000, 0.0197135300000000 ] - [ -0.0105909500000000, -0.0009394800000000, -0.0018922200000000 ] - [ 0.0005375500000000, -0.0012228200000000, 0.0002093300000000 ] - [ 0.0028168000000000, -0.0006946200000000, -0.0011754900000000 ] - [ -0.0001324800000000, 0.0006626800000000, -0.0003181800000000 ] - [ -0.0005928800000000, -0.0001481700000000, -0.0002109000000000 ] - [ 0.0006642300000000, -0.0003793700000000, -0.0001541900000000 ] - [ -0.0005055900000000, 0.0004317700000000, 0.0001480100000000 ] - [ -0.0000207400000000, -0.0007904800000000, -0.0000300300000000 ] - [ 0.0004784600000000, 0.0006033100000000, 0.0002108300000000 ] - [ -0.0000665900000000, 0.0009141800000000, 0.0000498500000000 ] - [ -0.0010132300000000, -0.0003761300000000, 0.0000588700000000 ] - [ 0.0008272100000000, -0.0003503800000000, -0.0000476400000000 ] - [ 0.1081865600000000, -0.0289687600000000, -0.0160278000000000 ] - [ -0.0040671500000000, -0.0006082500000000, 0.0009042600000000 ] - [ -0.0004647200000000, 0.0026762500000000, 0.0002593300000000 ] - [ -0.0001450100000000, -0.0001535700000000, -0.0003651300000000 ] - [ 0.0000014800000000, 0.0002390400000000, -0.0003768300000000 ] - [ 0.0002906800000000, -0.0002146800000000, -0.0003631300000000 ] - [ -0.0053943100000000, 0.0067116700000000, 0.0010938700000000 ] - [ -0.0189692300000000, 0.0072879500000000, 0.0051821300000000 ] - [ -0.0003864900000000, -0.0007555100000000, 0.0001229800000000 ] - [ -0.0000489800000000, 0.0000341100000000, 0.0001173700000000 ] - [ -0.0000761100000000, 0.0000633000000000, -0.0000433400000000 ] - [ -0.0001147500000000, -0.0000320800000000, 0.0000287400000000 ] - [ -0.0004006400000000, 0.0001922700000000, 0.0002832300000000 ] - [ 0.0003272400000000, 0.0000554200000000, 0.0004519300000000 ] - [ -0.0000336400000000, -0.0004611400000000, 0.0002556100000000 ] - [ 0.0003329200000000, -0.0000602300000000, 0.0005975200000000 ] - [ 0.0000803100000000, -0.0000843600000000, 0.0001043900000000 ] - [ -0.0018074700000000, 0.0038950600000000, 0.0113692100000000 ] - [ 0.0000085400000000, -0.0000691400000000, -0.0000646400000000 ] - [ 0.0000563000000000, -0.0000036600000000, -0.0000363500000000 ] - [ 0.0002293800000000, -0.0001938500000000, -0.0003526900000000 ] - [ -0.0002129900000000, 0.0002571600000000, 0.0001500700000000 ] - [ 0.0021429300000000, 0.0022181500000000, -0.0024727000000000 ] - [ -0.0067631800000000, -0.0030505400000000, -0.0125308400000000 ] - [ -0.0003970000000000, 0.0001902700000000, 0.0001427200000000 ] - [ 0.0003236500000000, 0.0002499200000000, 0.0004052500000000 ] - [ -0.0002038400000000, -0.0003578500000000, 0.0004278100000000 ] - [ -0.0002293600000000, -0.0001538100000000, -0.0002262900000000 ] - [ -0.0000184700000000, 0.0002768200000000, 0.0000602700000000 ] - [ 0.0003337900000000, -0.0002151300000000, -0.0002142500000000 ] - [ 0.0000286000000000, -0.0001515300000000, -0.0001577900000000 ] - [ 0.0001371700000000, -0.0001058800000000, -0.0002488700000000 ] - [ 0.0000322600000000, -0.0000292300000000, -0.0001516900000000 ] - [ -0.0003382700000000, -0.0005536400000000, 0.0002068200000000 ] - [ 0.0001223700000000, 0.0000408800000000, 0.0001722200000000 ] - [ -0.0000576900000000, -0.0001506200000000, 0.0000275300000000 ] - [ 0.0000009200000000, -0.0001692100000000, 0.0005345800000000 ] - [ 0.0003236500000000, 0.0003059200000000, -0.0003536300000000 ] - [ 0.0001065000000000, 0.0001236700000000, 0.0004378500000000 ] - [ 0.0002428500000000, 0.0000195700000000, -0.0003330100000000 ] - [ -0.0002668900000000, 0.0001259100000000, -0.0004390400000000 ] - [ 0.0000913100000000, -0.0002450300000000, -0.0002950200000000 ] - [ -0.0002595300000000, -0.0000812800000000, 0.0004703800000000 ] - [ 0.0003002600000000, -0.0001827800000000, 0.0005231200000000 ] - [ -0.0000816500000000, 0.0002830500000000, 0.0005271800000000 ] - [ 0.0009759400000000, 0.0001319400000000, -0.0000577900000000 ] - [ -0.0009251800000000, 0.0004106300000000, -0.0006413800000000 ] - [ 0.0000939300000000, -0.0005021100000000, -0.0003341800000000 ] - [ -0.0008367500000000, -0.0004642100000000, 0.0004552000000000 ] - [ 0.0006943800000000, 0.0001076500000000, 0.0004627500000000 ] - [ 0.0001249100000000, 0.0007052600000000, 0.0001037700000000 ] - [ -0.0033368800000000, -0.0037710400000000, -0.0001181000000000 ] - [ -0.0001920700000000, 0.0003258900000000, -0.0004120200000000 ] - [ -0.0019092000000000, -0.0037936900000000, -0.0016981600000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006941600000000, 0.0004007700000000, -0.0000712000000000 ] - [ -0.0000661700000000, -0.0009594800000000, -0.0003367800000000 ] - [ 0.0007978500000000, 0.0005370400000000, -0.0003367800000000 ] - [ -0.0010154300000000, 0.0007381100000000, 0.0000346300000000 ] - [ -0.0011469400000000, 0.0005103300000000, 0.0000346300000000 ] - [ -0.0190803300000000, 0.0110160400000000, 0.0226059900000000 ] - [ 0.0006988000000000, -0.0004034500000000, 0.0458762000000000 ] - [ -0.0024374300000000, 0.0004378600000000, 0.0024806000000000 ] - [ -0.0015979100000000, 0.0018919500000000, 0.0024806000000000 ] - [ 0.0000760100000000, 0.0005938900000000, -0.0006533800000000 ] - [ -0.0004763100000000, -0.0003627700000000, -0.0006533800000000 ] - [ 0.0007258400000000, -0.0004190600000000, 0.0000450600000000 ] - [ -0.0008926100000000, 0.0005153500000000, -0.0004261200000000 ] - [ -0.0001474600000000, -0.0003306200000000, -0.0001305500000000 ] - [ 0.0002126000000000, 0.0002930200000000, -0.0001305500000000 ] - [ -0.0000152400000000, 0.0007257200000000, -0.0005888900000000 ] - [ -0.0006361100000000, -0.0003496600000000, -0.0005888900000000 ] - [ 0.0004145900000000, -0.0002393600000000, -0.0004714400000000 ] - [ 0.0168056600000000, -0.0097027500000000, -0.1163825700000000 ] - [ 0.0009666400000000, -0.0001858900000000, -0.0019469500000000 ] - [ 0.0006443000000000, -0.0007441900000000, -0.0019469500000000 ] - [ -0.0004366000000000, -0.0002641200000000, 0.0004533500000000 ] - [ 0.0000104400000000, 0.0005101700000000, 0.0004533500000000 ] - [ 0.0004339600000000, -0.0002505500000000, 0.0001926500000000 ] - [ 0.0017616800000000, 0.0001104500000000, -0.0029284800000000 ] - [ 0.0007851900000000, -0.0015808900000000, -0.0029284800000000 ] - [ -0.0000945100000000, 0.0000545600000000, -0.0009023800000000 ] - [ -0.0001636500000000, 0.0000944800000000, 0.0005657600000000 ] - [ 0.0000489500000000, 0.0000884000000000, 0.0005808800000000 ] - [ -0.0000520900000000, -0.0000865900000000, 0.0005808800000000 ] - [ -0.0002123600000000, 0.0001226000000000, 0.0004513500000000 ] - [ 0.0004768800000000, 0.0002983900000000, 0.0008044600000000 ] - [ -0.0000199800000000, -0.0005621900000000, 0.0008044600000000 ] - [ 0.0005274800000000, -0.0002575400000000, -0.0015238100000000 ] - [ 0.0004867800000000, -0.0003280500000000, -0.0015238100000000 ] - [ -0.0112132200000000, 0.0064739500000000, 0.0241675100000000 ] - [ -0.0004485100000000, 0.0001403900000000, 0.0002647600000000 ] - [ -0.0003458400000000, 0.0003182200000000, 0.0002647600000000 ] - [ -0.0005858200000000, 0.0003382200000000, 0.0009455900000000 ] - [ 0.0003049200000000, -0.0001760500000000, -0.0007229600000000 ] - [ 0.0028941200000000, -0.0116161900000000, 0.0130867900000000 ] - [ 0.0115069700000000, 0.0033017100000000, 0.0130867900000000 ] - [ -0.0003430100000000, 0.0001980400000000, 0.0004472000000000 ] - [ 0.0005107800000000, 0.0000694400000000, 0.0007985600000000 ] - [ 0.0001952500000000, -0.0004770600000000, 0.0007985600000000 ] - [ -0.0002910900000000, 0.0001774900000000, 0.0016571000000000 ] - [ -0.0002992600000000, 0.0001633500000000, 0.0016571000000000 ] - [ 0.0002796000000000, -0.0001614300000000, -0.0003134400000000 ] - [ -0.0001418700000000, -0.0000253700000000, 0.0003787400000000 ] - [ -0.0000489600000000, 0.0001355500000000, 0.0003787400000000 ] - [ 0.0000769900000000, -0.0000444500000000, 0.0003903600000000 ] - [ 0.0000121400000000, -0.0000070100000000, 0.0002475400000000 ] - [ 0.0001829300000000, -0.0001507500000000, 0.0003600400000000 ] - [ 0.0002220200000000, -0.0000830500000000, 0.0003600400000000 ] - [ -0.0001598500000000, -0.0002261600000000, 0.0008540600000000 ] - [ 0.0010681100000000, -0.0006166700000000, 0.0001464700000000 ] - [ 0.0001159300000000, 0.0002515100000000, 0.0008540600000000 ] - [ 0.0001126500000000, 0.0003717700000000, -0.0012060800000000 ] - [ -0.0000526100000000, 0.0000303700000000, -0.0009122000000000 ] - [ -0.0002656300000000, -0.0002834400000000, -0.0012060800000000 ] - [ -0.0004607500000000, -0.0002991700000000, -0.0002120700000000 ] - [ 0.0004347500000000, -0.0002510000000000, -0.0001503300000000 ] - [ 0.0000287200000000, 0.0005486000000000, -0.0002120700000000 ] - [ -0.0004214100000000, 0.0001312900000000, -0.0009588500000000 ] - [ -0.0004115600000000, 0.0002376100000000, -0.0019412200000000 ] - [ -0.0003244100000000, 0.0002993100000000, -0.0009588500000000 ] - [ -0.0004149700000000, -0.0010568600000000, 0.0008458200000000 ] - [ 0.0000502800000000, -0.0000290300000000, 0.0009355000000000 ] - [ 0.0007077800000000, 0.0008878100000000, 0.0008458200000000 ] - [ 0.0006029600000000, -0.0005402200000000, 0.0004659900000000 ] - [ -0.0005358400000000, 0.0003093700000000, 0.0001167900000000 ] - [ 0.0007693300000000, -0.0002520700000000, 0.0004659900000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006663800000000, 0.0003847300000000, 0.0002124900000000 ] - [ 0.0000714500000000, -0.0006138300000000, 0.0004758500000000 ] - [ 0.0005673200000000, 0.0002450400000000, 0.0004758500000000 ] - [ 0.0010202000000000, 0.0008313300000000, -0.0001834700000000 ] - [ -0.0002098500000000, -0.0012991900000000, -0.0001834700000000 ] - [ 0.0206124000000000, -0.0119005800000000, -0.0226056300000000 ] - [ -0.0025315600000000, 0.0014616000000000, -0.0502236400000000 ] - [ 0.0024163700000000, -0.0019987200000000, -0.0023124300000000 ] - [ 0.0029391300000000, -0.0010932700000000, -0.0023124300000000 ] - [ -0.0000812200000000, 0.0009821100000000, 0.0005070900000000 ] - [ -0.0008911400000000, -0.0004207200000000, 0.0005070900000000 ] - [ 0.0006337500000000, -0.0003659000000000, -0.0001839200000000 ] - [ -0.0004693600000000, 0.0002709800000000, 0.0005626000000000 ] - [ 0.0001553300000000, -0.0012358800000000, 0.0002707400000000 ] - [ 0.0011479700000000, 0.0004834100000000, 0.0002707400000000 ] - [ 0.0000141900000000, 0.0008432600000000, 0.0004357800000000 ] - [ -0.0007231900000000, -0.0004339200000000, 0.0004357800000000 ] - [ 0.0009383100000000, -0.0005417300000000, 0.0003195300000000 ] - [ -0.0170269300000000, 0.0098305000000000, 0.1214721900000000 ] - [ -0.0003228500000000, 0.0005586400000000, 0.0024810900000000 ] - [ -0.0006452200000000, 0.0000002700000000, 0.0024810900000000 ] - [ -0.0002315700000000, -0.0001176900000000, -0.0009806200000000 ] - [ -0.0000138600000000, 0.0002594000000000, -0.0009806200000000 ] - [ 0.0002343000000000, -0.0001352700000000, -0.0007232400000000 ] - [ -0.0019136600000000, -0.0000927000000000, 0.0027512500000000 ] - [ -0.0008765500000000, 0.0017036300000000, 0.0027512500000000 ] - [ 0.0001781700000000, -0.0001028700000000, 0.0007234700000000 ] - [ 0.0000723600000000, -0.0000417800000000, -0.0003743000000000 ] - [ 0.0000344000000000, -0.0000351000000000, -0.0003945900000000 ] - [ 0.0000475900000000, -0.0000122400000000, -0.0003945900000000 ] - [ -0.0004598500000000, 0.0002655000000000, 0.0001024300000000 ] - [ 0.0001997700000000, 0.0000904500000000, -0.0002459800000000 ] - [ 0.0000215500000000, -0.0002182300000000, -0.0002459800000000 ] - [ -0.0011962000000000, -0.0001341200000000, 0.0009586800000000 ] - [ -0.0004819500000000, 0.0011030000000000, 0.0009586800000000 ] - [ 0.0120035700000000, -0.0069302700000000, -0.0250470300000000 ] - [ 0.0003665800000000, -0.0001903800000000, -0.0004334300000000 ] - [ 0.0003481600000000, -0.0002222800000000, -0.0004334300000000 ] - [ 0.0006511500000000, -0.0003759400000000, -0.0010970900000000 ] - [ -0.0003728900000000, 0.0002152900000000, 0.0008785200000000 ] - [ -0.0028553700000000, 0.0117121500000000, -0.0129297900000000 ] - [ -0.0115707000000000, -0.0033832500000000, -0.0129297900000000 ] - [ -0.0003214100000000, 0.0001855600000000, 0.0000984400000000 ] - [ 0.0001534200000000, 0.0003121800000000, -0.0002518700000000 ] - [ -0.0001936500000000, -0.0002889500000000, -0.0002518700000000 ] - [ -0.0003884000000000, -0.0005520600000000, -0.0021672600000000 ] - [ 0.0002839000000000, 0.0006124000000000, -0.0021672600000000 ] - [ 0.0003937200000000, -0.0002273100000000, -0.0002412200000000 ] - [ 0.0000556400000000, -0.0000312800000000, -0.0005512600000000 ] - [ 0.0000549100000000, -0.0000325500000000, -0.0005512600000000 ] - [ 0.0000106500000000, -0.0000061500000000, -0.0005607200000000 ] - [ -0.0000969000000000, 0.0000559500000000, -0.0000747400000000 ] - [ -0.0000993800000000, 0.0002000700000000, -0.0001750900000000 ] - [ -0.0002229600000000, -0.0000139700000000, -0.0001750900000000 ] - [ -0.0003787100000000, -0.0000870600000000, 0.0000701000000000 ] - [ -0.0004582300000000, 0.0002645600000000, 0.0008449100000000 ] - [ -0.0001139600000000, 0.0003715000000000, 0.0000701000000000 ] - [ 0.0004180300000000, -0.0000553600000000, 0.0002733800000000 ] - [ -0.0004752000000000, 0.0002743600000000, -0.0000112100000000 ] - [ 0.0002569600000000, -0.0003343500000000, 0.0002733800000000 ] - [ -0.0001277000000000, -0.0000438100000000, 0.0010778400000000 ] - [ 0.0001505300000000, -0.0000869100000000, 0.0010186800000000 ] - [ -0.0000259100000000, 0.0001325000000000, 0.0010778400000000 ] - [ 0.0009997300000000, 0.0002087200000000, 0.0000754000000000 ] - [ -0.0001594800000000, 0.0000920800000000, 0.0010446000000000 ] - [ 0.0003191100000000, -0.0009701500000000, 0.0000754000000000 ] - [ -0.0001158900000000, 0.0007270100000000, 0.0000701800000000 ] - [ 0.0004756700000000, -0.0002746300000000, -0.0000163900000000 ] - [ -0.0006875600000000, -0.0002631400000000, 0.0000701800000000 ] - [ -0.0001029700000000, 0.0007921300000000, -0.0013691700000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0010235900000000 ] - [ -0.0007374900000000, -0.0003068900000000, -0.0013691700000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006102100000000, 0.0004132600000000, 0.0003755300000000 ] - [ 0.0001011700000000, -0.0008188100000000, 0.0001673200000000 ] - [ 0.0007797500000000, 0.0003963400000000, -0.0004149100000000 ] - [ 0.0720750400000000, -0.0175001800000000, -0.0252495200000000 ] - [ -0.0017912800000000, -0.0029143900000000, 0.0010906800000000 ] - [ 0.0227160700000000, 0.0050932500000000, -0.0061204400000000 ] - [ -0.0009933400000000, 0.0005433000000000, -0.0017108900000000 ] - [ -0.0004442000000000, 0.0004234000000000, -0.0012782300000000 ] - [ 0.0001684300000000, 0.0003821500000000, 0.0001952100000000 ] - [ -0.0001371400000000, 0.0008048200000000, 0.0000159900000000 ] - [ -0.0008625500000000, -0.0002394700000000, -0.0000255600000000 ] - [ 0.0008442800000000, -0.0002941800000000, -0.0001923900000000 ] - [ -0.0004293800000000, -0.0002854200000000, -0.0001448500000000 ] - [ -0.0002612200000000, -0.0006249100000000, -0.0000875100000000 ] - [ 0.0008477300000000, 0.0003306800000000, 0.0000893200000000 ] - [ -0.0003659500000000, 0.0007529000000000, 0.0000395400000000 ] - [ -0.0007333000000000, -0.0003247100000000, -0.0002867100000000 ] - [ 0.0004037000000000, -0.0004920000000000, -0.0000028500000000 ] - [ 0.0050004500000000, -0.0149769500000000, 0.0021115000000000 ] - [ 0.0007339900000000, -0.0005309300000000, 0.0004079700000000 ] - [ 0.0001114000000000, -0.0040960400000000, 0.0012833600000000 ] - [ -0.0003202800000000, -0.0001782500000000, -0.0001484000000000 ] - [ 0.0000669600000000, 0.0003671600000000, -0.0002099000000000 ] - [ 0.0004436100000000, -0.0002035700000000, -0.0002592300000000 ] - [ -0.1334285300000000, 0.0243421200000000, 0.0360439800000000 ] - [ 0.0040397000000000, 0.0139939000000000, -0.0012970600000000 ] - [ 0.0265620900000000, -0.0010817000000000, -0.0022650000000000 ] - [ -0.0001718700000000, -0.0000285900000000, 0.0002252600000000 ] - [ 0.0000136400000000, 0.0001615900000000, -0.0000714600000000 ] - [ -0.0001380200000000, 0.0000087100000000, 0.0000616000000000 ] - [ -0.0004011100000000, 0.0003807300000000, 0.0001758600000000 ] - [ 0.0003418700000000, 0.0001841200000000, 0.0002408100000000 ] - [ 0.0001402600000000, -0.0003785600000000, 0.0002275400000000 ] - [ -0.0001603100000000, 0.0000450600000000, -0.0006080500000000 ] - [ 0.0029879200000000, -0.0047764700000000, -0.0089515800000000 ] - [ -0.0017359100000000, -0.0023378500000000, 0.0026472200000000 ] - [ 0.0000383400000000, -0.0001059400000000, -0.0000017300000000 ] - [ 0.0000301200000000, -0.0001380000000000, 0.0002408700000000 ] - [ 0.0002676300000000, -0.0001472600000000, -0.0003488300000000 ] - [ 0.0002196700000000, -0.0000720600000000, 0.0000367500000000 ] - [ 0.0001687200000000, -0.0011603800000000, 0.0011807500000000 ] - [ 0.0001298000000000, 0.0001201900000000, 0.0001722600000000 ] - [ -0.0003754700000000, 0.0002437400000000, -0.0001438700000000 ] - [ 0.0001319400000000, 0.0000133800000000, 0.0008819000000000 ] - [ 0.0000307500000000, -0.0003783800000000, 0.0002077100000000 ] - [ -0.0000356000000000, -0.0007696400000000, -0.0003262400000000 ] - [ 0.0000628900000000, 0.0002861900000000, -0.0003507000000000 ] - [ 0.0002510700000000, -0.0001682900000000, -0.0001320100000000 ] - [ 0.0000356100000000, -0.0001088500000000, -0.0001963700000000 ] - [ 0.0003935800000000, 0.0000767700000000, 0.0000649700000000 ] - [ 0.0002671900000000, 0.0002721100000000, 0.0001688400000000 ] - [ 0.0001810400000000, 0.0002323700000000, 0.0000362300000000 ] - [ 0.0009778000000000, 0.0010364700000000, -0.0006973900000000 ] - [ -0.0001823900000000, -0.0000260800000000, 0.0001339800000000 ] - [ -0.0005551000000000, -0.0004026800000000, 0.0000241700000000 ] - [ 0.0003775700000000, 0.0008236300000000, 0.0013861000000000 ] - [ 0.0004583800000000, 0.0008257500000000, 0.0009444600000000 ] - [ 0.0003949200000000, 0.0000868200000000, -0.0004585800000000 ] - [ -0.0003576800000000, 0.0001319500000000, -0.0005124400000000 ] - [ 0.0000630300000000, -0.0002506300000000, -0.0004348900000000 ] - [ -0.0003461300000000, -0.0001050200000000, 0.0004876900000000 ] - [ 0.0003842100000000, -0.0001872000000000, 0.0004321300000000 ] - [ -0.0000537400000000, 0.0003351600000000, 0.0004474500000000 ] - [ 0.0002443600000000, 0.0001315500000000, -0.0003136900000000 ] - [ -0.0003799400000000, 0.0002707500000000, -0.0006710400000000 ] - [ 0.0001800800000000, -0.0001864600000000, 0.0001619300000000 ] - [ 0.0005672900000000, -0.0004887900000000, 0.0010751600000000 ] - [ -0.0006681300000000, 0.0001687100000000, 0.0015074500000000 ] - [ 0.0005675000000000, 0.0003265200000000, 0.0010003700000000 ] - [ 0.0013167000000000, 0.0014747000000000, -0.0003070800000000 ] - [ -0.0004609000000000, 0.0018950900000000, -0.0008060900000000 ] - [ 0.0002814200000000, -0.0005967000000000, -0.0009643300000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007474800000000, 0.0003700600000000, -0.0002280300000000 ] - [ -0.0000978900000000, -0.0007536500000000, -0.0000252400000000 ] - [ 0.0005830100000000, 0.0003862700000000, 0.0005638500000000 ] - [ -0.0688126300000000, 0.0169629300000000, 0.0234504100000000 ] - [ 0.0004609600000000, 0.0021277600000000, -0.0012548900000000 ] - [ -0.0213940400000000, -0.0061272300000000, 0.0059203600000000 ] - [ -0.0003796200000000, 0.0002444200000000, 0.0018782500000000 ] - [ 0.0004380300000000, -0.0019915900000000, 0.0014426200000000 ] - [ 0.0011994800000000, 0.0004040000000000, -0.0000470300000000 ] - [ 0.0001310200000000, 0.0007692400000000, -0.0001649900000000 ] - [ -0.0005037200000000, -0.0005426300000000, -0.0001174800000000 ] - [ 0.0005137300000000, -0.0004914000000000, 0.0000505200000000 ] - [ -0.0009274700000000, 0.0010794900000000, 0.0002926900000000 ] - [ 0.0002688500000000, -0.0009539500000000, 0.0002288700000000 ] - [ 0.0005164600000000, 0.0004579300000000, 0.0000545900000000 ] - [ 0.0003635700000000, 0.0008217200000000, -0.0001836900000000 ] - [ -0.0006289900000000, -0.0004585100000000, 0.0001436700000000 ] - [ 0.0009547200000000, -0.0002911000000000, -0.0001425100000000 ] - [ -0.0056589000000000, 0.0155000700000000, -0.0015605400000000 ] - [ -0.0000931400000000, 0.0009456200000000, 0.0001378500000000 ] - [ -0.0000566900000000, 0.0032969700000000, -0.0007276100000000 ] - [ -0.0003407900000000, -0.0002016800000000, -0.0003868400000000 ] - [ -0.0000681800000000, 0.0003931800000000, -0.0003269900000000 ] - [ 0.0002177500000000, -0.0001785800000000, -0.0002768800000000 ] - [ 0.1297482600000000, -0.0221361100000000, -0.0346418500000000 ] - [ -0.0040560400000000, -0.0138441800000000, 0.0011408000000000 ] - [ -0.0260908700000000, 0.0010343800000000, 0.0020647600000000 ] - [ 0.0000876400000000, 0.0000779600000000, -0.0000440100000000 ] - [ 0.0000671200000000, -0.0001068400000000, 0.0002534800000000 ] - [ 0.0001344500000000, -0.0001055900000000, 0.0001194300000000 ] - [ -0.0002685500000000, 0.0000028700000000, 0.0003762700000000 ] - [ 0.0003285700000000, 0.0001988700000000, 0.0003101400000000 ] - [ -0.0001388500000000, -0.0003952100000000, 0.0003243300000000 ] - [ -0.0005161700000000, -0.0004283300000000, 0.0000669900000000 ] - [ -0.0029961700000000, 0.0055531400000000, 0.0083736100000000 ] - [ 0.0024416700000000, 0.0018897600000000, -0.0031052500000000 ] - [ -0.0001128100000000, 0.0000560800000000, -0.0001729500000000 ] - [ -0.0000237900000000, 0.0002278400000000, -0.0004154800000000 ] - [ -0.0001857000000000, 0.0001007700000000, 0.0001722400000000 ] - [ -0.0002999000000000, 0.0001138500000000, 0.0001349200000000 ] - [ -0.0000845500000000, 0.0012178500000000, -0.0010167000000000 ] - [ -0.0001259600000000, -0.0002179300000000, 0.0000034100000000 ] - [ -0.0002893100000000, 0.0001390700000000, 0.0006747400000000 ] - [ 0.0005304900000000, 0.0003669800000000, -0.0003520600000000 ] - [ -0.0000298400000000, -0.0003833800000000, 0.0003320700000000 ] - [ -0.0006344600000000, 0.0003794800000000, -0.0002202200000000 ] - [ -0.0000628700000000, 0.0004933300000000, -0.0001915800000000 ] - [ 0.0004209600000000, -0.0002191200000000, -0.0004175300000000 ] - [ -0.0001153500000000, 0.0000532100000000, 0.0000132700000000 ] - [ -0.0003916500000000, 0.0000202900000000, -0.0002466100000000 ] - [ -0.0001860600000000, -0.0003243800000000, -0.0003501600000000 ] - [ -0.0002655800000000, -0.0001897800000000, 0.0001467400000000 ] - [ -0.0009037400000000, -0.0010026100000000, 0.0008988300000000 ] - [ 0.0001760200000000, -0.0000688800000000, 0.0000440100000000 ] - [ 0.0000259500000000, 0.0000897800000000, 0.0008950900000000 ] - [ 0.0001377300000000, -0.0011269800000000, -0.0004661400000000 ] - [ -0.0004517600000000, -0.0002171900000000, -0.0000135900000000 ] - [ 0.0001345400000000, 0.0002210900000000, -0.0004571200000000 ] - [ -0.0001707000000000, 0.0001733600000000, -0.0004052900000000 ] - [ -0.0000646900000000, -0.0003642600000000, -0.0004827600000000 ] - [ -0.0002388300000000, -0.0002352800000000, 0.0003880600000000 ] - [ 0.0001985100000000, -0.0001488900000000, 0.0004453500000000 ] - [ 0.0000561300000000, 0.0003414200000000, 0.0004315000000000 ] - [ 0.0003414200000000, 0.0002097000000000, -0.0005634600000000 ] - [ -0.0002044200000000, 0.0000652600000000, -0.0002152900000000 ] - [ -0.0001825200000000, -0.0004901000000000, -0.0010403000000000 ] - [ -0.0011077200000000, 0.0001710000000000, -0.0001728800000000 ] - [ 0.0011983400000000, -0.0004751300000000, -0.0005797000000000 ] - [ -0.0005591800000000, 0.0002997300000000, -0.0000862000000000 ] - [ -0.0007909700000000, -0.0011576000000000, -0.0006129800000000 ] - [ -0.0000422200000000, -0.0015790600000000, -0.0001163200000000 ] - [ -0.0003746200000000, -0.0000495900000000, 0.0000554200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007349300000000, 0.0005129500000000, -0.0000964900000000 ] - [ 0.0000767600000000, -0.0008929400000000, -0.0000964900000000 ] - [ 0.0008128900000000, 0.0004693200000000, -0.0007528800000000 ] - [ -0.0255841200000000, 0.0057909200000000, 0.0240051600000000 ] - [ -0.0008730400000000, -0.0005040500000000, 0.0009061600000000 ] - [ -0.0077769800000000, -0.0250519600000000, 0.0240051600000000 ] - [ -0.0025386200000000, 0.0007285900000000, 0.0037086300000000 ] - [ -0.0006383300000000, -0.0025628100000000, 0.0037086300000000 ] - [ 0.0003186800000000, 0.0001839900000000, 0.0013062700000000 ] - [ 0.0002495400000000, 0.0007906500000000, -0.0002253900000000 ] - [ -0.0006211400000000, -0.0003586200000000, -0.0004275900000000 ] - [ 0.0008094900000000, -0.0001792200000000, -0.0002253900000000 ] - [ -0.0008847100000000, 0.0005871800000000, -0.0002495000000000 ] - [ 0.0000661600000000, -0.0010597700000000, -0.0002495000000000 ] - [ 0.0005666600000000, 0.0003271600000000, -0.0002837700000000 ] - [ -0.0004346300000000, 0.0006776100000000, -0.0003611600000000 ] - [ -0.0006953700000000, -0.0004014700000000, -0.0007251500000000 ] - [ 0.0003695100000000, -0.0007152100000000, -0.0003611600000000 ] - [ -0.0015103700000000, 0.0056219500000000, -0.0026030200000000 ] - [ 0.0005474200000000, 0.0003160500000000, -0.0005415900000000 ] - [ 0.0041135700000000, -0.0041190000000000, -0.0026030200000000 ] - [ -0.0003037800000000, -0.0001753900000000, 0.0002068000000000 ] - [ 0.0000705800000000, 0.0004952000000000, 0.0002232600000000 ] - [ 0.0004641500000000, -0.0001864700000000, 0.0002232600000000 ] - [ 0.0350953500000000, 0.0202623100000000, -0.0724609800000000 ] - [ 0.0009167100000000, 0.0019368400000000, -0.0036317100000000 ] - [ 0.0021357100000000, -0.0001745300000000, -0.0036317100000000 ] - [ -0.0001736400000000, -0.0000896300000000, 0.0006175300000000 ] - [ -0.0001235200000000, -0.0000713100000000, 0.0003879800000000 ] - [ -0.0001644400000000, -0.0001055600000000, 0.0006175300000000 ] - [ -0.0002646800000000, 0.0000480400000000, 0.0007355100000000 ] - [ 0.0002707100000000, 0.0001563000000000, 0.0007456200000000 ] - [ -0.0000907400000000, -0.0002532400000000, 0.0007355100000000 ] - [ -0.0002681700000000, -0.0001548300000000, -0.0010714400000000 ] - [ -0.0099046900000000, 0.0090996400000000, 0.0126621900000000 ] - [ 0.0029281700000000, -0.0131275300000000, 0.0126621900000000 ] - [ -0.0001405300000000, -0.0000811400000000, 0.0000793400000000 ] - [ -0.0001035200000000, -0.0002003800000000, 0.0005077900000000 ] - [ -0.0002253000000000, 0.0000105400000000, 0.0005077900000000 ] - [ 0.0000125200000000, 0.0001464500000000, -0.0006560400000000 ] - [ 0.0011379300000000, 0.0006569800000000, -0.0020913700000000 ] - [ 0.0001330900000000, -0.0000623800000000, -0.0006560400000000 ] - [ -0.0003536200000000, 0.0002363000000000, 0.0006139000000000 ] - [ 0.0000561700000000, 0.0000324300000000, 0.0012848500000000 ] - [ 0.0000278300000000, -0.0004243900000000, 0.0006139000000000 ] - [ -0.0002172200000000, -0.0001254100000000, -0.0001119100000000 ] - [ -0.0001452200000000, 0.0003752200000000, -0.0000055500000000 ] - [ 0.0002523400000000, -0.0003133700000000, -0.0000055500000000 ] - [ 0.0000467700000000, 0.0000270000000000, 0.0000786900000000 ] - [ 0.0005877400000000, 0.0000061800000000, 0.0005014800000000 ] - [ 0.0002992200000000, 0.0005059100000000, 0.0005014800000000 ] - [ 0.0000180400000000, 0.0001052900000000, 0.0004881600000000 ] - [ -0.0007674200000000, -0.0004430700000000, 0.0008196100000000 ] - [ 0.0001002000000000, -0.0000370200000000, 0.0004881600000000 ] - [ -0.0003537400000000, -0.0002042300000000, 0.0003284500000000 ] - [ 0.0011503300000000, -0.0002721200000000, 0.0010363600000000 ] - [ 0.0003395100000000, 0.0011322700000000, 0.0010363600000000 ] - [ 0.0002027000000000, 0.0001170300000000, -0.0010049400000000 ] - [ -0.0001413600000000, 0.0000473100000000, -0.0009852100000000 ] - [ -0.0000297100000000, -0.0001460700000000, -0.0009852100000000 ] - [ -0.0003996000000000, -0.0002307100000000, -0.0000901800000000 ] - [ 0.0004310000000000, -0.0002789000000000, -0.0001066300000000 ] - [ -0.0000260300000000, 0.0005127000000000, -0.0001066300000000 ] - [ 0.0003134500000000, 0.0001809700000000, -0.0003224800000000 ] - [ -0.0006159900000000, 0.0001810500000000, -0.0014362000000000 ] - [ -0.0001512000000000, -0.0006239800000000, -0.0014362000000000 ] - [ 0.0003618600000000, 0.0002089200000000, 0.0025529600000000 ] - [ 0.0008713500000000, 0.0004315900000000, 0.0013324600000000 ] - [ 0.0008094400000000, 0.0005388200000000, 0.0013324600000000 ] - [ -0.0002177400000000, -0.0001257100000000, -0.0001717000000000 ] - [ -0.0003632300000000, 0.0012186900000000, -0.0003959100000000 ] - [ 0.0008738000000000, -0.0009239100000000, -0.0003959100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006236800000000, 0.0002734200000000, 0.0002400800000000 ] - [ -0.0000750500000000, -0.0006768300000000, 0.0002400800000000 ] - [ 0.0005487100000000, 0.0003168000000000, 0.0008983300000000 ] - [ 0.0260063600000000, -0.0044017900000000, -0.0238412900000000 ] - [ -0.0004701100000000, -0.0002714200000000, -0.0010597600000000 ] - [ 0.0091911200000000, 0.0247230600000000, -0.0238412900000000 ] - [ 0.0011562000000000, 0.0000905700000000, -0.0035626300000000 ] - [ 0.0006565400000000, 0.0009560100000000, -0.0035626300000000 ] - [ 0.0010487900000000, 0.0006055200000000, -0.0011582600000000 ] - [ -0.0002486000000000, 0.0007837900000000, 0.0000880300000000 ] - [ -0.0007451500000000, -0.0004302100000000, 0.0002847500000000 ] - [ 0.0005544900000000, -0.0006071900000000, 0.0000880300000000 ] - [ -0.0004746400000000, 0.0001997300000000, 0.0003957300000000 ] - [ -0.0000643500000000, -0.0005109200000000, 0.0003957300000000 ] - [ 0.0007937900000000, 0.0004582900000000, 0.0004285700000000 ] - [ 0.0004347200000000, 0.0008933200000000, 0.0002151100000000 ] - [ -0.0006661900000000, -0.0003846200000000, 0.0005821000000000 ] - [ 0.0009910000000000, -0.0000701800000000, 0.0002151100000000 ] - [ 0.0008492600000000, -0.0052479200000000, 0.0030789400000000 ] - [ 0.0001129300000000, 0.0000652000000000, 0.0010856600000000 ] - [ -0.0041202000000000, 0.0033594400000000, 0.0030789400000000 ] - [ -0.0003512900000000, -0.0002028200000000, -0.0007344600000000 ] - [ -0.0000720700000000, 0.0002617800000000, -0.0007532900000000 ] - [ 0.0001906700000000, -0.0001933000000000, -0.0007532900000000 ] - [ -0.0355608900000000, -0.0205310900000000, 0.0721973500000000 ] - [ -0.0009746400000000, -0.0019680000000000, 0.0034412700000000 ] - [ -0.0021916600000000, 0.0001399300000000, 0.0034412700000000 ] - [ 0.0000937600000000, 0.0001336400000000, -0.0004331200000000 ] - [ 0.0002031000000000, 0.0001172600000000, -0.0002019900000000 ] - [ 0.0001626100000000, 0.0000143800000000, -0.0004331200000000 ] - [ -0.0004000800000000, 0.0003366700000000, -0.0001932400000000 ] - [ 0.0003958000000000, 0.0002285200000000, -0.0002040200000000 ] - [ 0.0000915300000000, -0.0005148200000000, -0.0001932400000000 ] - [ -0.0003988700000000, -0.0002302900000000, 0.0005287700000000 ] - [ 0.0100279400000000, -0.0084378900000000, -0.0133557300000000 ] - [ -0.0022934600000000, 0.0129034000000000, -0.0133557300000000 ] - [ 0.0000672200000000, 0.0000388100000000, -0.0002611500000000 ] - [ 0.0001040100000000, 0.0002816800000000, -0.0006806400000000 ] - [ 0.0002959400000000, -0.0000507600000000, -0.0006806400000000 ] - [ -0.0000876800000000, -0.0001039500000000, 0.0008263200000000 ] - [ -0.0010577800000000, -0.0006107100000000, 0.0022494400000000 ] - [ -0.0001338600000000, -0.0000239500000000, 0.0008263200000000 ] - [ -0.0003024700000000, 0.0001443200000000, -0.0000834700000000 ] - [ 0.0006003200000000, 0.0003466000000000, -0.0007570300000000 ] - [ -0.0000262500000000, -0.0003341100000000, -0.0000834700000000 ] - [ -0.0004479200000000, -0.0002586100000000, -0.0004353900000000 ] - [ 0.0001416900000000, 0.0003903400000000, -0.0005417800000000 ] - [ 0.0004088900000000, -0.0000724600000000, -0.0005417800000000 ] - [ -0.0001264900000000, -0.0000730300000000, -0.0002615000000000 ] - [ -0.0005897300000000, 0.0000865500000000, -0.0006868100000000 ] - [ -0.0002199100000000, -0.0005539900000000, -0.0006868100000000 ] - [ -0.0000944700000000, -0.0000612000000000, -0.0003064300000000 ] - [ 0.0008308800000000, 0.0004797100000000, -0.0006182200000000 ] - [ -0.0001002400000000, -0.0000512200000000, -0.0003064300000000 ] - [ -0.0001841500000000, -0.0001063200000000, 0.0005921100000000 ] - [ -0.0006076000000000, -0.0000164000000000, -0.0000848700000000 ] - [ -0.0003180000000000, -0.0005180000000000, -0.0000848700000000 ] - [ 0.0003328000000000, 0.0001921400000000, 0.0000893400000000 ] - [ -0.0003921900000000, 0.0002576300000000, 0.0000669200000000 ] - [ 0.0000270200000000, -0.0004684600000000, 0.0000669200000000 ] - [ -0.0001877400000000, -0.0001083900000000, 0.0009657900000000 ] - [ 0.0001544700000000, -0.0000567300000000, 0.0009857900000000 ] - [ 0.0000281100000000, 0.0001621400000000, 0.0009857900000000 ] - [ 0.0002735000000000, 0.0001579000000000, -0.0005562900000000 ] - [ 0.0000321500000000, 0.0001587000000000, 0.0005597500000000 ] - [ 0.0001535100000000, -0.0000515000000000, 0.0005597500000000 ] - [ -0.0009752700000000, -0.0005630700000000, -0.0017861200000000 ] - [ -0.0003334600000000, -0.0007416000000000, -0.0004222500000000 ] - [ -0.0008089700000000, 0.0000820200000000, -0.0004222500000000 ] - [ 0.0007499200000000, 0.0004329700000000, -0.0007465200000000 ] - [ -0.0001568400000000, -0.0008653600000000, -0.0005131700000000 ] - [ -0.0008278400000000, 0.0002968500000000, -0.0005131700000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006161800000000, 0.0004673000000000, 0.0002094700000000 ] - [ 0.0000216200000000, -0.0006983700000000, 0.0002264700000000 ] - [ 0.0006882900000000, 0.0004860900000000, 0.0001762300000000 ] - [ 0.0005702200000000, 0.0011778800000000, 0.0000092800000000 ] - [ -0.0027321700000000, -0.0006263900000000, 0.0015148200000000 ] - [ 0.0024173400000000, 0.0004920100000000, -0.0001437800000000 ] - [ -0.0004624100000000, 0.0002967700000000, -0.0000385700000000 ] - [ 0.0001193500000000, -0.0006296300000000, 0.0000738700000000 ] - [ 0.0015218100000000, 0.0003354300000000, -0.0013859900000000 ] - [ 0.0016062700000000, 0.0016563300000000, 0.0040194300000000 ] - [ -0.0005801600000000, 0.0002067900000000, -0.0004411000000000 ] - [ 0.0013740000000000, 0.0014027200000000, 0.0008102700000000 ] - [ -0.0044128300000000, -0.0011534600000000, 0.0001980600000000 ] - [ -0.0010071400000000, -0.0050088800000000, 0.0009386900000000 ] - [ 0.0036410700000000, -0.0004223300000000, -0.0004566600000000 ] - [ -0.0000337700000000, 0.0007695800000000, -0.0001713600000000 ] - [ -0.0006957400000000, -0.0004366600000000, 0.0001101300000000 ] - [ 0.0006877100000000, -0.0004629600000000, 0.0000356200000000 ] - [ -0.0006026700000000, 0.0002849800000000, 0.0003845700000000 ] - [ 0.0002828800000000, 0.0006602900000000, -0.0005177400000000 ] - [ -0.0000129700000000, -0.0005213100000000, 0.0002671800000000 ] - [ -0.0003262700000000, -0.0002157600000000, -0.0004783600000000 ] - [ 0.0000280500000000, 0.0005139500000000, -0.0001591000000000 ] - [ 0.0003538600000000, -0.0001859600000000, -0.0004184000000000 ] - [ -0.0003301000000000, -0.0002697600000000, -0.0001749500000000 ] - [ -0.0010063700000000, -0.0002756200000000, -0.0006388900000000 ] - [ 0.0001540200000000, -0.0007383200000000, -0.0009665100000000 ] - [ -0.0001345900000000, -0.0001231300000000, -0.0000347200000000 ] - [ 0.0001698600000000, -0.0000400600000000, 0.0000262600000000 ] - [ -0.0000486400000000, -0.0000542700000000, -0.0000620400000000 ] - [ 0.0002336100000000, 0.0001964000000000, 0.0001232900000000 ] - [ -0.0000925300000000, 0.0004470800000000, 0.0004836800000000 ] - [ 0.0001506200000000, 0.0001677200000000, -0.0005803300000000 ] - [ 0.0002972300000000, 0.0000531800000000, -0.0001451600000000 ] - [ -0.0002142300000000, 0.0001519400000000, -0.0006638400000000 ] - [ -0.0003457200000000, -0.0003640100000000, -0.0009810800000000 ] - [ 0.0008089000000000, -0.0003515000000000, 0.0005947400000000 ] - [ -0.0004679900000000, -0.0005410100000000, 0.0001209100000000 ] - [ -0.0008948500000000, -0.0009031200000000, -0.0006960000000000 ] - [ -0.0001253100000000, -0.0002825100000000, 0.0004074700000000 ] - [ -0.0000110200000000, -0.0000148600000000, 0.0001086600000000 ] - [ -0.0001726200000000, -0.0000995700000000, 0.0002557600000000 ] - [ -0.0003634100000000, 0.0001797200000000, 0.0000998400000000 ] - [ 0.0003202200000000, 0.0001744800000000, 0.0001239700000000 ] - [ -0.0000023700000000, -0.0004867100000000, 0.0000733800000000 ] - [ -0.0004058500000000, -0.0000237200000000, -0.0000054000000000 ] - [ 0.0094360700000000, 0.0011374900000000, -0.0006524800000000 ] - [ 0.0039629600000000, 0.0042781000000000, 0.0000894900000000 ] - [ -0.0000924100000000, 0.0000389100000000, -0.0001975500000000 ] - [ 0.0000409300000000, 0.0000990600000000, -0.0002567500000000 ] - [ 0.0001340000000000, 0.0000647600000000, -0.0002295300000000 ] - [ -0.0002570400000000, -0.0000294200000000, 0.0001956200000000 ] - [ 0.0010926500000000, 0.0013461900000000, -0.0003951800000000 ] - [ -0.0012144000000000, -0.0011991700000000, 0.0010423100000000 ] - [ -0.0188669900000000, -0.0021499700000000, 0.0006853500000000 ] - [ 0.0053891400000000, 0.0003039100000000, -0.0006638600000000 ] - [ 0.0009290000000000, 0.0022824000000000, -0.0000284500000000 ] - [ 0.0007631800000000, 0.0001887500000000, -0.0002907700000000 ] - [ -0.0011275900000000, -0.0001095100000000, -0.0003295400000000 ] - [ 0.0002498800000000, -0.0006799000000000, -0.0017959300000000 ] - [ -0.0001662900000000, -0.0000473400000000, 0.0006114100000000 ] - [ 0.0001393200000000, 0.0000669300000000, 0.0007775900000000 ] - [ 0.0000820000000000, 0.0002020000000000, 0.0009631600000000 ] - [ 0.0002920500000000, 0.0001780200000000, -0.0003131900000000 ] - [ -0.0002838200000000, 0.0001722300000000, -0.0002345900000000 ] - [ 0.0000165900000000, -0.0003491100000000, -0.0002900900000000 ] - [ -0.0001391300000000, -0.0000328300000000, 0.0005482500000000 ] - [ 0.0001115300000000, -0.0001495500000000, 0.0007771500000000 ] - [ -0.0001179300000000, 0.0000546300000000, 0.0010245300000000 ] - [ 0.0005853300000000, -0.0000063200000000, -0.0005337700000000 ] - [ -0.0008818600000000, 0.0001428500000000, -0.0007398600000000 ] - [ 0.0005738500000000, -0.0009939000000000, -0.0019954000000000 ]- atom: 55 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007418800000000, 0.0003162900000000, -0.0000633800000000 ] - [ -0.0000173500000000, -0.0008727700000000, -0.0000815000000000 ] - [ 0.0006756800000000, 0.0002956400000000, -0.0000298800000000 ] - [ -0.0005608300000000, 0.0003987800000000, -0.0001566200000000 ] - [ 0.0013855800000000, -0.0001655200000000, -0.0016423300000000 ] - [ -0.0010671500000000, -0.0012813600000000, -0.0000016600000000 ] - [ -0.0009003300000000, 0.0004885300000000, 0.0001776400000000 ] - [ -0.0001180600000000, -0.0009454500000000, 0.0000698800000000 ] - [ -0.0001514300000000, 0.0004479300000000, 0.0015584400000000 ] - [ -0.0015981400000000, -0.0000662800000000, -0.0041060100000000 ] - [ -0.0007906400000000, -0.0009833500000000, 0.0003032300000000 ] - [ -0.0000133000000000, -0.0021850600000000, -0.0009642800000000 ] - [ 0.0030676600000000, 0.0019161000000000, -0.0000491000000000 ] - [ 0.0010075900000000, 0.0033914000000000, -0.0007826700000000 ] - [ -0.0022685700000000, 0.0012104300000000, 0.0006049100000000 ] - [ 0.0000303100000000, 0.0008033600000000, 0.0000280900000000 ] - [ -0.0006675700000000, -0.0003453200000000, -0.0002547100000000 ] - [ 0.0006710800000000, -0.0003207100000000, -0.0001822300000000 ] - [ -0.0000683300000000, 0.0001026900000000, 0.0001694600000000 ] - [ 0.0003952000000000, -0.0002605800000000, 0.0010109000000000 ] - [ 0.0000150000000000, -0.0002558400000000, 0.0002814400000000 ] - [ -0.0003360400000000, -0.0001651500000000, -0.0000593600000000 ] - [ -0.0000288600000000, 0.0002499200000000, -0.0003799000000000 ] - [ 0.0003115500000000, -0.0001974800000000, -0.0001169100000000 ] - [ 0.0002486100000000, 0.0002210700000000, -0.0000033000000000 ] - [ 0.0010105700000000, 0.0003749800000000, 0.0004632600000000 ] - [ -0.0000833000000000, 0.0006904600000000, 0.0007931800000000 ] - [ 0.0000493400000000, 0.0001738600000000, 0.0002143100000000 ] - [ -0.0000872700000000, 0.0000957500000000, 0.0001543900000000 ] - [ 0.0000427400000000, -0.0000438600000000, 0.0002434200000000 ] - [ -0.0009092400000000, 0.0001916500000000, 0.0004261500000000 ] - [ 0.0007669000000000, -0.0000653500000000, 0.0000623700000000 ] - [ -0.0001452300000000, -0.0009362600000000, 0.0011181500000000 ] - [ -0.0009750400000000, -0.0004372900000000, -0.0004011500000000 ] - [ 0.0002100000000000, 0.0006237800000000, 0.0001097400000000 ] - [ 0.0010222200000000, -0.0000225000000000, 0.0004363300000000 ] - [ -0.0008689700000000, 0.0003066700000000, -0.0007387100000000 ] - [ 0.0004823300000000, 0.0006349900000000, -0.0002904300000000 ] - [ 0.0009740800000000, 0.0008502600000000, 0.0005109700000000 ] - [ 0.0000467300000000, 0.0003341100000000, -0.0002431900000000 ] - [ 0.0000887600000000, 0.0000653200000000, 0.0000663700000000 ] - [ 0.0001741600000000, 0.0000036400000000, -0.0000888900000000 ] - [ -0.0003006700000000, 0.0002039600000000, 0.0004367800000000 ] - [ 0.0003427900000000, 0.0002062800000000, 0.0004122900000000 ] - [ 0.0000043300000000, -0.0002768300000000, 0.0004647600000000 ] - [ -0.0002644500000000, -0.0003639900000000, -0.0005448400000000 ] - [ -0.0088614800000000, -0.0004051300000000, 0.0001444200000000 ] - [ -0.0032631300000000, -0.0045718600000000, -0.0006197700000000 ] - [ 0.0000104800000000, -0.0000931900000000, 0.0000163200000000 ] - [ -0.0000353500000000, 0.0000001300000000, 0.0000756800000000 ] - [ -0.0000488900000000, -0.0001142400000000, 0.0000490600000000 ] - [ 0.0001594400000000, 0.0000448500000000, -0.0000124900000000 ] - [ -0.0010122200000000, -0.0012845400000000, 0.0005709500000000 ] - [ 0.0012024200000000, 0.0011187100000000, -0.0008672200000000 ] - [ 0.0177071700000000, 0.0018091900000000, 0.0001151900000000 ] - [ -0.0049029900000000, -0.0006101900000000, 0.0015869300000000 ] - [ -0.0009277300000000, -0.0016720400000000, 0.0009512300000000 ] - [ -0.0002276900000000, 0.0001192400000000, -0.0006230300000000 ] - [ 0.0005933400000000, 0.0004237500000000, -0.0005990300000000 ] - [ -0.0002457700000000, 0.0000669200000000, 0.0008820000000000 ] - [ -0.0004196300000000, -0.0002926100000000, 0.0002647800000000 ] - [ 0.0004447800000000, -0.0004031000000000, 0.0000992100000000 ] - [ -0.0000800300000000, 0.0004777200000000, -0.0000824400000000 ] - [ 0.0002941800000000, 0.0001639300000000, -0.0005613800000000 ] - [ -0.0002992600000000, 0.0001642200000000, -0.0006424700000000 ] - [ -0.0000198600000000, -0.0003288800000000, -0.0005878800000000 ] - [ -0.0003922900000000, -0.0002781000000000, 0.0003671300000000 ] - [ 0.0004169100000000, -0.0001552400000000, 0.0001426400000000 ] - [ 0.0001221300000000, 0.0005624700000000, -0.0001076500000000 ] - [ -0.0000495100000000, 0.0003255300000000, -0.0003835700000000 ] - [ 0.0003514500000000, 0.0001590500000000, -0.0001747500000000 ] - [ -0.0005770400000000, 0.0003665100000000, 0.0010607400000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005496600000000, 0.0001881300000000, 0.0005861300000000 ] - [ -0.0001119000000000, -0.0005700800000000, 0.0005861300000000 ] - [ 0.0005820900000000, 0.0003360700000000, 0.0004902200000000 ] - [ 0.0015637400000000, 0.0013298600000000, 0.0002302800000000 ] - [ 0.0002577000000000, 0.0001487800000000, 0.0038995600000000 ] - [ 0.0019335700000000, 0.0006893100000000, 0.0002302800000000 ] - [ -0.0009551200000000, -0.0000576100000000, -0.0002362300000000 ] - [ -0.0005274500000000, -0.0007983600000000, -0.0002362300000000 ] - [ -0.0003410000000000, -0.0001968700000000, 0.0050483900000000 ] - [ 0.0035742700000000, -0.0006938800000000, -0.0010729600000000 ] - [ -0.0005919300000000, -0.0003417500000000, -0.0009035500000000 ] - [ 0.0011862200000000, 0.0034423500000000, -0.0010729600000000 ] - [ -0.0013477600000000, 0.0010276500000000, 0.0000767300000000 ] - [ 0.0002160900000000, -0.0016810200000000, 0.0000767300000000 ] - [ 0.0007006200000000, 0.0004045000000000, 0.0002719000000000 ] - [ -0.0000191300000000, 0.0009035400000000, 0.0005144400000000 ] - [ -0.0008038800000000, -0.0004641200000000, 0.0002988000000000 ] - [ 0.0007729300000000, -0.0004683400000000, 0.0005144400000000 ] - [ -0.0004056400000000, 0.0001204700000000, 0.0006585000000000 ] - [ -0.0004179400000000, -0.0002413000000000, -0.0001521700000000 ] - [ -0.0000984900000000, -0.0004115300000000, 0.0006585000000000 ] - [ -0.0003052000000000, -0.0001762100000000, -0.0007113200000000 ] - [ 0.0000398700000000, 0.0002055400000000, -0.0010021000000000 ] - [ 0.0001979400000000, -0.0000682400000000, -0.0010021000000000 ] - [ -0.0004702600000000, -0.0002715000000000, -0.0002249100000000 ] - [ -0.0004594500000000, -0.0007584500000000, 0.0004495100000000 ] - [ -0.0008865700000000, -0.0000186700000000, 0.0004495100000000 ] - [ 0.0000148700000000, 0.0000803500000000, -0.0004324500000000 ] - [ 0.0000380400000000, 0.0000219600000000, -0.0004529100000000 ] - [ 0.0000770200000000, -0.0000273000000000, -0.0004324500000000 ] - [ -0.0003281900000000, -0.0002174000000000, 0.0006611900000000 ] - [ 0.0003329500000000, 0.0001922300000000, 0.0007497000000000 ] - [ -0.0003523600000000, -0.0001755200000000, 0.0006611900000000 ] - [ -0.0005291500000000, -0.0003055100000000, -0.0017577600000000 ] - [ -0.0002723200000000, 0.0001009500000000, -0.0007870900000000 ] - [ -0.0000487300000000, -0.0002863100000000, -0.0007870900000000 ] - [ 0.0006302700000000, 0.0003638900000000, 0.0021517100000000 ] - [ -0.0004989900000000, -0.0008785600000000, 0.0007933100000000 ] - [ -0.0010103500000000, 0.0000071400000000, 0.0007933100000000 ] - [ 0.0001901100000000, 0.0008424300000000, -0.0009065400000000 ] - [ 0.0001601500000000, 0.0000924600000000, 0.0002052100000000 ] - [ 0.0008246200000000, -0.0002565700000000, -0.0009065400000000 ] - [ -0.0003611900000000, 0.0002720200000000, -0.0003805500000000 ] - [ 0.0004125300000000, 0.0002381800000000, -0.0003209600000000 ] - [ 0.0000549800000000, -0.0004488100000000, -0.0003805500000000 ] - [ -0.0002878900000000, -0.0001662100000000, 0.0003025500000000 ] - [ -0.0015752700000000, 0.0009007700000000, 0.0006510300000000 ] - [ -0.0000075400000000, -0.0018146100000000, 0.0006510300000000 ] - [ 0.0000113500000000, 0.0000065600000000, -0.0006196100000000 ] - [ 0.0000157300000000, 0.0000445100000000, -0.0006379900000000 ] - [ 0.0000464100000000, -0.0000086300000000, -0.0006379900000000 ] - [ 0.0003013600000000, -0.0003682300000000, 0.0001535600000000 ] - [ 0.0001889300000000, 0.0001090800000000, 0.0003836900000000 ] - [ -0.0001682200000000, 0.0004451000000000, 0.0001535600000000 ] - [ -0.0000428300000000, -0.0000247300000000, -0.0110209800000000 ] - [ 0.0013951900000000, -0.0000716900000000, -0.0008071100000000 ] - [ 0.0006355100000000, 0.0012441100000000, -0.0008071100000000 ] - [ 0.0004322000000000, 0.0002495300000000, -0.0003463900000000 ] - [ -0.0003992500000000, -0.0014848200000000, 0.0008201100000000 ] - [ -0.0014855200000000, 0.0003966500000000, 0.0008201100000000 ] - [ -0.0002035300000000, -0.0001175100000000, 0.0008693000000000 ] - [ -0.0000245700000000, 0.0003036200000000, 0.0012045700000000 ] - [ 0.0002506500000000, -0.0001730900000000, 0.0012045700000000 ] - [ 0.0004176200000000, 0.0002411100000000, 0.0003944600000000 ] - [ -0.0004964000000000, 0.0002223600000000, 0.0002104600000000 ] - [ -0.0000556300000000, -0.0005410800000000, 0.0002104600000000 ] - [ -0.0000934400000000, -0.0000539500000000, 0.0008902600000000 ] - [ -0.0000725500000000, 0.0002538400000000, 0.0012244300000000 ] - [ 0.0001835600000000, -0.0001897500000000, 0.0012244300000000 ] - [ 0.0001956200000000, 0.0001129400000000, -0.0010939100000000 ] - [ 0.0000118900000000, -0.0014401800000000, -0.0011468700000000 ] - [ -0.0012412800000000, 0.0007303900000000, -0.0011468700000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008088800000000, 0.0005984700000000, -0.0004413100000000 ] - [ 0.0001138500000000, -0.0009997500000000, -0.0004413100000000 ] - [ 0.0007791000000000, 0.0004498100000000, -0.0003451100000000 ] - [ -0.0015760200000000, 0.0002397300000000, -0.0003780600000000 ] - [ -0.0016381900000000, -0.0009458100000000, -0.0041237800000000 ] - [ -0.0005804000000000, -0.0014847400000000, -0.0003780600000000 ] - [ -0.0004026400000000, 0.0008483700000000, 0.0003831100000000 ] - [ 0.0005333900000000, -0.0007728800000000, 0.0003831100000000 ] - [ 0.0017121100000000, 0.0009884900000000, -0.0049361400000000 ] - [ -0.0035507100000000, 0.0022544100000000, 0.0009127500000000 ] - [ -0.0007722900000000, -0.0004458800000000, 0.0007576700000000 ] - [ 0.0001770200000000, -0.0042022100000000, 0.0009127500000000 ] - [ 0.0000002100000000, -0.0002419700000000, 0.0000523300000000 ] - [ -0.0002094400000000, 0.0001211700000000, 0.0000523300000000 ] - [ 0.0006766800000000, 0.0003906800000000, -0.0001443400000000 ] - [ 0.0000168900000000, 0.0006665100000000, -0.0006593300000000 ] - [ -0.0005562700000000, -0.0003211600000000, -0.0004455400000000 ] - [ 0.0005856600000000, -0.0003186300000000, -0.0006593300000000 ] - [ -0.0002619600000000, 0.0002685400000000, -0.0001170500000000 ] - [ 0.0011717100000000, 0.0006764900000000, 0.0005546300000000 ] - [ 0.0001015900000000, -0.0003611300000000, -0.0001170500000000 ] - [ -0.0003545100000000, -0.0002046800000000, 0.0001816800000000 ] - [ -0.0000397200000000, 0.0005562700000000, 0.0004701600000000 ] - [ 0.0004618800000000, -0.0003125400000000, 0.0004701600000000 ] - [ 0.0003951300000000, 0.0002281300000000, 0.0000426400000000 ] - [ 0.0004346700000000, 0.0008702700000000, -0.0006687400000000 ] - [ 0.0009710100000000, -0.0000587000000000, -0.0006687400000000 ] - [ -0.0000975400000000, -0.0000337600000000, 0.0006161300000000 ] - [ 0.0000447500000000, 0.0000258400000000, 0.0006386200000000 ] - [ -0.0000780000000000, -0.0000675900000000, 0.0006161300000000 ] - [ -0.0003400300000000, 0.0006017000000000, -0.0001069700000000 ] - [ 0.0003334100000000, 0.0001924900000000, -0.0001951500000000 ] - [ 0.0003510700000000, -0.0005953300000000, -0.0001069700000000 ] - [ -0.0001429500000000, -0.0000825300000000, 0.0012189800000000 ] - [ 0.0002722800000000, 0.0006723600000000, 0.0002394800000000 ] - [ 0.0007184200000000, -0.0001003800000000, 0.0002394800000000 ] - [ -0.0006245200000000, -0.0003605700000000, -0.0021837000000000 ] - [ 0.0005017600000000, 0.0009598700000000, -0.0009576700000000 ] - [ 0.0010821500000000, -0.0000454000000000, -0.0009576700000000 ] - [ -0.0002702500000000, -0.0008054700000000, 0.0010858400000000 ] - [ -0.0000841800000000, -0.0000486000000000, -0.0000314500000000 ] - [ -0.0008326800000000, 0.0001686900000000, 0.0010858400000000 ] - [ -0.0002982500000000, 0.0001100300000000, 0.0009172600000000 ] - [ 0.0002470900000000, 0.0001426600000000, 0.0008561500000000 ] - [ -0.0000538300000000, -0.0003133000000000, 0.0009172600000000 ] - [ -0.0003819100000000, -0.0002204900000000, -0.0008460000000000 ] - [ 0.0015554100000000, -0.0001340800000000, -0.0011913800000000 ] - [ 0.0006615900000000, 0.0014140600000000, -0.0011913800000000 ] - [ -0.0000937900000000, -0.0000541500000000, 0.0004395600000000 ] - [ -0.0000134500000000, 0.0000523400000000, 0.0004581800000000 ] - [ 0.0000386000000000, -0.0000378100000000, 0.0004581800000000 ] - [ -0.0003935100000000, 0.0004144300000000, 0.0000336900000000 ] - [ -0.0001115300000000, -0.0000643900000000, -0.0001951400000000 ] - [ 0.0001621500000000, -0.0005480100000000, 0.0000336900000000 ] - [ -0.0006117100000000, -0.0003531700000000, 0.0120515600000000 ] - [ -0.0008560500000000, -0.0002399100000000, 0.0017301300000000 ] - [ -0.0006357900000000, -0.0006214000000000, 0.0017301300000000 ] - [ 0.0000997800000000, 0.0000576100000000, -0.0005730200000000 ] - [ -0.0001294700000000, 0.0017634100000000, -0.0017251300000000 ] - [ 0.0014624200000000, -0.0009938300000000, -0.0017251300000000 ] - [ -0.0003844400000000, -0.0002219600000000, 0.0000043900000000 ] - [ 0.0006099100000000, -0.0006373500000000, -0.0003273800000000 ] - [ -0.0002470000000000, 0.0008468800000000, -0.0003273800000000 ] - [ 0.0001692600000000, 0.0000977200000000, -0.0012717100000000 ] - [ -0.0000882500000000, 0.0001139000000000, -0.0010892100000000 ] - [ 0.0000545200000000, -0.0001333700000000, -0.0010892100000000 ] - [ -0.0004400000000000, -0.0002540300000000, 0.0000254000000000 ] - [ 0.0006058200000000, -0.0005618900000000, -0.0003074700000000 ] - [ -0.0001837000000000, 0.0008056000000000, -0.0003074700000000 ] - [ 0.0003456700000000, 0.0001995700000000, 0.0001853200000000 ] - [ -0.0005529900000000, 0.0017625000000000, 0.0002378900000000 ] - [ 0.0012498700000000, -0.0013601500000000, 0.0002378900000000 ]