# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8df17b12-d349-4688-887b-ce377435942e/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 Mg(GaS2)2 / C2/c (15) / materials id 667323](https://mdr.nims.go.jp/datasets/edfd6e52-30f9-499c-a0c4-51fc3e99121d) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.370553430000000, -11.282052580000000, 0.009754815000000 ] # a - [ 6.370553430000000, 11.282052580000000, 0.009754815000000 ] # b - [ -2.041725970000000, 0.000000000000000, 6.036265410000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.781352960000000, 0.218647040000000, 0.250000000000000 ] mass: 24.305000 - symbol: Mg # 2 coordinates: [ 0.043878960000000, 0.956121040000000, 0.750000000000000 ] mass: 24.305000 - symbol: Mg # 3 coordinates: [ 0.956121040000000, 0.043878960000000, 0.250000000000000 ] mass: 24.305000 - symbol: Mg # 4 coordinates: [ 0.218647040000000, 0.781352960000000, 0.750000000000000 ] mass: 24.305000 - symbol: Mg # 5 coordinates: [ 0.130907110000000, 0.869092890000000, 0.250000000000000 ] mass: 24.305000 - symbol: Mg # 6 coordinates: [ 0.869092890000000, 0.130907110000000, 0.750000000000000 ] mass: 24.305000 - symbol: Ga # 7 coordinates: [ 0.754095070000000, 0.673400090000000, 0.883344090000000 ] mass: 69.723000 - symbol: Ga # 8 coordinates: [ 0.584406810000000, 0.833989670000000, 0.881808110000000 ] mass: 69.723000 - symbol: Ga # 9 coordinates: [ 0.326599910000000, 0.245904930000000, 0.616655910000000 ] mass: 69.723000 - symbol: Ga # 10 coordinates: [ 0.415593190000000, 0.166010330000000, 0.118191890000000 ] mass: 69.723000 - symbol: Ga # 11 coordinates: [ 0.166010330000000, 0.415593190000000, 0.618191890000000 ] mass: 69.723000 - symbol: Ga # 12 coordinates: [ 0.885375510000000, 0.485167430000000, 0.854081700000000 ] mass: 69.723000 - symbol: Ga # 13 coordinates: [ 0.673400090000000, 0.754095070000000, 0.383344090000000 ] mass: 69.723000 - symbol: Ga # 14 coordinates: [ 0.114624490000000, 0.514832570000000, 0.145918300000000 ] mass: 69.723000 - symbol: Ga # 15 coordinates: [ 0.245904930000000, 0.326599910000000, 0.116655910000000 ] mass: 69.723000 - symbol: Ga # 16 coordinates: [ 0.833989670000000, 0.584406810000000, 0.381808110000000 ] mass: 69.723000 - symbol: Ga # 17 coordinates: [ 0.514832570000000, 0.114624490000000, 0.645918300000000 ] mass: 69.723000 - symbol: Ga # 18 coordinates: [ 0.485167430000000, 0.885375510000000, 0.354081700000000 ] mass: 69.723000 - symbol: S # 19 coordinates: [ 0.024419490000000, 0.759835150000000, 0.521686750000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.344183480000000, 0.910545640000000, 0.495407340000000 ] mass: 32.065000 - symbol: S # 21 coordinates: [ 0.256240860000000, 0.491641740000000, 0.000232940000000 ] mass: 32.065000 - symbol: S # 22 coordinates: [ 0.583551920000000, 0.190162040000000, 0.012872500000000 ] mass: 32.065000 - symbol: S # 23 coordinates: [ 0.405775540000000, 0.324740520000000, 0.000944820000000 ] mass: 32.065000 - symbol: S # 24 coordinates: [ 0.491641740000000, 0.256240860000000, 0.500232940000000 ] mass: 32.065000 - symbol: S # 25 coordinates: [ 0.089454360000000, 0.655816520000000, 0.004592660000000 ] mass: 32.065000 - symbol: S # 26 coordinates: [ 0.594224460000000, 0.675259480000000, 0.999055180000000 ] mass: 32.065000 - symbol: S # 27 coordinates: [ 0.910545640000000, 0.344183480000000, 0.995407340000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.759835150000000, 0.024419490000000, 0.021686750000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.416448080000000, 0.809837960000000, 0.987127500000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.190162040000000, 0.583551920000000, 0.512872500000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.743759140000000, 0.508358260000000, 0.999767060000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.975580510000000, 0.240164850000000, 0.478313250000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.938568160000000, 0.849829520000000, 0.022330200000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.061431840000000, 0.150170480000000, 0.977669800000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.150170480000000, 0.061431840000000, 0.477669800000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.655816520000000, 0.089454360000000, 0.504592660000000 ] mass: 32.065000 - symbol: S # 37 coordinates: [ 0.849829520000000, 0.938568160000000, 0.522330200000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.240164850000000, 0.975580510000000, 0.978313250000000 ] mass: 32.065000 - symbol: S # 39 coordinates: [ 0.809837960000000, 0.416448080000000, 0.487127500000000 ] mass: 32.065000 - symbol: S # 40 coordinates: [ 0.675259480000000, 0.594224460000000, 0.499055180000000 ] mass: 32.065000 - symbol: S # 41 coordinates: [ 0.324740520000000, 0.405775540000000, 0.500944820000000 ] mass: 32.065000 - symbol: S # 42 coordinates: [ 0.508358260000000, 0.743759140000000, 0.499767060000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.078445487442685, -0.044318176719577, 0.026533655838874 ] # a* - [ 0.078445487442685, 0.044318176719577, 0.026533655838874 ] # b* - [ -0.000253541276141, 0.000000000000000, 0.165579587759054 ] # c*unit_cell: lattice: - [ 12.741106860000000, 0.000000000000000, 0.019509630000000 ] # a - [ 0.000000000000000, 22.564105160000000, 0.000000000000000 ] # b - [ -2.041725970000000, 0.000000000000000, 6.036265410000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.500000000000000, 0.718647040000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.000000000000000, 0.956121040000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.500000000000000, 0.543878960000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.000000000000000, 0.781352960000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.000000000000000, 0.869092890000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.500000000000000, 0.630907110000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 7 coordinates: [ 0.000000000000000, 0.218647040000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 8 coordinates: [ 0.500000000000000, 0.456121040000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 9 coordinates: [ 0.000000000000000, 0.043878960000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 10 coordinates: [ 0.500000000000000, 0.281352960000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 11 coordinates: [ 0.500000000000000, 0.369092890000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 12 coordinates: [ 0.000000000000000, 0.130907110000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 6 - symbol: Ga # 13 coordinates: [ 0.713747580000000, 0.959652510000000, 0.883344090000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 14 coordinates: [ 0.209198240000000, 0.624791430000000, 0.881808110000000 ] mass: 69.723000 reduced_to: 14 - symbol: Ga # 15 coordinates: [ 0.286252420000000, 0.959652510000000, 0.616655910000000 ] mass: 69.723000 reduced_to: 15 - symbol: Ga # 16 coordinates: [ 0.290801760000000, 0.875208570000000, 0.118191890000000 ] mass: 69.723000 reduced_to: 16 - symbol: Ga # 17 coordinates: [ 0.790801760000000, 0.624791430000000, 0.618191890000000 ] mass: 69.723000 reduced_to: 17 - symbol: Ga # 18 coordinates: [ 0.685271470000000, 0.799895960000000, 0.854081700000000 ] mass: 69.723000 reduced_to: 18 - symbol: Ga # 19 coordinates: [ 0.213747580000000, 0.540347490000000, 0.383344090000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 20 coordinates: [ 0.814728530000000, 0.700104040000000, 0.145918300000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 21 coordinates: [ 0.786252420000000, 0.540347490000000, 0.116655910000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 22 coordinates: [ 0.709198240000000, 0.875208570000000, 0.381808110000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 23 coordinates: [ 0.314728530000000, 0.799895960000000, 0.645918300000000 ] mass: 69.723000 reduced_to: 23 - symbol: Ga # 24 coordinates: [ 0.185271470000000, 0.700104040000000, 0.354081700000000 ] mass: 69.723000 reduced_to: 24 - symbol: Ga # 25 coordinates: [ 0.213747580000000, 0.459652510000000, 0.883344090000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 26 coordinates: [ 0.709198240000000, 0.124791430000000, 0.881808110000000 ] mass: 69.723000 reduced_to: 14 - symbol: Ga # 27 coordinates: [ 0.786252420000000, 0.459652510000000, 0.616655910000000 ] mass: 69.723000 reduced_to: 15 - symbol: Ga # 28 coordinates: [ 0.790801760000000, 0.375208570000000, 0.118191890000000 ] mass: 69.723000 reduced_to: 16 - symbol: Ga # 29 coordinates: [ 0.290801760000000, 0.124791430000000, 0.618191890000000 ] mass: 69.723000 reduced_to: 17 - symbol: Ga # 30 coordinates: [ 0.185271470000000, 0.299895960000000, 0.854081700000000 ] mass: 69.723000 reduced_to: 18 - symbol: Ga # 31 coordinates: [ 0.713747580000000, 0.040347490000000, 0.383344090000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 32 coordinates: [ 0.314728530000000, 0.200104040000000, 0.145918300000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 33 coordinates: [ 0.286252420000000, 0.040347490000000, 0.116655910000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 34 coordinates: [ 0.209198240000000, 0.375208570000000, 0.381808110000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 35 coordinates: [ 0.814728530000000, 0.299895960000000, 0.645918300000000 ] mass: 69.723000 reduced_to: 23 - symbol: Ga # 36 coordinates: [ 0.685271470000000, 0.200104040000000, 0.354081700000000 ] mass: 69.723000 reduced_to: 24 - symbol: S # 37 coordinates: [ 0.892127320000000, 0.867707830000000, 0.521686750000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.127364560000000, 0.783181080000000, 0.495407340000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.873941300000000, 0.617700440000000, 0.000232940000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.386856980000000, 0.803305060000000, 0.012872500000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.365258030000000, 0.959482490000000, 0.000944820000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.373941300000000, 0.882299560000000, 0.500232940000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.872635440000000, 0.783181080000000, 0.004592660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.134741970000000, 0.540517510000000, 0.999055180000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.627364560000000, 0.716818920000000, 0.995407340000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.392127320000000, 0.632292170000000, 0.021686750000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.113143020000000, 0.696694940000000, 0.987127500000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.886856980000000, 0.696694940000000, 0.512872500000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.626058700000000, 0.882299560000000, 0.999767060000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.607872680000000, 0.632292170000000, 0.478313250000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.894198840000000, 0.955630680000000, 0.022330200000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.605801160000000, 0.544369320000000, 0.977669800000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.105801160000000, 0.955630680000000, 0.477669800000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.372635440000000, 0.716818920000000, 0.504592660000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.394198840000000, 0.544369320000000, 0.522330200000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.107872680000000, 0.867707830000000, 0.978313250000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 57 coordinates: [ 0.613143020000000, 0.803305060000000, 0.487127500000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.634741970000000, 0.959482490000000, 0.499055180000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 59 coordinates: [ 0.865258030000000, 0.540517510000000, 0.500944820000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 60 coordinates: [ 0.126058700000000, 0.617700440000000, 0.499767060000000 ] mass: 32.065000 reduced_to: 60 - symbol: S # 61 coordinates: [ 0.392127320000000, 0.367707830000000, 0.521686750000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 62 coordinates: [ 0.627364560000000, 0.283181080000000, 0.495407340000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 63 coordinates: [ 0.373941300000000, 0.117700440000000, 0.000232940000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 64 coordinates: [ 0.886856980000000, 0.303305060000000, 0.012872500000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 65 coordinates: [ 0.865258030000000, 0.459482490000000, 0.000944820000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 66 coordinates: [ 0.873941300000000, 0.382299560000000, 0.500232940000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 67 coordinates: [ 0.372635440000000, 0.283181080000000, 0.004592660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 68 coordinates: [ 0.634741970000000, 0.040517510000000, 0.999055180000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 69 coordinates: [ 0.127364560000000, 0.216818920000000, 0.995407340000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 70 coordinates: [ 0.892127320000000, 0.132292170000000, 0.021686750000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 71 coordinates: [ 0.613143020000000, 0.196694940000000, 0.987127500000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 72 coordinates: [ 0.386856980000000, 0.196694940000000, 0.512872500000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 73 coordinates: [ 0.126058700000000, 0.382299560000000, 0.999767060000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 74 coordinates: [ 0.107872680000000, 0.132292170000000, 0.478313250000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 75 coordinates: [ 0.394198840000000, 0.455630680000000, 0.022330200000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 76 coordinates: [ 0.105801160000000, 0.044369320000000, 0.977669800000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 77 coordinates: [ 0.605801160000000, 0.455630680000000, 0.477669800000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 78 coordinates: [ 0.872635440000000, 0.216818920000000, 0.504592660000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 79 coordinates: [ 0.894198840000000, 0.044369320000000, 0.522330200000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 80 coordinates: [ 0.607872680000000, 0.367707830000000, 0.978313250000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 81 coordinates: [ 0.113143020000000, 0.303305060000000, 0.487127500000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 82 coordinates: [ 0.134741970000000, 0.459482490000000, 0.499055180000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 83 coordinates: [ 0.365258030000000, 0.040517510000000, 0.500944820000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 84 coordinates: [ 0.626058700000000, 0.117700440000000, 0.499767060000000 ] mass: 32.065000 reduced_to: 60supercell: lattice: - [ 12.741106860000000, 0.000000000000000, 0.019509630000000 ] # a - [ 0.000000000000000, 22.564105160000000, 0.000000000000000 ] # b - [ -2.041725970000000, 0.000000000000000, 6.036265410000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.500000000000000, 0.718647040000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.000000000000000, 0.956121040000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 3 coordinates: [ 0.500000000000000, 0.543878960000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.000000000000000, 0.781352960000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 5 coordinates: [ 0.000000000000000, 0.869092890000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 6 coordinates: [ 0.500000000000000, 0.630907110000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 6 - symbol: Mg # 7 coordinates: [ 0.000000000000000, 0.218647040000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 8 coordinates: [ 0.500000000000000, 0.456121040000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 2 - symbol: Mg # 9 coordinates: [ 0.000000000000000, 0.043878960000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 10 coordinates: [ 0.500000000000000, 0.281352960000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 4 - symbol: Mg # 11 coordinates: [ 0.500000000000000, 0.369092890000000, 0.250000000000000 ] mass: 24.305000 reduced_to: 5 - symbol: Mg # 12 coordinates: [ 0.000000000000000, 0.130907110000000, 0.750000000000000 ] mass: 24.305000 reduced_to: 6 - symbol: Ga # 13 coordinates: [ 0.713747580000000, 0.959652510000000, 0.883344090000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 14 coordinates: [ 0.209198240000000, 0.624791430000000, 0.881808110000000 ] mass: 69.723000 reduced_to: 14 - symbol: Ga # 15 coordinates: [ 0.286252420000000, 0.959652510000000, 0.616655910000000 ] mass: 69.723000 reduced_to: 15 - symbol: Ga # 16 coordinates: [ 0.290801760000000, 0.875208570000000, 0.118191890000000 ] mass: 69.723000 reduced_to: 16 - symbol: Ga # 17 coordinates: [ 0.790801760000000, 0.624791430000000, 0.618191890000000 ] mass: 69.723000 reduced_to: 17 - symbol: Ga # 18 coordinates: [ 0.685271470000000, 0.799895960000000, 0.854081700000000 ] mass: 69.723000 reduced_to: 18 - symbol: Ga # 19 coordinates: [ 0.213747580000000, 0.540347490000000, 0.383344090000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 20 coordinates: [ 0.814728530000000, 0.700104040000000, 0.145918300000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 21 coordinates: [ 0.786252420000000, 0.540347490000000, 0.116655910000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 22 coordinates: [ 0.709198240000000, 0.875208570000000, 0.381808110000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 23 coordinates: [ 0.314728530000000, 0.799895960000000, 0.645918300000000 ] mass: 69.723000 reduced_to: 23 - symbol: Ga # 24 coordinates: [ 0.185271470000000, 0.700104040000000, 0.354081700000000 ] mass: 69.723000 reduced_to: 24 - symbol: Ga # 25 coordinates: [ 0.213747580000000, 0.459652510000000, 0.883344090000000 ] mass: 69.723000 reduced_to: 13 - symbol: Ga # 26 coordinates: [ 0.709198240000000, 0.124791430000000, 0.881808110000000 ] mass: 69.723000 reduced_to: 14 - symbol: Ga # 27 coordinates: [ 0.786252420000000, 0.459652510000000, 0.616655910000000 ] mass: 69.723000 reduced_to: 15 - symbol: Ga # 28 coordinates: [ 0.790801760000000, 0.375208570000000, 0.118191890000000 ] mass: 69.723000 reduced_to: 16 - symbol: Ga # 29 coordinates: [ 0.290801760000000, 0.124791430000000, 0.618191890000000 ] mass: 69.723000 reduced_to: 17 - symbol: Ga # 30 coordinates: [ 0.185271470000000, 0.299895960000000, 0.854081700000000 ] mass: 69.723000 reduced_to: 18 - symbol: Ga # 31 coordinates: [ 0.713747580000000, 0.040347490000000, 0.383344090000000 ] mass: 69.723000 reduced_to: 19 - symbol: Ga # 32 coordinates: [ 0.314728530000000, 0.200104040000000, 0.145918300000000 ] mass: 69.723000 reduced_to: 20 - symbol: Ga # 33 coordinates: [ 0.286252420000000, 0.040347490000000, 0.116655910000000 ] mass: 69.723000 reduced_to: 21 - symbol: Ga # 34 coordinates: [ 0.209198240000000, 0.375208570000000, 0.381808110000000 ] mass: 69.723000 reduced_to: 22 - symbol: Ga # 35 coordinates: [ 0.814728530000000, 0.299895960000000, 0.645918300000000 ] mass: 69.723000 reduced_to: 23 - symbol: Ga # 36 coordinates: [ 0.685271470000000, 0.200104040000000, 0.354081700000000 ] mass: 69.723000 reduced_to: 24 - symbol: S # 37 coordinates: [ 0.892127320000000, 0.867707830000000, 0.521686750000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.127364560000000, 0.783181080000000, 0.495407340000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.873941300000000, 0.617700440000000, 0.000232940000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.386856980000000, 0.803305060000000, 0.012872500000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.365258030000000, 0.959482490000000, 0.000944820000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.373941300000000, 0.882299560000000, 0.500232940000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.872635440000000, 0.783181080000000, 0.004592660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.134741970000000, 0.540517510000000, 0.999055180000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.627364560000000, 0.716818920000000, 0.995407340000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.392127320000000, 0.632292170000000, 0.021686750000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.113143020000000, 0.696694940000000, 0.987127500000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.886856980000000, 0.696694940000000, 0.512872500000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.626058700000000, 0.882299560000000, 0.999767060000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.607872680000000, 0.632292170000000, 0.478313250000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.894198840000000, 0.955630680000000, 0.022330200000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.605801160000000, 0.544369320000000, 0.977669800000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.105801160000000, 0.955630680000000, 0.477669800000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.372635440000000, 0.716818920000000, 0.504592660000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.394198840000000, 0.544369320000000, 0.522330200000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.107872680000000, 0.867707830000000, 0.978313250000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 57 coordinates: [ 0.613143020000000, 0.803305060000000, 0.487127500000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.634741970000000, 0.959482490000000, 0.499055180000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 59 coordinates: [ 0.865258030000000, 0.540517510000000, 0.500944820000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 60 coordinates: [ 0.126058700000000, 0.617700440000000, 0.499767060000000 ] mass: 32.065000 reduced_to: 60 - symbol: S # 61 coordinates: [ 0.392127320000000, 0.367707830000000, 0.521686750000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 62 coordinates: [ 0.627364560000000, 0.283181080000000, 0.495407340000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 63 coordinates: [ 0.373941300000000, 0.117700440000000, 0.000232940000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 64 coordinates: [ 0.886856980000000, 0.303305060000000, 0.012872500000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 65 coordinates: [ 0.865258030000000, 0.459482490000000, 0.000944820000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 66 coordinates: [ 0.873941300000000, 0.382299560000000, 0.500232940000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 67 coordinates: [ 0.372635440000000, 0.283181080000000, 0.004592660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 68 coordinates: [ 0.634741970000000, 0.040517510000000, 0.999055180000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 69 coordinates: [ 0.127364560000000, 0.216818920000000, 0.995407340000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 70 coordinates: [ 0.892127320000000, 0.132292170000000, 0.021686750000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 71 coordinates: [ 0.613143020000000, 0.196694940000000, 0.987127500000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 72 coordinates: [ 0.386856980000000, 0.196694940000000, 0.512872500000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 73 coordinates: [ 0.126058700000000, 0.382299560000000, 0.999767060000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 74 coordinates: [ 0.107872680000000, 0.132292170000000, 0.478313250000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 75 coordinates: [ 0.394198840000000, 0.455630680000000, 0.022330200000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 76 coordinates: [ 0.105801160000000, 0.044369320000000, 0.977669800000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 77 coordinates: [ 0.605801160000000, 0.455630680000000, 0.477669800000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 78 coordinates: [ 0.872635440000000, 0.216818920000000, 0.504592660000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 79 coordinates: [ 0.894198840000000, 0.044369320000000, 0.522330200000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 80 coordinates: [ 0.607872680000000, 0.367707830000000, 0.978313250000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 81 coordinates: [ 0.113143020000000, 0.303305060000000, 0.487127500000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 82 coordinates: [ 0.134741970000000, 0.459482490000000, 0.499055180000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 83 coordinates: [ 0.365258030000000, 0.040517510000000, 0.500944820000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 84 coordinates: [ 0.626058700000000, 0.117700440000000, 0.499767060000000 ] mass: 32.065000 reduced_to: 60displacements:- atom: 1 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ -0.0362905800000000, 0.0004287900000000, -0.0011301700000000 ] - [ 0.0008849400000000, 0.0000456300000000, 0.0003655300000000 ] - [ -0.0032910000000000, -0.0000445500000000, -0.0025143200000000 ] - [ 0.0030258700000000, -0.0004049800000000, 0.0003286300000000 ] - [ 0.0019069400000000, -0.0000732300000000, 0.0010045800000000 ] - [ -0.0075499000000000, 0.0000665300000000, -0.0022378300000000 ] - [ 0.0002394500000000, 0.0004083600000000, 0.0001272700000000 ] - [ -0.0009845300000000, 0.0000441600000000, -0.0004339100000000 ] - [ 0.0004965300000000, -0.0000446600000000, 0.0002093000000000 ] - [ -0.0003034500000000, -0.0004083500000000, -0.0001686900000000 ] - [ -0.0004746400000000, -0.0000725400000000, -0.0003260200000000 ] - [ 0.0002895600000000, 0.0000719000000000, 0.0001542700000000 ] - [ 0.0007683500000000, 0.0012794600000000, 0.0002228200000000 ] - [ 0.0031294200000000, 0.0015563400000000, 0.0006265500000000 ] - [ 0.0016064200000000, -0.0012014300000000, 0.0003473100000000 ] - [ 0.0031966800000000, -0.0027478500000000, 0.0001837200000000 ] - [ 0.0031064400000000, -0.0015975700000000, 0.0006312300000000 ] - [ 0.0025921500000000, 0.0053025400000000, 0.0024111900000000 ] - [ -0.0005836900000000, 0.0011690800000000, -0.0000189700000000 ] - [ 0.0058109100000000, -0.0014621000000000, 0.0020043600000000 ] - [ 0.0002585900000000, -0.0012466100000000, 0.0001040400000000 ] - [ 0.0031957100000000, 0.0027689900000000, 0.0002036400000000 ] - [ 0.0025386200000000, -0.0047208900000000, 0.0013872300000000 ] - [ 0.0057990800000000, 0.0008957700000000, 0.0030603200000000 ] - [ -0.0005240600000000, 0.0006443700000000, -0.0000007400000000 ] - [ 0.0003042200000000, 0.0003727500000000, 0.0000388600000000 ] - [ 0.0003156300000000, -0.0005674800000000, 0.0001200500000000 ] - [ -0.0001536900000000, -0.0002928100000000, -0.0000068100000000 ] - [ 0.0003026000000000, -0.0003870900000000, 0.0000378200000000 ] - [ -0.0000344400000000, 0.0004055200000000, 0.0005647100000000 ] - [ 0.0003043600000000, 0.0006897900000000, -0.0001372300000000 ] - [ 0.0001603800000000, -0.0004572500000000, -0.0005802700000000 ] - [ 0.0011438400000000, -0.0007661400000000, -0.0000188500000000 ] - [ -0.0001512400000000, 0.0003069600000000, -0.0000042200000000 ] - [ -0.0000590800000000, 0.0001534400000000, -0.0004721400000000 ] - [ 0.0001840300000000, -0.0001016300000000, 0.0004565100000000 ] - [ -0.0017841900000000, -0.0000525800000000, -0.0003133000000000 ] - [ -0.0029740600000000, 0.0011082900000000, -0.0005699700000000 ] - [ -0.0008030000000000, 0.0017345000000000, -0.0001412000000000 ] - [ 0.0001294400000000, -0.0049484300000000, 0.0037430900000000 ] - [ -0.0004994000000000, 0.0015290700000000, -0.0005478800000000 ] - [ -0.0008509500000000, 0.0016541200000000, -0.0008940200000000 ] - [ -0.0033870400000000, -0.0015151300000000, -0.0010815100000000 ] - [ -0.0002048700000000, -0.0006833700000000, 0.0004963900000000 ] - [ 0.0083080700000000, -0.0023061000000000, -0.0075457000000000 ] - [ 0.0044843800000000, 0.0032716000000000, 0.0048280700000000 ] - [ -0.0014521200000000, 0.0000960600000000, -0.0012761400000000 ] - [ -0.0015475100000000, -0.0003982700000000, -0.0011693600000000 ] - [ -0.0008628300000000, -0.0023421000000000, -0.0012256200000000 ] - [ 0.0049439200000000, -0.0038803200000000, 0.0045706700000000 ] - [ -0.0002526600000000, -0.0002857500000000, -0.0002455100000000 ] - [ 0.0007620500000000, 0.0011780400000000, 0.0001599100000000 ] - [ -0.0011460600000000, 0.0003435600000000, -0.0002306200000000 ] - [ 0.0074339000000000, 0.0027014500000000, -0.0076923900000000 ] - [ 0.0016552100000000, -0.0012324900000000, 0.0001448300000000 ] - [ -0.0013371600000000, 0.0005987200000000, -0.0006208900000000 ] - [ 0.0001928300000000, 0.0053153600000000, 0.0036754500000000 ] - [ -0.0006977800000000, -0.0014613900000000, 0.0000619900000000 ] - [ 0.0000020400000000, 0.0006207400000000, -0.0001195000000000 ] - [ -0.0008116500000000, -0.0010530600000000, -0.0004795200000000 ] - [ 0.0000158600000000, 0.0001236900000000, 0.0002201600000000 ] - [ 0.0002683900000000, -0.0002522500000000, 0.0002648300000000 ] - [ -0.0001773200000000, 0.0007537900000000, 0.0001507700000000 ] - [ -0.0001067300000000, 0.0002925000000000, 0.0000286300000000 ] - [ 0.0003024300000000, 0.0003924600000000, -0.0002578900000000 ] - [ 0.0000873400000000, -0.0001252400000000, 0.0001898300000000 ] - [ -0.0001479300000000, -0.0001554000000000, -0.0002531300000000 ] - [ -0.0004026000000000, -0.0006380300000000, 0.0002083900000000 ] - [ 0.0001131400000000, 0.0001704100000000, 0.0002510900000000 ] - [ -0.0004669400000000, -0.0003605700000000, 0.0000847200000000 ] - [ 0.0001177800000000, -0.0003444400000000, -0.0000254500000000 ] - [ 0.0000254800000000, 0.0000366800000000, 0.0000833700000000 ] - [ 0.0000816500000000, -0.0005540900000000, -0.0001391700000000 ] - [ -0.0000136800000000, -0.0001879800000000, -0.0002230700000000 ] - [ 0.0008716700000000, -0.0006533900000000, 0.0001148700000000 ] - [ -0.0008853400000000, 0.0001556500000000, -0.0001044300000000 ] - [ -0.0000208500000000, 0.0007111000000000, 0.0001304200000000 ] - [ -0.0003034000000000, 0.0002359300000000, -0.0002676900000000 ] - [ 0.0000013400000000, -0.0002155400000000, -0.0001224200000000 ] - [ 0.0004714200000000, 0.0004243500000000, -0.0000861400000000 ] - [ -0.0000140200000000, 0.0000152700000000, -0.0000808300000000 ] - [ 0.0001039600000000, -0.0003326900000000, 0.0003537700000000 ] - [ -0.0002021500000000, 0.0005776800000000, -0.0004074400000000 ] - [ -0.0001804500000000, -0.0000756000000000, -0.0001801700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0599966000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008720000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0036984300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0032424400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006723700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016447800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016414600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014605000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009324600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009308000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013175500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012084100000000, 0.0000000000000000 ] - [ -0.0001113100000000, 0.0014592700000000, 0.0004177400000000 ] - [ 0.0072298300000000, -0.0019600200000000, 0.0015819600000000 ] - [ 0.0001113100000000, 0.0014592700000000, -0.0004177400000000 ] - [ -0.0025774500000000, 0.0031400200000000, 0.0013547600000000 ] - [ -0.0072298300000000, -0.0019600200000000, -0.0015819600000000 ] - [ -0.0000638500000000, -0.0048550100000000, 0.0068047300000000 ] - [ 0.0010474400000000, 0.0001971900000000, -0.0001663800000000 ] - [ 0.0005928900000000, -0.0033222500000000, 0.0007230100000000 ] - [ -0.0010474400000000, 0.0001971900000000, 0.0001663800000000 ] - [ 0.0025774500000000, 0.0031400200000000, -0.0013547600000000 ] - [ 0.0000638500000000, -0.0048550100000000, -0.0068047300000000 ] - [ -0.0005928900000000, -0.0033222500000000, -0.0007230100000000 ] - [ 0.0000736800000000, 0.0012633300000000, 0.0000604000000000 ] - [ 0.0002065300000000, 0.0012124100000000, 0.0000798600000000 ] - [ -0.0000736800000000, 0.0012633300000000, -0.0000604000000000 ] - [ -0.0001160000000000, 0.0011040500000000, 0.0000018000000000 ] - [ -0.0002065300000000, 0.0012124100000000, -0.0000798600000000 ] - [ -0.0002586900000000, 0.0015655500000000, 0.0003240200000000 ] - [ 0.0000260300000000, 0.0013974200000000, -0.0001290700000000 ] - [ -0.0003709500000000, 0.0011066600000000, -0.0007131400000000 ] - [ -0.0000260300000000, 0.0013974200000000, 0.0001290700000000 ] - [ 0.0001160000000000, 0.0011040500000000, -0.0000018000000000 ] - [ 0.0002586900000000, 0.0015655500000000, -0.0003240200000000 ] - [ 0.0003709500000000, 0.0011066600000000, 0.0007131400000000 ] - [ -0.0019741300000000, 0.0003541000000000, -0.0000082700000000 ] - [ 0.0005300200000000, 0.0021093000000000, 0.0018624100000000 ] - [ 0.0006262700000000, 0.0017905700000000, 0.0019656200000000 ] - [ -0.0065736600000000, 0.0131684400000000, -0.0070682900000000 ] - [ 0.0004724200000000, -0.0015755700000000, -0.0002465100000000 ] - [ 0.0001546100000000, -0.0006761400000000, 0.0013066700000000 ] - [ -0.0005300200000000, 0.0021093000000000, -0.0018624100000000 ] - [ -0.0014818000000000, -0.0010073100000000, 0.0003479000000000 ] - [ -0.0004408500000000, 0.0048891000000000, -0.0000364900000000 ] - [ 0.0031291500000000, 0.0155739600000000, 0.0090793400000000 ] - [ -0.0014405000000000, 0.0021653600000000, 0.0002087200000000 ] - [ 0.0014405000000000, 0.0021653600000000, -0.0002087200000000 ] - [ -0.0001546100000000, -0.0006761400000000, -0.0013066700000000 ] - [ -0.0031291500000000, 0.0155739600000000, -0.0090793400000000 ] - [ 0.0002823500000000, -0.0004224500000000, -0.0000802700000000 ] - [ 0.0001717200000000, -0.0009016500000000, 0.0002936800000000 ] - [ -0.0002823500000000, -0.0004224500000000, 0.0000802700000000 ] - [ 0.0004408500000000, 0.0048891000000000, 0.0000364900000000 ] - [ -0.0001717200000000, -0.0009016500000000, -0.0002936800000000 ] - [ 0.0019741300000000, 0.0003541000000000, 0.0000082700000000 ] - [ 0.0065736600000000, 0.0131684400000000, 0.0070682900000000 ] - [ -0.0004724200000000, -0.0015755700000000, 0.0002465100000000 ] - [ 0.0014818000000000, -0.0010073100000000, -0.0003479000000000 ] - [ -0.0006262700000000, 0.0017905700000000, -0.0019656200000000 ] - [ -0.0002355900000000, -0.0006123200000000, 0.0001834700000000 ] - [ 0.0003416300000000, -0.0012252700000000, 0.0001196000000000 ] - [ 0.0001041400000000, -0.0008539800000000, 0.0001730900000000 ] - [ 0.0002355900000000, -0.0006546200000000, -0.0000373000000000 ] - [ 0.0003831200000000, -0.0006994500000000, -0.0002780100000000 ] - [ 0.0000433300000000, -0.0012990700000000, 0.0001767600000000 ] - [ -0.0003416300000000, -0.0012252700000000, -0.0001196000000000 ] - [ -0.0002018700000000, -0.0010278500000000, 0.0002585400000000 ] - [ 0.0001592800000000, -0.0006879300000000, 0.0003996400000000 ] - [ -0.0003535100000000, -0.0010347300000000, 0.0000910200000000 ] - [ 0.0003307300000000, -0.0010397300000000, -0.0001336600000000 ] - [ -0.0003307300000000, -0.0010397300000000, 0.0001336600000000 ] - [ -0.0000433300000000, -0.0012990700000000, -0.0001767600000000 ] - [ 0.0003535100000000, -0.0010347300000000, -0.0000910200000000 ] - [ 0.0003246100000000, -0.0011586700000000, -0.0000544300000000 ] - [ -0.0002877900000000, -0.0007354100000000, 0.0000397400000000 ] - [ -0.0003246100000000, -0.0011586700000000, 0.0000544300000000 ] - [ -0.0001592800000000, -0.0006879300000000, -0.0003996400000000 ] - [ 0.0002877900000000, -0.0007354100000000, -0.0000397400000000 ] - [ 0.0002355900000000, -0.0006123200000000, -0.0001834700000000 ] - [ -0.0002355900000000, -0.0006546200000000, 0.0000373000000000 ] - [ -0.0003831200000000, -0.0006994500000000, 0.0002780100000000 ] - [ 0.0002018700000000, -0.0010278500000000, -0.0002585400000000 ] - [ -0.0001041400000000, -0.0008539800000000, -0.0001730900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0608474900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007651000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0038343600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024384200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005562600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017705600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008363800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013588800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010308000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017319600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0014272800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010927700000000, 0.0000000000000000 ] - [ -0.0006982100000000, -0.0013809300000000, -0.0005332000000000 ] - [ -0.0071883800000000, 0.0019354500000000, -0.0015723600000000 ] - [ 0.0006982100000000, -0.0013809300000000, 0.0005332000000000 ] - [ 0.0025341600000000, -0.0031097500000000, -0.0013825400000000 ] - [ 0.0071883800000000, 0.0019354500000000, 0.0015723600000000 ] - [ 0.0000886000000000, 0.0053978000000000, -0.0057514200000000 ] - [ -0.0018652000000000, -0.0002687400000000, 0.0000533400000000 ] - [ -0.0006370600000000, 0.0027735800000000, -0.0017700000000000 ] - [ 0.0018652000000000, -0.0002687400000000, -0.0000533400000000 ] - [ -0.0025341600000000, -0.0031097500000000, 0.0013825400000000 ] - [ -0.0000886000000000, 0.0053978000000000, 0.0057514200000000 ] - [ 0.0006370600000000, 0.0027735800000000, 0.0017700000000000 ] - [ -0.0008780200000000, -0.0011864700000000, -0.0001704700000000 ] - [ -0.0001643200000000, -0.0012231300000000, -0.0000660800000000 ] - [ 0.0008780200000000, -0.0011864700000000, 0.0001704700000000 ] - [ 0.0000669700000000, -0.0010906900000000, -0.0000192900000000 ] - [ 0.0001643200000000, -0.0012231300000000, 0.0000660800000000 ] - [ 0.0002861700000000, -0.0010127300000000, 0.0007134600000000 ] - [ -0.0008222100000000, -0.0014716700000000, 0.0000252300000000 ] - [ 0.0003468100000000, -0.0016594600000000, -0.0003205200000000 ] - [ 0.0008222100000000, -0.0014716700000000, -0.0000252300000000 ] - [ -0.0000669700000000, -0.0010906900000000, 0.0000192900000000 ] - [ -0.0002861700000000, -0.0010127300000000, -0.0007134600000000 ] - [ -0.0003468100000000, -0.0016594600000000, 0.0003205200000000 ] - [ 0.0014838900000000, 0.0001852400000000, 0.0003019600000000 ] - [ -0.0000829700000000, -0.0025277200000000, -0.0013369700000000 ] - [ -0.0006255000000000, -0.0011056300000000, -0.0016350700000000 ] - [ 0.0061794900000000, -0.0124640800000000, 0.0067955100000000 ] - [ -0.0002704900000000, 0.0016365200000000, -0.0003715600000000 ] - [ -0.0001590400000000, -0.0000068500000000, -0.0009713000000000 ] - [ 0.0000829700000000, -0.0025277200000000, 0.0013369700000000 ] - [ 0.0012768700000000, 0.0009437000000000, 0.0002637500000000 ] - [ 0.0008359000000000, -0.0044468100000000, 0.0006042300000000 ] - [ -0.0039125400000000, -0.0165895600000000, -0.0092258300000000 ] - [ 0.0015466500000000, -0.0024794700000000, -0.0003113600000000 ] - [ -0.0015466500000000, -0.0024794700000000, 0.0003113600000000 ] - [ 0.0001590400000000, -0.0000068500000000, 0.0009713000000000 ] - [ 0.0039125400000000, -0.0165895600000000, 0.0092258300000000 ] - [ 0.0005777800000000, 0.0004803100000000, 0.0000564600000000 ] - [ -0.0010570900000000, 0.0008505400000000, -0.0002757200000000 ] - [ -0.0005777800000000, 0.0004803100000000, -0.0000564600000000 ] - [ -0.0008359000000000, -0.0044468100000000, -0.0006042300000000 ] - [ 0.0010570900000000, 0.0008505400000000, 0.0002757200000000 ] - [ -0.0014838900000000, 0.0001852400000000, -0.0003019600000000 ] - [ -0.0061794900000000, -0.0124640800000000, -0.0067955100000000 ] - [ 0.0002704900000000, 0.0016365200000000, 0.0003715600000000 ] - [ -0.0012768700000000, 0.0009437000000000, -0.0002637500000000 ] - [ 0.0006255000000000, -0.0011056300000000, 0.0016350700000000 ] - [ -0.0002526600000000, 0.0011508300000000, 0.0001129500000000 ] - [ 0.0001102300000000, 0.0007989400000000, 0.0003985100000000 ] - [ -0.0001083500000000, 0.0015498000000000, 0.0001596000000000 ] - [ -0.0003404700000000, 0.0009697600000000, 0.0001335700000000 ] - [ -0.0001769400000000, 0.0007582500000000, -0.0003417300000000 ] - [ -0.0000485500000000, 0.0006185200000000, 0.0001624600000000 ] - [ -0.0001102300000000, 0.0007989400000000, -0.0003985100000000 ] - [ 0.0000030700000000, 0.0009690100000000, 0.0003481400000000 ] - [ 0.0002934900000000, 0.0011164800000000, 0.0001192300000000 ] - [ -0.0001394900000000, 0.0004978700000000, 0.0002041500000000 ] - [ -0.0002232600000000, 0.0007248300000000, 0.0000416200000000 ] - [ 0.0002232600000000, 0.0007248300000000, -0.0000416200000000 ] - [ 0.0000485500000000, 0.0006185200000000, -0.0001624600000000 ] - [ 0.0001394900000000, 0.0004978700000000, -0.0002041500000000 ] - [ 0.0005300500000000, 0.0012175300000000, 0.0000249200000000 ] - [ -0.0005787400000000, 0.0006811200000000, -0.0000139900000000 ] - [ -0.0005300500000000, 0.0012175300000000, -0.0000249200000000 ] - [ -0.0002934900000000, 0.0011164800000000, -0.0001192300000000 ] - [ 0.0005787400000000, 0.0006811200000000, 0.0000139900000000 ] - [ 0.0002526600000000, 0.0011508300000000, -0.0001129500000000 ] - [ 0.0003404700000000, 0.0009697600000000, -0.0001335700000000 ] - [ 0.0001769400000000, 0.0007582500000000, 0.0003417300000000 ] - [ -0.0000030700000000, 0.0009690100000000, -0.0003481400000000 ] - [ 0.0001083500000000, 0.0015498000000000, -0.0001596000000000 ]- atom: 1 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ 0.0106240200000000, 0.0004234100000000, -0.0432786200000000 ] - [ 0.0001551800000000, 0.0000549000000000, 0.0005093100000000 ] - [ -0.0015058800000000, -0.0000527800000000, -0.0021500100000000 ] - [ -0.0006598800000000, -0.0003909300000000, 0.0011527300000000 ] - [ 0.0000258700000000, -0.0000444600000000, -0.0013583500000000 ] - [ -0.0009160700000000, 0.0000111400000000, 0.0064684300000000 ] - [ 0.0000438200000000, 0.0003912800000000, -0.0000249300000000 ] - [ -0.0001580700000000, 0.0000535000000000, 0.0003274400000000 ] - [ 0.0000545300000000, -0.0000551500000000, -0.0001429700000000 ] - [ -0.0000627100000000, -0.0003899500000000, 0.0000401100000000 ] - [ -0.0001815600000000, -0.0000443900000000, -0.0002618300000000 ] - [ 0.0000709500000000, 0.0000466200000000, 0.0001057000000000 ] - [ -0.0005155500000000, -0.0000920700000000, 0.0007787100000000 ] - [ 0.0032659900000000, -0.0010807700000000, 0.0023197300000000 ] - [ 0.0003133400000000, 0.0001662300000000, 0.0009018200000000 ] - [ 0.0017775300000000, -0.0018308200000000, -0.0029519700000000 ] - [ 0.0032294800000000, 0.0010548200000000, 0.0023232900000000 ] - [ -0.0016399800000000, -0.0047579300000000, 0.0057505500000000 ] - [ -0.0002841500000000, -0.0003746200000000, -0.0008084600000000 ] - [ -0.0048084200000000, 0.0009068400000000, -0.0045412500000000 ] - [ 0.0005511400000000, 0.0002977300000000, -0.0006868800000000 ] - [ 0.0017830200000000, 0.0018530300000000, -0.0029454800000000 ] - [ -0.0016857800000000, 0.0053487500000000, 0.0047478800000000 ] - [ -0.0048235300000000, -0.0014770400000000, -0.0035119600000000 ] - [ -0.0003995500000000, 0.0004345200000000, 0.0002607800000000 ] - [ 0.0000057300000000, 0.0000003900000000, 0.0001639900000000 ] - [ 0.0004309400000000, -0.0003590100000000, 0.0003827000000000 ] - [ -0.0000009200000000, 0.0000268300000000, -0.0001263700000000 ] - [ -0.0000024900000000, -0.0000163800000000, 0.0001639800000000 ] - [ 0.0000035500000000, 0.0003310800000000, 0.0006045700000000 ] - [ 0.0000103700000000, 0.0003214700000000, -0.0004147000000000 ] - [ 0.0000845800000000, -0.0003596100000000, -0.0006326600000000 ] - [ 0.0008467000000000, -0.0003969500000000, -0.0002928100000000 ] - [ 0.0000104400000000, -0.0000113700000000, -0.0001253300000000 ] - [ -0.0000163300000000, 0.0002304700000000, -0.0004308900000000 ] - [ 0.0001052400000000, -0.0002029500000000, 0.0004006300000000 ] - [ -0.0012162500000000, -0.0001117600000000, 0.0002390100000000 ] - [ 0.0023981200000000, -0.0018646100000000, 0.0000643500000000 ] - [ 0.0008483100000000, -0.0009263700000000, -0.0004492800000000 ] - [ 0.0020706300000000, -0.0050899200000000, 0.0051471000000000 ] - [ -0.0001967500000000, 0.0012781300000000, -0.0002466800000000 ] - [ 0.0000269500000000, -0.0010315600000000, 0.0000174900000000 ] - [ 0.0019758700000000, 0.0014538100000000, -0.0004445400000000 ] - [ -0.0010640700000000, -0.0008204600000000, 0.0004589300000000 ] - [ -0.0065647800000000, 0.0022499900000000, 0.0088110600000000 ] - [ 0.0011314600000000, 0.0069580300000000, 0.0045828500000000 ] - [ -0.0001145900000000, 0.0001824500000000, 0.0008174600000000 ] - [ -0.0002024900000000, -0.0004745600000000, 0.0009216700000000 ] - [ 0.0000198900000000, 0.0003394300000000, -0.0003107500000000 ] - [ 0.0016617500000000, -0.0076066900000000, 0.0042807300000000 ] - [ 0.0002948300000000, 0.0002216400000000, -0.0001468900000000 ] - [ -0.0002194500000000, -0.0003515100000000, 0.0002934800000000 ] - [ -0.0006026900000000, -0.0001626900000000, -0.0001332900000000 ] - [ -0.0074793600000000, -0.0018371700000000, 0.0086168600000000 ] - [ 0.0006839900000000, 0.0002934300000000, 0.0002793900000000 ] - [ -0.0007751700000000, 0.0006567700000000, -0.0000711000000000 ] - [ 0.0022267200000000, 0.0054709100000000, 0.0050763600000000 ] - [ -0.0004030300000000, -0.0012158600000000, 0.0003694700000000 ] - [ -0.0008581500000000, 0.0007593000000000, -0.0001503500000000 ] - [ 0.0008428300000000, 0.0016228200000000, -0.0007924100000000 ] - [ -0.0001718600000000, 0.0002971900000000, 0.0001784100000000 ] - [ 0.0002099200000000, -0.0002228600000000, 0.0002654600000000 ] - [ -0.0000747500000000, 0.0006178000000000, 0.0001833100000000 ] - [ -0.0000411600000000, 0.0001233500000000, 0.0000462300000000 ] - [ 0.0001476000000000, -0.0001091900000000, -0.0003027300000000 ] - [ 0.0000015600000000, -0.0002394000000000, 0.0001762600000000 ] - [ -0.0002025400000000, -0.0001853500000000, -0.0002501900000000 ] - [ -0.0001361300000000, 0.0001226400000000, 0.0002663900000000 ] - [ 0.0001723500000000, 0.0001911100000000, 0.0002587700000000 ] - [ -0.0002666000000000, -0.0002645500000000, 0.0001297700000000 ] - [ 0.0000437300000000, -0.0001257200000000, -0.0000427800000000 ] - [ -0.0000404300000000, -0.0001653700000000, 0.0000645900000000 ] - [ -0.0000021500000000, -0.0004479600000000, -0.0001607600000000 ] - [ 0.0001755000000000, -0.0002836200000000, -0.0001801700000000 ] - [ 0.0005627000000000, -0.0004456300000000, 0.0000178400000000 ] - [ -0.0005824500000000, 0.0000596700000000, 0.0000086400000000 ] - [ -0.0003341300000000, 0.0005040400000000, 0.0000320700000000 ] - [ -0.0002415800000000, 0.0002140600000000, -0.0002579400000000 ] - [ 0.0003197100000000, -0.0001208300000000, -0.0000028800000000 ] - [ 0.0002716500000000, 0.0002503900000000, -0.0001302500000000 ] - [ 0.0000439700000000, 0.0001683300000000, -0.0000624500000000 ] - [ -0.0000595300000000, 0.0001676700000000, 0.0003121600000000 ] - [ 0.0000693900000000, -0.0001882500000000, -0.0003430400000000 ] - [ -0.0000808600000000, 0.0000731100000000, -0.0001545200000000 ]- atom: 2 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ 0.0008847000000000, 0.0003927900000000, 0.0004652000000000 ] - [ -0.0531026400000000, 0.0000755300000000, 0.0151519500000000 ] - [ 0.0002178200000000, -0.0000530400000000, 0.0001103500000000 ] - [ -0.0032904700000000, -0.0003933800000000, -0.0027073500000000 ] - [ -0.0077115800000000, -0.0000568300000000, -0.0026063400000000 ] - [ 0.0004505800000000, 0.0000504300000000, 0.0002070500000000 ] - [ -0.0009837500000000, 0.0003940900000000, -0.0004995700000000 ] - [ 0.0001711400000000, 0.0000526800000000, 0.0000767400000000 ] - [ -0.0076250200000000, -0.0000469300000000, -0.0025724600000000 ] - [ 0.0004974400000000, -0.0003935300000000, 0.0002247100000000 ] - [ 0.0002620800000000, -0.0000504800000000, 0.0001473700000000 ] - [ -0.0033092900000000, 0.0000506500000000, -0.0025582700000000 ] - [ 0.0060247900000000, -0.0001585100000000, 0.0018168500000000 ] - [ 0.0003675200000000, -0.0003176400000000, -0.0000043500000000 ] - [ 0.0068831800000000, 0.0002330700000000, 0.0018918900000000 ] - [ 0.0031037300000000, -0.0017427400000000, 0.0009974200000000 ] - [ 0.0003485000000000, 0.0003026600000000, -0.0000101300000000 ] - [ 0.0001410200000000, 0.0015754300000000, 0.0007354900000000 ] - [ -0.0002240200000000, -0.0001741200000000, -0.0000340100000000 ] - [ 0.0003289700000000, 0.0004560800000000, -0.0004856600000000 ] - [ 0.0005955800000000, 0.0000996600000000, 0.0000801500000000 ] - [ 0.0031362000000000, 0.0017282500000000, 0.0009903900000000 ] - [ 0.0001210000000000, -0.0010187000000000, -0.0003035000000000 ] - [ 0.0003536900000000, -0.0010172400000000, 0.0005519900000000 ] - [ -0.0002426500000000, 0.0000148300000000, -0.0000808700000000 ] - [ -0.0000364400000000, -0.0013890900000000, 0.0000068300000000 ] - [ 0.0005757300000000, 0.0000592100000000, 0.0000324600000000 ] - [ 0.0001088000000000, -0.0000480800000000, 0.0000471300000000 ] - [ -0.0000540900000000, 0.0013752700000000, 0.0000027700000000 ] - [ 0.0001836900000000, 0.0005735600000000, 0.0003477100000000 ] - [ 0.0027501500000000, -0.0017295700000000, 0.0010088900000000 ] - [ -0.0000322100000000, 0.0004168600000000, -0.0003638000000000 ] - [ 0.0035550700000000, 0.0016836100000000, 0.0011356700000000 ] - [ 0.0001298100000000, 0.0000624000000000, 0.0000524800000000 ] - [ 0.0001608300000000, -0.0000156600000000, -0.0006931200000000 ] - [ -0.0000087100000000, -0.0009767800000000, 0.0006764500000000 ] - [ 0.0046194600000000, 0.0022530200000000, 0.0040136100000000 ] - [ 0.0005582700000000, 0.0008482500000000, -0.0000180900000000 ] - [ -0.0001305900000000, 0.0000269100000000, 0.0001198100000000 ] - [ -0.0007377800000000, 0.0008601500000000, -0.0000464400000000 ] - [ -0.0008642300000000, 0.0000352600000000, -0.0011345000000000 ] - [ -0.0007314500000000, 0.0007725200000000, -0.0001311200000000 ] - [ 0.0001474500000000, -0.0012533000000000, -0.0005330900000000 ] - [ -0.0001957600000000, 0.0001322200000000, 0.0002763600000000 ] - [ -0.0000785600000000, -0.0002135400000000, 0.0002572700000000 ] - [ -0.0004662200000000, -0.0001345600000000, 0.0000919000000000 ] - [ -0.0002381800000000, 0.0004480700000000, 0.0000155700000000 ] - [ -0.0003290300000000, -0.0007437100000000, 0.0001341300000000 ] - [ -0.0007445900000000, -0.0014500800000000, -0.0004702900000000 ] - [ -0.0000122300000000, -0.0004163400000000, -0.0002146300000000 ] - [ 0.0171362400000000, 0.0000972700000000, -0.0126313200000000 ] - [ -0.0005848300000000, -0.0000939500000000, -0.0000388100000000 ] - [ 0.0168282200000000, -0.0000391900000000, -0.0132167000000000 ] - [ -0.0004966000000000, 0.0006168400000000, -0.0002616100000000 ] - [ 0.0003098700000000, 0.0000328400000000, -0.0000541000000000 ] - [ 0.0050762800000000, -0.0017467900000000, 0.0037426000000000 ] - [ -0.0006512400000000, -0.0005659900000000, -0.0001661100000000 ] - [ -0.0010641600000000, 0.0000238100000000, -0.0005139600000000 ] - [ 0.0000082800000000, -0.0001963400000000, -0.0003314700000000 ] - [ -0.0001431500000000, 0.0006598900000000, -0.0002138100000000 ] - [ -0.0003543400000000, 0.0002121100000000, 0.0001144900000000 ] - [ 0.0000353600000000, 0.0000665300000000, 0.0002797800000000 ] - [ 0.0000350300000000, -0.0003287700000000, 0.0003182500000000 ] - [ -0.0000847500000000, 0.0002577500000000, 0.0001039700000000 ] - [ 0.0000381300000000, -0.0000083500000000, -0.0003340900000000 ] - [ -0.0000756000000000, -0.0002164400000000, 0.0001546200000000 ] - [ -0.0003816700000000, -0.0004739100000000, -0.0002373800000000 ] - [ -0.0008857900000000, 0.0011230300000000, -0.0000225300000000 ] - [ 0.0002159200000000, -0.0003390500000000, 0.0003307900000000 ] - [ 0.0011688800000000, 0.0009995300000000, 0.0002838600000000 ] - [ -0.0001497800000000, 0.0003003900000000, -0.0001260100000000 ] - [ -0.0002427700000000, -0.0005955500000000, -0.0000076700000000 ] - [ -0.0000842600000000, -0.0004614600000000, -0.0001800000000000 ] - [ 0.0016205100000000, -0.0015551600000000, -0.0000244300000000 ] - [ 0.0003319900000000, 0.0000223800000000, -0.0000405100000000 ] - [ 0.0037266200000000, 0.0020346900000000, 0.0038475400000000 ] - [ -0.0005593400000000, 0.0000383800000000, -0.0000235400000000 ] - [ -0.0002016300000000, 0.0007462000000000, -0.0001859700000000 ] - [ 0.0046201800000000, -0.0020549700000000, 0.0037986300000000 ] - [ 0.0001013200000000, 0.0003380500000000, -0.0001918700000000 ] - [ 0.0000068600000000, 0.0000364600000000, -0.0000164300000000 ] - [ -0.0001689200000000, 0.0000650400000000, 0.0002842400000000 ] - [ -0.0006796700000000, -0.0011853800000000, -0.0006282100000000 ] - [ 0.0000211000000000, 0.0010104900000000, -0.0000112800000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0012166900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0594803700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009178600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033558000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017137000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009796900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018098800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010357200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019288100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005835000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009570200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0037840900000000, 0.0000000000000000 ] - [ -0.0003511700000000, -0.0026968200000000, 0.0001070600000000 ] - [ -0.0002367400000000, 0.0012147100000000, 0.0000147500000000 ] - [ 0.0003511700000000, -0.0026968200000000, -0.0001070600000000 ] - [ -0.0070509400000000, -0.0039357300000000, -0.0014310000000000 ] - [ 0.0002367400000000, 0.0012147100000000, -0.0000147500000000 ] - [ 0.0011347500000000, -0.0001312400000000, 0.0002327100000000 ] - [ -0.0004634100000000, 0.0011038000000000, -0.0000893900000000 ] - [ 0.0000673200000000, 0.0012403600000000, -0.0003589700000000 ] - [ 0.0004634100000000, 0.0011038000000000, 0.0000893900000000 ] - [ 0.0070509400000000, -0.0039357300000000, 0.0014310000000000 ] - [ -0.0011347500000000, -0.0001312400000000, -0.0002327100000000 ] - [ -0.0000673200000000, 0.0012403600000000, 0.0003589700000000 ] - [ -0.0004417100000000, 0.0011928700000000, -0.0000677100000000 ] - [ -0.0014051600000000, -0.0002963500000000, 0.0000850600000000 ] - [ 0.0004417100000000, 0.0011928700000000, 0.0000677100000000 ] - [ 0.0000228500000000, 0.0011261800000000, -0.0000393400000000 ] - [ 0.0014051600000000, -0.0002963500000000, -0.0000850600000000 ] - [ -0.0000039300000000, 0.0016301100000000, 0.0002784600000000 ] - [ -0.0076548500000000, -0.0035828200000000, -0.0015960300000000 ] - [ 0.0003437500000000, 0.0007498700000000, -0.0005398000000000 ] - [ 0.0076548500000000, -0.0035828200000000, 0.0015960300000000 ] - [ -0.0000228500000000, 0.0011261800000000, 0.0000393400000000 ] - [ 0.0000039300000000, 0.0016301100000000, -0.0002784600000000 ] - [ -0.0003437500000000, 0.0007498700000000, 0.0005398000000000 ] - [ 0.0023244600000000, 0.0147820700000000, 0.0069139000000000 ] - [ 0.0009565900000000, -0.0012154600000000, 0.0007037000000000 ] - [ -0.0000532500000000, -0.0006185200000000, 0.0001369300000000 ] - [ 0.0014903500000000, -0.0000333900000000, -0.0000728700000000 ] - [ 0.0000031700000000, 0.0032585000000000, -0.0002616700000000 ] - [ 0.0004623800000000, 0.0016214000000000, 0.0017624200000000 ] - [ -0.0009565900000000, -0.0012154600000000, -0.0007037000000000 ] - [ -0.0000760900000000, -0.0010884700000000, 0.0002999500000000 ] - [ -0.0001066000000000, -0.0002026800000000, 0.0002833800000000 ] - [ -0.0002038500000000, -0.0008636500000000, 0.0001346000000000 ] - [ 0.0006063300000000, -0.0013603400000000, -0.0000397100000000 ] - [ -0.0006063300000000, -0.0013603400000000, 0.0000397100000000 ] - [ -0.0004623800000000, 0.0016214000000000, -0.0017624200000000 ] - [ 0.0002038500000000, -0.0008636500000000, -0.0001346000000000 ] - [ 0.0004322400000000, 0.0031450400000000, -0.0002990400000000 ] - [ -0.0004722000000000, -0.0007013900000000, 0.0000024400000000 ] - [ -0.0004322400000000, 0.0031450400000000, 0.0002990400000000 ] - [ 0.0001066000000000, -0.0002026800000000, -0.0002833800000000 ] - [ 0.0004722000000000, -0.0007013900000000, -0.0000024400000000 ] - [ -0.0023244600000000, 0.0147820700000000, -0.0069139000000000 ] - [ -0.0014903500000000, -0.0000333900000000, 0.0000728700000000 ] - [ -0.0000031700000000, 0.0032585000000000, 0.0002616700000000 ] - [ 0.0000760900000000, -0.0010884700000000, -0.0002999500000000 ] - [ 0.0000532500000000, -0.0006185200000000, -0.0001369300000000 ] - [ -0.0001782300000000, -0.0003837100000000, 0.0001868300000000 ] - [ 0.0004271400000000, -0.0008800200000000, 0.0001639400000000 ] - [ -0.0014903600000000, -0.0001688000000000, 0.0003271900000000 ] - [ 0.0002923900000000, -0.0007257700000000, -0.0000077000000000 ] - [ 0.0000767100000000, -0.0009405600000000, -0.0003171800000000 ] - [ 0.0000151900000000, -0.0013900200000000, 0.0001647000000000 ] - [ -0.0004271400000000, -0.0008800200000000, -0.0001639400000000 ] - [ 0.0004334200000000, 0.0019198300000000, 0.0022238900000000 ] - [ -0.0002331700000000, -0.0009434000000000, 0.0003427300000000 ] - [ 0.0002753400000000, -0.0010137600000000, 0.0004290100000000 ] - [ 0.0003184200000000, -0.0005055900000000, -0.0000880000000000 ] - [ -0.0003184200000000, -0.0005055900000000, 0.0000880000000000 ] - [ -0.0000151900000000, -0.0013900200000000, -0.0001647000000000 ] - [ -0.0002753400000000, -0.0010137600000000, -0.0004290100000000 ] - [ 0.0004686600000000, -0.0006685900000000, 0.0000027700000000 ] - [ 0.0026183400000000, 0.0156036800000000, 0.0079031800000000 ] - [ -0.0004686600000000, -0.0006685900000000, -0.0000027700000000 ] - [ 0.0002331700000000, -0.0009434000000000, -0.0003427300000000 ] - [ -0.0026183400000000, 0.0156036800000000, -0.0079031800000000 ] - [ 0.0001782300000000, -0.0003837100000000, -0.0001868300000000 ] - [ -0.0002923900000000, -0.0007257700000000, 0.0000077000000000 ] - [ -0.0000767100000000, -0.0009405600000000, 0.0003171800000000 ] - [ -0.0004334200000000, 0.0019198300000000, -0.0022238900000000 ] - [ 0.0014903600000000, -0.0001688000000000, -0.0003271900000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0004219500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0597643700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010152700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0041858600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0015975900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008592500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010130300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009441900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018213400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013858900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010829600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0036285800000000, 0.0000000000000000 ] - [ -0.0004674400000000, 0.0027681800000000, -0.0002152000000000 ] - [ 0.0002383300000000, -0.0012283000000000, -0.0000114600000000 ] - [ 0.0004674400000000, 0.0027681800000000, 0.0002152000000000 ] - [ 0.0070577200000000, 0.0039421100000000, 0.0014310200000000 ] - [ -0.0002383300000000, -0.0012283000000000, 0.0000114600000000 ] - [ -0.0011125400000000, 0.0006863800000000, 0.0008076800000000 ] - [ -0.0003801600000000, -0.0011802800000000, -0.0000313000000000 ] - [ -0.0000922200000000, -0.0018021200000000, -0.0006762900000000 ] - [ 0.0003801600000000, -0.0011802800000000, 0.0000313000000000 ] - [ -0.0070577200000000, 0.0039421100000000, -0.0014310200000000 ] - [ 0.0011125400000000, 0.0006863800000000, -0.0008076800000000 ] - [ 0.0000922200000000, -0.0018021200000000, 0.0006762900000000 ] - [ -0.0004004900000000, -0.0011218000000000, -0.0000535500000000 ] - [ 0.0014054000000000, 0.0002826300000000, -0.0000824600000000 ] - [ 0.0004004900000000, -0.0011218000000000, 0.0000535500000000 ] - [ -0.0000256300000000, -0.0011189600000000, 0.0000367600000000 ] - [ -0.0014054000000000, 0.0002826300000000, 0.0000824600000000 ] - [ 0.0000277100000000, -0.0010741700000000, 0.0007607400000000 ] - [ 0.0068004800000000, 0.0035094600000000, 0.0014702500000000 ] - [ -0.0003700700000000, -0.0013111400000000, -0.0004968800000000 ] - [ -0.0068004800000000, 0.0035094600000000, -0.0014702500000000 ] - [ 0.0000256300000000, -0.0011189600000000, -0.0000367600000000 ] - [ -0.0000277100000000, -0.0010741700000000, -0.0007607400000000 ] - [ 0.0003700700000000, -0.0013111400000000, 0.0004968800000000 ] - [ -0.0030178000000000, -0.0146818800000000, -0.0069873900000000 ] - [ -0.0005287600000000, 0.0008081000000000, -0.0001830100000000 ] - [ 0.0000488100000000, 0.0012924200000000, 0.0001904700000000 ] - [ -0.0015857000000000, 0.0003394200000000, 0.0001706900000000 ] - [ 0.0001801700000000, -0.0031969200000000, -0.0003564500000000 ] - [ -0.0004704800000000, -0.0023072300000000, -0.0014343000000000 ] - [ 0.0005287600000000, 0.0008081000000000, 0.0001830100000000 ] - [ -0.0001083200000000, 0.0010212100000000, 0.0003169700000000 ] - [ 0.0005351000000000, 0.0006114400000000, 0.0002311000000000 ] - [ -0.0002444200000000, 0.0002955500000000, 0.0001739800000000 ] - [ -0.0005092000000000, 0.0010454700000000, -0.0000655000000000 ] - [ 0.0005092000000000, 0.0010454700000000, 0.0000655000000000 ] - [ 0.0004704800000000, -0.0023072300000000, 0.0014343000000000 ] - [ 0.0002444200000000, 0.0002955500000000, -0.0001739800000000 ] - [ 0.0005683400000000, -0.0030769400000000, 0.0001784200000000 ] - [ -0.0004244900000000, 0.0006301300000000, 0.0000117000000000 ] - [ -0.0005683400000000, -0.0030769400000000, -0.0001784200000000 ] - [ -0.0005351000000000, 0.0006114400000000, -0.0002311000000000 ] - [ 0.0004244900000000, 0.0006301300000000, -0.0000117000000000 ] - [ 0.0030178000000000, -0.0146818800000000, 0.0069873900000000 ] - [ 0.0015857000000000, 0.0003394200000000, -0.0001706900000000 ] - [ -0.0001801700000000, -0.0031969200000000, 0.0003564500000000 ] - [ 0.0001083200000000, 0.0010212100000000, -0.0003169700000000 ] - [ -0.0000488100000000, 0.0012924200000000, -0.0001904700000000 ] - [ -0.0002716900000000, 0.0009458900000000, 0.0001216900000000 ] - [ 0.0000000600000000, 0.0004681500000000, 0.0003519200000000 ] - [ 0.0014831400000000, 0.0008411900000000, 0.0000010400000000 ] - [ -0.0003887300000000, 0.0010333500000000, 0.0001119100000000 ] - [ 0.0001100000000000, 0.0009984000000000, -0.0003050600000000 ] - [ -0.0000223500000000, 0.0007122600000000, 0.0001650200000000 ] - [ -0.0000000600000000, 0.0004681500000000, -0.0003519200000000 ] - [ -0.0006176900000000, -0.0019851600000000, -0.0015975800000000 ] - [ 0.0006618700000000, 0.0013479700000000, 0.0001741000000000 ] - [ -0.0007205100000000, 0.0004424600000000, -0.0001234500000000 ] - [ -0.0002227300000000, 0.0001932800000000, -0.0000149300000000 ] - [ 0.0002227300000000, 0.0001932800000000, 0.0000149300000000 ] - [ 0.0000223500000000, 0.0007122600000000, -0.0001650200000000 ] - [ 0.0007205100000000, 0.0004424600000000, 0.0001234500000000 ] - [ 0.0004305700000000, 0.0007335400000000, -0.0000166200000000 ] - [ -0.0032543800000000, -0.0151872700000000, -0.0074786100000000 ] - [ -0.0004305700000000, 0.0007335400000000, 0.0000166200000000 ] - [ -0.0006618700000000, 0.0013479700000000, -0.0001741000000000 ] - [ 0.0032543800000000, -0.0151872700000000, 0.0074786100000000 ] - [ 0.0002716900000000, 0.0009458900000000, -0.0001216900000000 ] - [ 0.0003887300000000, 0.0010333500000000, -0.0001119100000000 ] - [ -0.0001100000000000, 0.0009984000000000, 0.0003050600000000 ] - [ 0.0006176900000000, -0.0019851600000000, 0.0015975800000000 ] - [ -0.0014831400000000, 0.0008411900000000, -0.0000010400000000 ]- atom: 2 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ 0.0000619400000000, 0.0004023500000000, 0.0004794800000000 ] - [ 0.0314667500000000, 0.0000639000000000, -0.0609615800000000 ] - [ 0.0000345800000000, -0.0000463100000000, 0.0000645800000000 ] - [ -0.0013240400000000, -0.0004010800000000, -0.0020886700000000 ] - [ 0.0000242100000000, -0.0000954800000000, 0.0069764100000000 ] - [ 0.0000055700000000, 0.0000664600000000, -0.0001140000000000 ] - [ -0.0000973600000000, 0.0004035300000000, 0.0003500500000000 ] - [ 0.0000177500000000, 0.0000459900000000, -0.0000253300000000 ] - [ -0.0000052200000000, -0.0000185900000000, 0.0069069300000000 ] - [ 0.0000385000000000, -0.0004030200000000, -0.0001492300000000 ] - [ 0.0000548900000000, -0.0000678800000000, 0.0000816200000000 ] - [ -0.0013618900000000, 0.0000641900000000, -0.0021844000000000 ] - [ -0.0064350500000000, 0.0003872500000000, -0.0045993100000000 ] - [ 0.0001937100000000, -0.0001333900000000, -0.0001810800000000 ] - [ -0.0055583600000000, -0.0003099900000000, -0.0044759900000000 ] - [ 0.0027265900000000, 0.0015093900000000, 0.0021608800000000 ] - [ 0.0001901500000000, 0.0001192000000000, -0.0001841100000000 ] - [ 0.0001789900000000, -0.0003256700000000, -0.0004271500000000 ] - [ -0.0004295000000000, -0.0000184400000000, 0.0000318700000000 ] - [ -0.0000835200000000, -0.0003444600000000, 0.0000598500000000 ] - [ 0.0004158300000000, -0.0000586100000000, 0.0001577000000000 ] - [ 0.0027471500000000, -0.0015023700000000, 0.0021599600000000 ] - [ 0.0001572800000000, 0.0008823700000000, -0.0014643000000000 ] - [ -0.0000601700000000, -0.0002158600000000, 0.0010941600000000 ] - [ -0.0003426600000000, 0.0000382900000000, -0.0001230300000000 ] - [ 0.0001214000000000, 0.0004422900000000, -0.0007914200000000 ] - [ 0.0005026500000000, 0.0000375300000000, 0.0000006700000000 ] - [ 0.0000077800000000, 0.0000021900000000, 0.0000909500000000 ] - [ 0.0001179600000000, -0.0004548300000000, -0.0007936700000000 ] - [ 0.0001481000000000, 0.0004294700000000, 0.0002910600000000 ] - [ 0.0024538000000000, 0.0013490100000000, 0.0021186300000000 ] - [ 0.0000803300000000, 0.0001037600000000, -0.0000440900000000 ] - [ 0.0032832300000000, -0.0014188900000000, 0.0022458900000000 ] - [ 0.0000109400000000, 0.0000120400000000, 0.0000924200000000 ] - [ 0.0001271100000000, 0.0001298900000000, -0.0007462300000000 ] - [ 0.0001045400000000, -0.0006637200000000, 0.0009932400000000 ] - [ 0.0010242100000000, 0.0064378300000000, 0.0039149700000000 ] - [ 0.0004691000000000, -0.0005681300000000, 0.0002108900000000 ] - [ -0.0000126800000000, 0.0004582600000000, 0.0001484800000000 ] - [ -0.0009600700000000, 0.0007259600000000, 0.0001933000000000 ] - [ -0.0003260900000000, 0.0000716300000000, 0.0007906000000000 ] - [ 0.0012374400000000, -0.0018755000000000, -0.0002529600000000 ] - [ 0.0000600600000000, 0.0001665100000000, -0.0003105100000000 ] - [ -0.0001474200000000, 0.0000703200000000, 0.0003073700000000 ] - [ 0.0002021600000000, 0.0003850300000000, 0.0002041200000000 ] - [ -0.0002642600000000, -0.0002253600000000, 0.0001612700000000 ] - [ -0.0001568100000000, 0.0003005900000000, -0.0000664500000000 ] - [ -0.0002444000000000, -0.0005986400000000, 0.0000468100000000 ] - [ 0.0012296600000000, 0.0011970800000000, -0.0005990400000000 ] - [ 0.0001854100000000, -0.0003248100000000, -0.0001476000000000 ] - [ -0.0174638500000000, -0.0003081500000000, 0.0187245300000000 ] - [ -0.0004609000000000, -0.0000114300000000, -0.0000064800000000 ] - [ -0.0174437300000000, 0.0003621200000000, 0.0180580400000000 ] - [ -0.0002096000000000, 0.0000177900000000, -0.0003129300000000 ] - [ 0.0004288400000000, -0.0000495500000000, -0.0000179600000000 ] - [ 0.0015358400000000, -0.0059709800000000, 0.0036119700000000 ] - [ -0.0008741000000000, -0.0004291700000000, 0.0000803900000000 ] - [ -0.0005396000000000, -0.0000111800000000, 0.0014096800000000 ] - [ 0.0000668700000000, -0.0001305300000000, -0.0003078300000000 ] - [ -0.0000240500000000, 0.0002243300000000, -0.0001893700000000 ] - [ -0.0002536600000000, 0.0002946900000000, 0.0001434100000000 ] - [ 0.0001290300000000, -0.0001136200000000, 0.0002650800000000 ] - [ -0.0010202000000000, -0.0003203600000000, 0.0003275200000000 ] - [ -0.0000325500000000, 0.0001094300000000, 0.0000826900000000 ] - [ 0.0000977500000000, 0.0000416600000000, -0.0003118700000000 ] - [ -0.0000309400000000, -0.0002506400000000, 0.0001721700000000 ] - [ -0.0002813500000000, -0.0002899300000000, -0.0002520600000000 ] - [ 0.0010944500000000, -0.0015240100000000, -0.0002554000000000 ] - [ 0.0000730900000000, -0.0001718300000000, 0.0003409700000000 ] - [ -0.0000298900000000, -0.0007546500000000, 0.0003541200000000 ] - [ 0.0000384100000000, -0.0003811100000000, -0.0001061400000000 ] - [ -0.0000491300000000, 0.0000833500000000, 0.0000085200000000 ] - [ -0.0000431700000000, -0.0004340500000000, -0.0001658800000000 ] - [ 0.0004203500000000, 0.0002012600000000, 0.0000484600000000 ] - [ 0.0004205700000000, 0.0000264400000000, -0.0000046600000000 ] - [ 0.0010815200000000, 0.0066526700000000, 0.0038240300000000 ] - [ -0.0004760400000000, 0.0000345800000000, 0.0000073500000000 ] - [ -0.0003390100000000, 0.0005752000000000, -0.0001759300000000 ] - [ 0.0019077400000000, -0.0066246100000000, 0.0038096700000000 ] - [ 0.0001970500000000, 0.0002537800000000, -0.0001671500000000 ] - [ 0.0000551500000000, 0.0001869400000000, -0.0000316400000000 ] - [ -0.0001158000000000, 0.0000210600000000, 0.0002982400000000 ] - [ 0.0013039000000000, 0.0014577500000000, -0.0008581300000000 ] - [ -0.0010332300000000, 0.0010014300000000, -0.0000074000000000 ]- atom: 5 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ 0.0019079300000000, 0.0003978600000000, 0.0006715500000000 ] - [ -0.0077117200000000, 0.0000562400000000, -0.0025717100000000 ] - [ 0.0004509300000000, -0.0000497000000000, 0.0001584100000000 ] - [ -0.0075481300000000, -0.0004020900000000, -0.0035098300000000 ] - [ -0.0481722900000000, -0.0000762800000000, 0.0130823600000000 ] - [ 0.0010190400000000, 0.0000595500000000, 0.0005701500000000 ] - [ -0.0004743700000000, 0.0003971300000000, -0.0003528700000000 ] - [ 0.0002610700000000, 0.0000495600000000, 0.0001472100000000 ] - [ -0.0033100300000000, -0.0000495600000000, -0.0025596700000000 ] - [ 0.0002904100000000, -0.0003978000000000, 0.0001734100000000 ] - [ 0.0002108400000000, -0.0000587400000000, 0.0000956600000000 ] - [ -0.0009951900000000, 0.0000593100000000, -0.0004310300000000 ] - [ 0.0027261600000000, -0.0015832700000000, 0.0008929600000000 ] - [ 0.0007944700000000, -0.0008870600000000, 0.0004893500000000 ] - [ 0.0035289000000000, 0.0016841800000000, 0.0010177500000000 ] - [ 0.0062569900000000, 0.0004559200000000, 0.0017981700000000 ] - [ 0.0007706700000000, 0.0008707700000000, 0.0004835800000000 ] - [ 0.0033382900000000, 0.0011625100000000, 0.0016793800000000 ] - [ 0.0002323600000000, -0.0006136100000000, -0.0001647300000000 ] - [ 0.0021261800000000, 0.0029451800000000, -0.0019125700000000 ] - [ 0.0010500800000000, 0.0005406400000000, -0.0000557200000000 ] - [ 0.0062367000000000, -0.0004375800000000, 0.0018394400000000 ] - [ 0.0033117000000000, -0.0006209600000000, 0.0006568400000000 ] - [ 0.0021519600000000, -0.0035028300000000, -0.0008656000000000 ] - [ -0.0001627400000000, -0.0001975400000000, -0.0000000500000000 ] - [ -0.0000860400000000, -0.0007071400000000, 0.0000736400000000 ] - [ 0.0006520800000000, 0.0002706900000000, 0.0001131400000000 ] - [ 0.0001693200000000, 0.0001474900000000, -0.0000277800000000 ] - [ -0.0001059200000000, 0.0006915300000000, 0.0000673200000000 ] - [ 0.0000802200000000, 0.0003012700000000, 0.0005042600000000 ] - [ -0.0005022900000000, -0.0013279200000000, -0.0000473500000000 ] - [ -0.0001321200000000, 0.0000210500000000, -0.0004949400000000 ] - [ 0.0003186500000000, 0.0012546600000000, 0.0000681700000000 ] - [ 0.0001886600000000, -0.0001341700000000, -0.0000212500000000 ] - [ 0.0000576200000000, 0.0002590500000000, -0.0005311800000000 ] - [ -0.0001099700000000, -0.0005812900000000, 0.0005402900000000 ] - [ 0.0156545100000000, 0.0006015100000000, -0.0108623100000000 ] - [ 0.0010488700000000, -0.0005415200000000, 0.0030344500000000 ] - [ -0.0005573300000000, -0.0010803800000000, 0.0000893000000000 ] - [ -0.0018448300000000, 0.0012302000000000, -0.0007679700000000 ] - [ -0.0006374600000000, -0.0011341300000000, -0.0006519400000000 ] - [ -0.0008576900000000, -0.0005540700000000, -0.0005536800000000 ] - [ 0.0005989200000000, 0.0000720000000000, 0.0024810700000000 ] - [ -0.0002932800000000, 0.0003737200000000, 0.0002191200000000 ] - [ -0.0012434500000000, -0.0005512600000000, 0.0002441000000000 ] - [ -0.0008232400000000, -0.0000322800000000, -0.0000484600000000 ] - [ -0.0004160000000000, 0.0008624900000000, 0.0000448200000000 ] - [ -0.0005041800000000, -0.0011548400000000, 0.0001478700000000 ] - [ -0.0008553100000000, -0.0001320900000000, -0.0008830600000000 ] - [ -0.0003695200000000, -0.0005182700000000, -0.0003558200000000 ] - [ 0.0047712500000000, -0.0032492500000000, 0.0046479000000000 ] - [ -0.0007755600000000, -0.0002192300000000, -0.0000781800000000 ] - [ 0.0038849100000000, 0.0033607300000000, 0.0047075600000000 ] - [ -0.0016621700000000, 0.0009636200000000, -0.0002771400000000 ] - [ 0.0000939100000000, 0.0001595600000000, -0.0001028300000000 ] - [ 0.0166739700000000, -0.0000580500000000, -0.0117358600000000 ] - [ -0.0017572600000000, -0.0009324100000000, -0.0008747700000000 ] - [ -0.0008361500000000, 0.0011958700000000, -0.0000455200000000 ] - [ -0.0000972700000000, -0.0004313000000000, -0.0004060000000000 ] - [ -0.0005505400000000, 0.0017578300000000, -0.0002487900000000 ] - [ -0.0003675200000000, 0.0002845400000000, 0.0001172300000000 ] - [ 0.0001344400000000, -0.0000770000000000, 0.0002636300000000 ] - [ 0.0002136700000000, -0.0000351700000000, 0.0002025000000000 ] - [ -0.0000301400000000, 0.0001073300000000, 0.0000726800000000 ] - [ -0.0000668000000000, -0.0002928100000000, -0.0003389600000000 ] - [ -0.0000761200000000, -0.0004269600000000, 0.0001507400000000 ] - [ -0.0002921800000000, -0.0003312200000000, -0.0002569800000000 ] - [ -0.0001364200000000, 0.0006623900000000, 0.0004879800000000 ] - [ 0.0003029200000000, 0.0001015800000000, 0.0002719200000000 ] - [ 0.0002663400000000, 0.0004110600000000, 0.0002938700000000 ] - [ -0.0000807400000000, 0.0001326200000000, -0.0000806700000000 ] - [ -0.0001702400000000, -0.0004286100000000, 0.0000228700000000 ] - [ -0.0000764500000000, -0.0002615600000000, -0.0001824100000000 ] - [ 0.0007159500000000, -0.0009602100000000, -0.0000159100000000 ] - [ 0.0002555900000000, 0.0000926100000000, -0.0000698100000000 ] - [ 0.0008160000000000, -0.0013114400000000, 0.0001394900000000 ] - [ -0.0006288200000000, -0.0000308800000000, -0.0000498700000000 ] - [ -0.0001203100000000, 0.0003147100000000, -0.0002426800000000 ] - [ 0.0017009500000000, 0.0012471100000000, 0.0001206900000000 ] - [ 0.0000879700000000, 0.0002659500000000, -0.0001897500000000 ] - [ 0.0000641100000000, 0.0001939300000000, -0.0000251900000000 ] - [ -0.0002556300000000, 0.0003621300000000, 0.0002698200000000 ] - [ 0.0000658900000000, -0.0007237000000000, -0.0001295800000000 ] - [ 0.0002120500000000, 0.0007180800000000, -0.0001322400000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0002069300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016054400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008748000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021028600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0511776500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009110500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017783800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010776900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0036755600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0007470200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0010232900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014568100000000, 0.0000000000000000 ] - [ -0.0078398400000000, -0.0026411800000000, -0.0015504300000000 ] - [ -0.0003047700000000, 0.0013420600000000, -0.0003629400000000 ] - [ 0.0078398400000000, -0.0026411800000000, 0.0015504300000000 ] - [ -0.0000081600000000, -0.0026722200000000, -0.0002665400000000 ] - [ 0.0003047700000000, 0.0013420600000000, 0.0003629400000000 ] - [ 0.0060543500000000, -0.0042142300000000, 0.0019143900000000 ] - [ -0.0007239200000000, 0.0012447100000000, -0.0000170600000000 ] - [ 0.0018084200000000, 0.0031421200000000, -0.0018472000000000 ] - [ 0.0007239200000000, 0.0012447100000000, 0.0000170600000000 ] - [ 0.0000081600000000, -0.0026722200000000, 0.0002665400000000 ] - [ -0.0060543500000000, -0.0042142300000000, -0.0019143900000000 ] - [ -0.0018084200000000, 0.0031421200000000, 0.0018472000000000 ] - [ -0.0004897200000000, 0.0012194600000000, -0.0001226200000000 ] - [ -0.0004581900000000, 0.0010166500000000, -0.0001117300000000 ] - [ 0.0004897200000000, 0.0012194600000000, 0.0001226200000000 ] - [ 0.0001254300000000, 0.0011821300000000, -0.0000175200000000 ] - [ 0.0004581900000000, 0.0010166500000000, 0.0001117300000000 ] - [ -0.0002299600000000, 0.0015695700000000, 0.0003254700000000 ] - [ -0.0019001600000000, -0.0000461300000000, 0.0000506700000000 ] - [ -0.0000836800000000, 0.0008286800000000, -0.0007346500000000 ] - [ 0.0019001600000000, -0.0000461300000000, -0.0000506700000000 ] - [ -0.0001254300000000, 0.0011821300000000, 0.0000175200000000 ] - [ 0.0002299600000000, 0.0015695700000000, -0.0003254700000000 ] - [ 0.0000836800000000, 0.0008286800000000, 0.0007346500000000 ] - [ -0.0004820500000000, 0.0035043300000000, -0.0004774600000000 ] - [ 0.0009879700000000, 0.0067843100000000, -0.0036820900000000 ] - [ -0.0003456300000000, -0.0010552800000000, 0.0001745800000000 ] - [ -0.0000145300000000, 0.0020161000000000, 0.0012898100000000 ] - [ -0.0005457100000000, 0.0017074000000000, -0.0022830100000000 ] - [ -0.0002321100000000, 0.0027717600000000, 0.0001524200000000 ] - [ -0.0009879700000000, 0.0067843100000000, 0.0036820900000000 ] - [ -0.0000506500000000, -0.0009987500000000, 0.0003316900000000 ] - [ -0.0020035500000000, 0.0000581400000000, 0.0002792600000000 ] - [ -0.0001947700000000, -0.0006607600000000, 0.0001503400000000 ] - [ 0.0006074800000000, -0.0009850200000000, 0.0000631300000000 ] - [ -0.0006074800000000, -0.0009850200000000, -0.0000631300000000 ] - [ 0.0002321100000000, 0.0027717600000000, -0.0001524200000000 ] - [ 0.0001947700000000, -0.0006607600000000, -0.0001503400000000 ] - [ -0.0036075900000000, 0.0174271900000000, -0.0098205600000000 ] - [ -0.0005224100000000, -0.0006704600000000, 0.0000025300000000 ] - [ 0.0036075900000000, 0.0174271900000000, 0.0098205600000000 ] - [ 0.0020035500000000, 0.0000581400000000, -0.0002792600000000 ] - [ 0.0005224100000000, -0.0006704600000000, -0.0000025300000000 ] - [ 0.0004820500000000, 0.0035043300000000, 0.0004774600000000 ] - [ 0.0000145300000000, 0.0020161000000000, -0.0012898100000000 ] - [ 0.0005457100000000, 0.0017074000000000, 0.0022830100000000 ] - [ 0.0000506500000000, -0.0009987500000000, -0.0003316900000000 ] - [ 0.0003456300000000, -0.0010552800000000, -0.0001745800000000 ] - [ -0.0001450000000000, -0.0004584100000000, 0.0001947800000000 ] - [ 0.0003254200000000, -0.0009875600000000, 0.0001393300000000 ] - [ -0.0002603800000000, -0.0002656700000000, 0.0001534600000000 ] - [ 0.0002652400000000, -0.0007627200000000, -0.0000163300000000 ] - [ 0.0000127900000000, -0.0010546400000000, -0.0003175100000000 ] - [ -0.0000388400000000, -0.0013430200000000, 0.0001594500000000 ] - [ -0.0003254200000000, -0.0009875600000000, -0.0001393300000000 ] - [ 0.0014553200000000, -0.0007050200000000, 0.0002023800000000 ] - [ 0.0000264700000000, -0.0007312700000000, 0.0003704400000000 ] - [ -0.0001928700000000, -0.0013938800000000, 0.0001486100000000 ] - [ 0.0003433100000000, -0.0008456500000000, -0.0001300300000000 ] - [ -0.0003433100000000, -0.0008456500000000, 0.0001300300000000 ] - [ 0.0000388400000000, -0.0013430200000000, -0.0001594500000000 ] - [ 0.0001928700000000, -0.0013938800000000, -0.0001486100000000 ] - [ 0.0004828000000000, -0.0006757200000000, 0.0000123600000000 ] - [ -0.0010212500000000, -0.0008729000000000, -0.0002727500000000 ] - [ -0.0004828000000000, -0.0006757200000000, -0.0000123600000000 ] - [ -0.0000264700000000, -0.0007312700000000, -0.0003704400000000 ] - [ 0.0010212500000000, -0.0008729000000000, 0.0002727500000000 ] - [ 0.0001450000000000, -0.0004584100000000, -0.0001947800000000 ] - [ -0.0002652400000000, -0.0007627200000000, 0.0000163300000000 ] - [ -0.0000127900000000, -0.0010546400000000, 0.0003175100000000 ] - [ -0.0014553200000000, -0.0007050200000000, -0.0002023800000000 ] - [ 0.0002603800000000, -0.0002656700000000, -0.0001534600000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0010053300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017065600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009794000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013259500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0502378400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008144300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009814300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009624400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0037521300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015387600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011168400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013567600000000, 0.0000000000000000 ] - [ 0.0070038900000000, 0.0027380700000000, 0.0014241600000000 ] - [ 0.0003130800000000, -0.0013607600000000, 0.0003632800000000 ] - [ -0.0070038900000000, 0.0027380700000000, -0.0014241600000000 ] - [ -0.0000245400000000, 0.0026910400000000, 0.0002464900000000 ] - [ -0.0003130800000000, -0.0013607600000000, -0.0003632800000000 ] - [ -0.0060571600000000, 0.0047888300000000, -0.0008853700000000 ] - [ -0.0001125000000000, -0.0013187900000000, -0.0001050100000000 ] - [ -0.0018231600000000, -0.0037159800000000, 0.0007958500000000 ] - [ 0.0001125000000000, -0.0013187900000000, 0.0001050100000000 ] - [ 0.0000245400000000, 0.0026910400000000, -0.0002464900000000 ] - [ 0.0060571600000000, 0.0047888300000000, 0.0008853700000000 ] - [ 0.0018231600000000, -0.0037159800000000, -0.0007958500000000 ] - [ -0.0003437200000000, -0.0011377400000000, -0.0000017500000000 ] - [ 0.0004651800000000, -0.0010336000000000, 0.0001152600000000 ] - [ 0.0003437200000000, -0.0011377400000000, 0.0000017500000000 ] - [ -0.0001344500000000, -0.0011593400000000, 0.0000137900000000 ] - [ -0.0004651800000000, -0.0010336000000000, -0.0001152600000000 ] - [ 0.0002451100000000, -0.0010007800000000, 0.0007083400000000 ] - [ 0.0010658700000000, -0.0000289700000000, -0.0001744700000000 ] - [ 0.0000699100000000, -0.0013918800000000, -0.0002986400000000 ] - [ -0.0010658700000000, -0.0000289700000000, 0.0001744700000000 ] - [ 0.0001344500000000, -0.0011593400000000, -0.0000137900000000 ] - [ -0.0002451100000000, -0.0010007800000000, -0.0007083400000000 ] - [ -0.0000699100000000, -0.0013918800000000, 0.0002986400000000 ] - [ 0.0001169600000000, -0.0029457800000000, 0.0006883900000000 ] - [ -0.0004025600000000, -0.0074553100000000, 0.0044076700000000 ] - [ 0.0003433400000000, 0.0017480300000000, 0.0001550300000000 ] - [ -0.0000745400000000, -0.0017206900000000, -0.0011833800000000 ] - [ 0.0007457400000000, -0.0016465400000000, 0.0016664200000000 ] - [ 0.0002300400000000, -0.0034625800000000, 0.0001813400000000 ] - [ 0.0004025600000000, -0.0074553100000000, -0.0044076700000000 ] - [ -0.0001487800000000, 0.0009501500000000, 0.0002824500000000 ] - [ 0.0024263500000000, 0.0003587200000000, 0.0002407500000000 ] - [ -0.0002631000000000, 0.0001199800000000, 0.0001553800000000 ] - [ -0.0005167400000000, 0.0006952300000000, -0.0001737600000000 ] - [ 0.0005167400000000, 0.0006952300000000, 0.0001737600000000 ] - [ -0.0002300400000000, -0.0034625800000000, -0.0001813400000000 ] - [ 0.0002631000000000, 0.0001199800000000, -0.0001553800000000 ] - [ 0.0042045300000000, -0.0168553500000000, 0.0093468800000000 ] - [ -0.0003725500000000, 0.0006165200000000, 0.0000105900000000 ] - [ -0.0042045300000000, -0.0168553500000000, -0.0093468800000000 ] - [ -0.0024263500000000, 0.0003587200000000, -0.0002407500000000 ] - [ 0.0003725500000000, 0.0006165200000000, -0.0000105900000000 ] - [ -0.0001169600000000, -0.0029457800000000, -0.0006883900000000 ] - [ 0.0000745400000000, -0.0017206900000000, 0.0011833800000000 ] - [ -0.0007457400000000, -0.0016465400000000, -0.0016664200000000 ] - [ 0.0001487800000000, 0.0009501500000000, -0.0002824500000000 ] - [ -0.0003433400000000, 0.0017480300000000, -0.0001550300000000 ] - [ -0.0003104300000000, 0.0010072500000000, 0.0001117500000000 ] - [ 0.0000972100000000, 0.0005800700000000, 0.0003783400000000 ] - [ 0.0002583500000000, 0.0009641800000000, 0.0001758600000000 ] - [ -0.0003569400000000, 0.0010616300000000, 0.0001278900000000 ] - [ 0.0001857900000000, 0.0011137700000000, -0.0002942700000000 ] - [ 0.0000387900000000, 0.0006530400000000, 0.0001696100000000 ] - [ -0.0000972100000000, 0.0005800700000000, -0.0003783400000000 ] - [ -0.0016570800000000, 0.0006562000000000, 0.0004139600000000 ] - [ 0.0003976800000000, 0.0011436700000000, 0.0001488100000000 ] - [ -0.0002634700000000, 0.0008538600000000, 0.0001573800000000 ] - [ -0.0002501300000000, 0.0005530700000000, 0.0000204400000000 ] - [ 0.0002501300000000, 0.0005530700000000, -0.0000204400000000 ] - [ -0.0000387900000000, 0.0006530400000000, -0.0001696100000000 ] - [ 0.0002634700000000, 0.0008538600000000, -0.0001573800000000 ] - [ 0.0004165500000000, 0.0007378900000000, -0.0000233900000000 ] - [ 0.0001201600000000, 0.0008161400000000, 0.0002879400000000 ] - [ -0.0004165500000000, 0.0007378900000000, 0.0000233900000000 ] - [ -0.0003976800000000, 0.0011436700000000, -0.0001488100000000 ] - [ -0.0001201600000000, 0.0008161400000000, -0.0002879400000000 ] - [ 0.0003104300000000, 0.0010072500000000, -0.0001117500000000 ] - [ 0.0003569400000000, 0.0010616300000000, -0.0001278900000000 ] - [ -0.0001857900000000, 0.0011137700000000, 0.0002942700000000 ] - [ 0.0016570800000000, 0.0006562000000000, -0.0004139600000000 ] - [ -0.0002583500000000, 0.0009641800000000, -0.0001758600000000 ]- atom: 5 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ 0.0003427200000000, 0.0003947700000000, -0.0012506100000000 ] - [ -0.0000092300000000, 0.0000787000000000, 0.0069658200000000 ] - [ 0.0000516000000000, -0.0000499200000000, -0.0000996100000000 ] - [ 0.0002874200000000, -0.0004218400000000, 0.0068757500000000 ] - [ 0.0279202000000000, -0.0001141800000000, -0.0578771300000000 ] - [ 0.0002125500000000, 0.0000550900000000, 0.0005244700000000 ] - [ -0.0001559100000000, 0.0003946400000000, -0.0002522600000000 ] - [ 0.0000559700000000, 0.0000511500000000, 0.0000827500000000 ] - [ -0.0013587300000000, -0.0000530100000000, -0.0021840200000000 ] - [ 0.0000521100000000, -0.0003943800000000, 0.0000996200000000 ] - [ 0.0000240800000000, -0.0000559500000000, -0.0000254300000000 ] - [ -0.0000898000000000, 0.0000562300000000, 0.0003969900000000 ] - [ 0.0026181100000000, 0.0012535000000000, 0.0021895500000000 ] - [ -0.0000753100000000, 0.0000229100000000, 0.0006217700000000 ] - [ 0.0034244800000000, -0.0011693100000000, 0.0023105500000000 ] - [ -0.0059447000000000, -0.0007542600000000, -0.0045484700000000 ] - [ -0.0000861000000000, -0.0000394600000000, 0.0006182600000000 ] - [ 0.0018449700000000, -0.0010155700000000, 0.0026449300000000 ] - [ -0.0001193400000000, -0.0002818600000000, -0.0003006000000000 ] - [ 0.0008578500000000, 0.0014078600000000, -0.0031866900000000 ] - [ 0.0007065800000000, 0.0002063600000000, -0.0001855600000000 ] - [ -0.0059669300000000, 0.0007750100000000, -0.0045390900000000 ] - [ 0.0018034300000000, 0.0015688300000000, 0.0016110600000000 ] - [ 0.0008765400000000, -0.0019668100000000, -0.0021463400000000 ] - [ -0.0004190200000000, 0.0000337600000000, 0.0000611400000000 ] - [ 0.0000441800000000, -0.0004038400000000, 0.0003445900000000 ] - [ 0.0004091200000000, 0.0000437400000000, 0.0001794300000000 ] - [ 0.0000698500000000, 0.0000614300000000, -0.0000693000000000 ] - [ 0.0000325200000000, 0.0003877100000000, 0.0003374700000000 ] - [ 0.0000105800000000, 0.0002669500000000, 0.0006001500000000 ] - [ -0.0003138200000000, 0.0003872800000000, -0.0008678500000000 ] - [ 0.0000041100000000, -0.0003190100000000, -0.0006808000000000 ] - [ 0.0005132400000000, -0.0004617800000000, -0.0007510100000000 ] - [ 0.0000782000000000, -0.0000438100000000, -0.0000625300000000 ] - [ -0.0000135900000000, 0.0002919200000000, -0.0004338700000000 ] - [ 0.0000283800000000, -0.0002377800000000, 0.0003535600000000 ] - [ -0.0160477300000000, -0.0008856100000000, 0.0169608500000000 ] - [ 0.0003512700000000, -0.0031068400000000, 0.0047447000000000 ] - [ -0.0002351000000000, -0.0004997200000000, 0.0002414900000000 ] - [ 0.0014713700000000, -0.0011482300000000, -0.0002016900000000 ] - [ 0.0010843800000000, 0.0015034100000000, -0.0008961100000000 ] - [ -0.0004210000000000, -0.0001893500000000, 0.0011385400000000 ] - [ -0.0001328400000000, 0.0026463000000000, 0.0042178900000000 ] - [ -0.0001120700000000, -0.0001558100000000, 0.0002801500000000 ] - [ -0.0012539700000000, -0.0003489500000000, 0.0003961700000000 ] - [ -0.0004079600000000, -0.0004064500000000, 0.0000544000000000 ] - [ 0.0002706900000000, -0.0006084200000000, 0.0001162700000000 ] - [ 0.0001761700000000, 0.0003025400000000, 0.0002104000000000 ] - [ -0.0004124900000000, -0.0004935900000000, 0.0008157100000000 ] - [ 0.0000353800000000, -0.0001533100000000, -0.0002561900000000 ] - [ 0.0024157400000000, -0.0079461600000000, 0.0044796600000000 ] - [ -0.0005403000000000, -0.0001095700000000, 0.0000119200000000 ] - [ 0.0015938900000000, 0.0081154000000000, 0.0044926500000000 ] - [ -0.0016841400000000, 0.0007619700000000, -0.0001221800000000 ] - [ 0.0003626100000000, 0.0000462900000000, -0.0000026100000000 ] - [ -0.0147486700000000, 0.0014240800000000, 0.0160207500000000 ] - [ 0.0015735200000000, 0.0014640800000000, -0.0003045500000000 ] - [ 0.0009100000000000, -0.0014452700000000, -0.0002878700000000 ] - [ 0.0000642900000000, 0.0000928300000000, -0.0003363200000000 ] - [ -0.0002272300000000, 0.0011836300000000, -0.0000873400000000 ] - [ -0.0002528600000000, 0.0002831800000000, 0.0001554600000000 ] - [ 0.0002107700000000, -0.0002337300000000, 0.0002582700000000 ] - [ 0.0000436600000000, 0.0005176900000000, 0.0001864000000000 ] - [ -0.0000539200000000, 0.0001509000000000, 0.0000476800000000 ] - [ 0.0000279600000000, -0.0001414900000000, -0.0003131600000000 ] - [ -0.0000181200000000, -0.0003347200000000, 0.0001606700000000 ] - [ -0.0002204700000000, -0.0001780100000000, -0.0002586100000000 ] - [ -0.0011885300000000, 0.0007342600000000, 0.0005153100000000 ] - [ 0.0002426900000000, 0.0002470000000000, 0.0002493300000000 ] - [ -0.0001105100000000, 0.0001730600000000, 0.0001865800000000 ] - [ -0.0000024700000000, -0.0000222600000000, -0.0000357300000000 ] - [ -0.0000979300000000, -0.0002874100000000, 0.0000580400000000 ] - [ -0.0000075400000000, -0.0003453400000000, -0.0001722700000000 ] - [ 0.0003318000000000, -0.0007317400000000, -0.0001253100000000 ] - [ 0.0004179700000000, 0.0000264700000000, -0.0000283100000000 ] - [ -0.0002425900000000, 0.0004722200000000, 0.0002569200000000 ] - [ -0.0004773400000000, 0.0000391200000000, -0.0000095600000000 ] - [ -0.0001884700000000, 0.0001653800000000, -0.0002668600000000 ] - [ 0.0006584200000000, -0.0005405400000000, 0.0002373200000000 ] - [ 0.0001894900000000, 0.0002772600000000, -0.0001567500000000 ] - [ 0.0000424400000000, 0.0001594900000000, -0.0000448500000000 ] - [ -0.0001509200000000, 0.0002023900000000, 0.0003110000000000 ] - [ -0.0010078700000000, -0.0007965100000000, -0.0001084600000000 ] - [ 0.0000522500000000, 0.0001650400000000, -0.0001465100000000 ]- atom: 13 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ 0.0011876700000000, 0.0006926100000000, 0.0003000100000000 ] - [ 0.0064861200000000, 0.0001057800000000, -0.0041493600000000 ] - [ 0.0001831400000000, -0.0000024900000000, 0.0000570900000000 ] - [ -0.0001622500000000, -0.0018652500000000, 0.0000852300000000 ] - [ 0.0031398500000000, -0.0074849400000000, 0.0042555600000000 ] - [ 0.0006363700000000, 0.0003639800000000, 0.0005268800000000 ] - [ -0.0001054700000000, 0.0008702900000000, -0.0000140700000000 ] - [ 0.0001656400000000, 0.0000280800000000, 0.0001401600000000 ] - [ 0.0031663100000000, 0.0071947100000000, 0.0041067100000000 ] - [ 0.0007216300000000, -0.0008184800000000, 0.0006972000000000 ] - [ 0.0002418200000000, -0.0001308600000000, 0.0000786800000000 ] - [ -0.0000919000000000, 0.0015426200000000, 0.0000740600000000 ] - [ -0.1496937900000000, 0.0034503500000000, -0.0254627300000000 ] - [ 0.0003588500000000, -0.0002431600000000, 0.0001068200000000 ] - [ 0.0041737800000000, 0.0001011200000000, 0.0003881000000000 ] - [ 0.0018815200000000, -0.0000474300000000, 0.0012059800000000 ] - [ -0.0004840700000000, -0.0001078300000000, -0.0000690400000000 ] - [ -0.0066938300000000, 0.0049379000000000, 0.0033014900000000 ] - [ -0.0002165800000000, -0.0001576200000000, -0.0000557200000000 ] - [ -0.0018253300000000, -0.0007670700000000, -0.0006477500000000 ] - [ 0.0001252800000000, -0.0000573300000000, 0.0000111800000000 ] - [ -0.0043650200000000, -0.0007722800000000, -0.0106633900000000 ] - [ 0.0006866300000000, -0.0000574600000000, -0.0003552600000000 ] - [ 0.0004138300000000, -0.0009113000000000, 0.0004694200000000 ] - [ -0.0002695200000000, 0.0000195800000000, -0.0000413300000000 ] - [ -0.0066613400000000, -0.0040918700000000, 0.0023644900000000 ] - [ 0.0002961300000000, 0.0000053400000000, 0.0000423500000000 ] - [ -0.0003236200000000, -0.0000044700000000, -0.0000406700000000 ] - [ 0.0006893700000000, 0.0004440900000000, 0.0000433400000000 ] - [ 0.0002516200000000, 0.0005114000000000, 0.0005372800000000 ] - [ -0.0043969400000000, 0.0007416800000000, -0.0102127800000000 ] - [ 0.0000909200000000, 0.0002185400000000, -0.0003040200000000 ] - [ 0.0021686500000000, -0.0000230100000000, 0.0011490600000000 ] - [ 0.0001799600000000, 0.0000646100000000, 0.0000244700000000 ] - [ -0.0004238200000000, 0.0003404600000000, -0.0006184700000000 ] - [ -0.0009605800000000, -0.0013452100000000, -0.0006468600000000 ] - [ 0.0018434600000000, 0.0024725900000000, 0.0015836900000000 ] - [ -0.0004188400000000, 0.0005571600000000, 0.0001517600000000 ] - [ 0.0003629800000000, 0.0005345000000000, 0.0001363300000000 ] - [ -0.0011067600000000, 0.0011475000000000, -0.0001850400000000 ] - [ -0.0009710200000000, -0.0000306400000000, -0.0011518100000000 ] - [ -0.0006194000000000, 0.0000863500000000, -0.0001454100000000 ] - [ 0.0028329300000000, 0.0009378600000000, -0.0000632200000000 ] - [ -0.0001988700000000, 0.0000625600000000, 0.0002781300000000 ] - [ 0.0006729000000000, -0.0025051100000000, 0.0003778400000000 ] - [ -0.0005291800000000, -0.0002297400000000, 0.0000770700000000 ] - [ -0.0001687000000000, 0.0002091800000000, -0.0000623800000000 ] - [ 0.0004441500000000, 0.0002865700000000, 0.0002812000000000 ] - [ 0.0291518000000000, 0.0230144800000000, -0.0088771700000000 ] - [ 0.0002257600000000, -0.0005368800000000, -0.0001553200000000 ] - [ 0.0893531300000000, -0.0033298800000000, 0.0359639800000000 ] - [ -0.0004533000000000, -0.0002663300000000, -0.0000071400000000 ] - [ -0.0035985300000000, -0.0000751500000000, -0.0015861800000000 ] - [ -0.0007820800000000, 0.0004984000000000, -0.0003274600000000 ] - [ 0.0003259900000000, 0.0000011300000000, -0.0000430200000000 ] - [ -0.0023527100000000, 0.0015217500000000, -0.0005199900000000 ] - [ 0.0005525900000000, -0.0005221400000000, 0.0008468800000000 ] - [ 0.0074264900000000, 0.0001986500000000, 0.0129469800000000 ] - [ 0.0001811800000000, 0.0000397800000000, -0.0002891800000000 ] - [ -0.0001387800000000, 0.0005837900000000, -0.0002070200000000 ] - [ -0.0003535300000000, 0.0002649200000000, 0.0001141700000000 ] - [ 0.0003463700000000, 0.0001272700000000, 0.0004010400000000 ] - [ -0.0005231400000000, -0.0004418500000000, 0.0001529100000000 ] - [ 0.0001706600000000, -0.0000399400000000, 0.0001236700000000 ] - [ 0.0001903700000000, 0.0000641200000000, -0.0003058800000000 ] - [ 0.0000879100000000, -0.0003369700000000, 0.0001840300000000 ] - [ -0.0005495800000000, -0.0003749000000000, -0.0002972700000000 ] - [ 0.0265800800000000, -0.0232272300000000, -0.0077282300000000 ] - [ 0.0000607300000000, -0.0001408900000000, 0.0002281200000000 ] - [ 0.0018496700000000, -0.0015347800000000, 0.0003848300000000 ] - [ -0.0005228300000000, 0.0027237100000000, -0.0001805600000000 ] - [ -0.0004247100000000, -0.0005511900000000, -0.0001085400000000 ] - [ -0.0000938800000000, -0.0004099400000000, -0.0001853900000000 ] - [ 0.0000001700000000, -0.0010098300000000, -0.0001494100000000 ] - [ 0.0003388800000000, 0.0000304900000000, -0.0000359500000000 ] - [ -0.0027725200000000, -0.0014063700000000, -0.0004512200000000 ] - [ -0.0004618800000000, 0.0000578300000000, -0.0000031700000000 ] - [ 0.0004594400000000, -0.0000408200000000, -0.0000266800000000 ] - [ 0.0024785800000000, -0.0025100300000000, 0.0015915000000000 ] - [ 0.0002383900000000, 0.0006120600000000, -0.0001518700000000 ] - [ -0.0000481000000000, 0.0000196600000000, -0.0000574500000000 ] - [ -0.0001724500000000, 0.0000540800000000, 0.0002885200000000 ] - [ -0.0006004400000000, -0.0004272000000000, -0.0006248500000000 ] - [ 0.0011155800000000, 0.0010963600000000, 0.0011300500000000 ]- atom: 13 displacement: [ -0.0099999882766160, 0.0000000000000000, -0.0000153123330198 ] forces: - [ -0.0011838200000000, 0.0001124700000000, -0.0002965000000000 ] - [ -0.0064296200000000, -0.0000062800000000, 0.0041536000000000 ] - [ -0.0001823700000000, -0.0000972200000000, -0.0000558400000000 ] - [ 0.0001683200000000, 0.0010558900000000, -0.0000828300000000 ] - [ -0.0030999700000000, 0.0073415000000000, -0.0042405500000000 ] - [ -0.0006351600000000, -0.0002445500000000, -0.0005247900000000 ] - [ 0.0001069200000000, -0.0000635900000000, 0.0000173800000000 ] - [ -0.0001630600000000, 0.0000719700000000, -0.0001411400000000 ] - [ -0.0031272200000000, -0.0072769200000000, -0.0040877300000000 ] - [ -0.0007186000000000, 0.0000156400000000, -0.0006950600000000 ] - [ -0.0002399600000000, 0.0000065200000000, -0.0000779800000000 ] - [ 0.0000976200000000, -0.0014130400000000, -0.0000691400000000 ] - [ 0.1454134600000000, -0.0030306600000000, 0.0225189600000000 ] - [ -0.0003430300000000, 0.0002196700000000, -0.0001072800000000 ] - [ -0.0033555100000000, -0.0000222900000000, -0.0002616300000000 ] - [ -0.0018869900000000, 0.0000653400000000, -0.0012104000000000 ] - [ 0.0004684800000000, 0.0000823600000000, 0.0000643500000000 ] - [ 0.0066963400000000, -0.0043418000000000, -0.0022783900000000 ] - [ -0.0005991400000000, 0.0000794300000000, -0.0000642700000000 ] - [ 0.0018030500000000, 0.0001919400000000, -0.0003942400000000 ] - [ 0.0006940800000000, -0.0000211500000000, 0.0001049900000000 ] - [ 0.0043271500000000, 0.0008189300000000, 0.0106583900000000 ] - [ -0.0006976800000000, 0.0006234800000000, -0.0006801200000000 ] - [ -0.0003971300000000, 0.0003400000000000, 0.0005703200000000 ] - [ -0.0005573900000000, 0.0000583100000000, -0.0000799500000000 ] - [ 0.0066573900000000, 0.0040511400000000, -0.0023890500000000 ] - [ 0.0005252100000000, 0.0000722000000000, 0.0000807100000000 ] - [ 0.0003093500000000, 0.0000293400000000, 0.0000414600000000 ] - [ -0.0007003800000000, -0.0004645900000000, -0.0000420900000000 ] - [ -0.0002351300000000, 0.0000596700000000, 0.0005069900000000 ] - [ 0.0035243300000000, -0.0008364700000000, 0.0100706100000000 ] - [ -0.0001020500000000, -0.0007903300000000, -0.0007370000000000 ] - [ -0.0013423800000000, -0.0000517400000000, -0.0010330000000000 ] - [ -0.0001642700000000, -0.0000381900000000, -0.0000199400000000 ] - [ 0.0004083200000000, 0.0002289700000000, -0.0004232300000000 ] - [ 0.0009693900000000, 0.0007702200000000, 0.0016884200000000 ] - [ -0.0022839600000000, -0.0019191700000000, -0.0012743000000000 ] - [ 0.0008490400000000, -0.0009723500000000, 0.0003656500000000 ] - [ -0.0003531400000000, 0.0001634600000000, 0.0002029600000000 ] - [ 0.0010111400000000, -0.0008502900000000, 0.0002834200000000 ] - [ 0.0011888300000000, 0.0000820500000000, 0.0005465300000000 ] - [ 0.0006292600000000, -0.0007807300000000, 0.0004859100000000 ] - [ -0.0032600800000000, -0.0013394800000000, -0.0004514700000000 ] - [ -0.0000083900000000, -0.0001192000000000, 0.0003295000000000 ] - [ -0.0002368300000000, 0.0029165300000000, 0.0001454000000000 ] - [ 0.0000863800000000, -0.0003098400000000, 0.0002369000000000 ] - [ 0.0002580900000000, -0.0005068000000000, -0.0000379500000000 ] - [ -0.0005304500000000, -0.0005826100000000, -0.0001780600000000 ] - [ -0.0294571600000000, -0.0244876700000000, 0.0088641700000000 ] - [ 0.0002200700000000, -0.0000029800000000, -0.0001572000000000 ] - [ -0.0847038800000000, 0.0031702000000000, -0.0340594800000000 ] - [ -0.0004518200000000, 0.0002108600000000, 0.0000201100000000 ] - [ 0.0026933200000000, 0.0001320500000000, 0.0015998700000000 ] - [ 0.0003474600000000, -0.0000803200000000, -0.0001915700000000 ] - [ 0.0005816100000000, -0.0000563200000000, 0.0000321400000000 ] - [ 0.0027907600000000, -0.0009831100000000, 0.0002052200000000 ] - [ -0.0004652100000000, 0.0008102800000000, -0.0009408400000000 ] - [ -0.0075156600000000, -0.0001456700000000, -0.0120601700000000 ] - [ 0.0000326400000000, -0.0000905000000000, -0.0003204000000000 ] - [ 0.0001336700000000, 0.0001154400000000, -0.0001310900000000 ] - [ -0.0000889700000000, 0.0002744700000000, 0.0001999600000000 ] - [ 0.0000876700000000, -0.0005429100000000, 0.0001180100000000 ] - [ 0.0005311400000000, 0.0011471600000000, 0.0001824700000000 ] - [ -0.0002579600000000, 0.0003353700000000, -0.0000222000000000 ] - [ 0.0000221800000000, -0.0000087200000000, -0.0002989200000000 ] - [ -0.0000779500000000, -0.0003637600000000, 0.0001555700000000 ] - [ 0.0001159200000000, -0.0000443300000000, -0.0002201900000000 ] - [ -0.0269609400000000, 0.0238163100000000, 0.0086082300000000 ] - [ 0.0003715600000000, 0.0005581000000000, 0.0002909600000000 ] - [ -0.0022926000000000, 0.0009801800000000, -0.0000674900000000 ] - [ 0.0006137900000000, -0.0030136100000000, 0.0000815400000000 ] - [ 0.0003325900000000, 0.0002485000000000, 0.0002083900000000 ] - [ 0.0000890400000000, -0.0002858400000000, -0.0001542700000000 ] - [ 0.0004444000000000, 0.0004679300000000, -0.0001638400000000 ] - [ 0.0005661100000000, 0.0000250900000000, 0.0000235600000000 ] - [ 0.0018481400000000, 0.0013516100000000, 0.0004582100000000 ] - [ -0.0004506500000000, -0.0000023200000000, 0.0000116000000000 ] - [ -0.0008885300000000, 0.0004569100000000, -0.0004912100000000 ] - [ -0.0015665400000000, 0.0024417300000000, -0.0016020500000000 ] - [ 0.0002047100000000, -0.0000725400000000, -0.0001616100000000 ] - [ 0.0001367600000000, 0.0002765700000000, -0.0000430700000000 ] - [ -0.0000374000000000, -0.0000012800000000, 0.0003238000000000 ] - [ 0.0008112300000000, 0.0003721000000000, 0.0000216200000000 ] - [ -0.0011179000000000, -0.0003867100000000, -0.0014583800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012387000000000, 0.0018200000000000, 0.0002826400000000 ] - [ -0.0002001900000000, -0.0026830100000000, 0.0003051500000000 ] - [ 0.0001368400000000, 0.0010934900000000, 0.0000247200000000 ] - [ -0.0012058400000000, -0.0001632100000000, -0.0000556100000000 ] - [ -0.0016291000000000, -0.0027476100000000, 0.0007299800000000 ] - [ 0.0005766500000000, 0.0013411800000000, 0.0004532700000000 ] - [ 0.0006063800000000, 0.0016271700000000, 0.0006263200000000 ] - [ -0.0000219900000000, 0.0012070100000000, -0.0000065600000000 ] - [ 0.0017132300000000, -0.0035976600000000, -0.0008767400000000 ] - [ -0.0007266900000000, 0.0010369600000000, -0.0006240600000000 ] - [ -0.0002335800000000, 0.0011186600000000, -0.0000850300000000 ] - [ 0.0012934500000000, 0.0000508200000000, -0.0000125000000000 ] - [ 0.0041998200000000, -0.0934759500000000, 0.0001133300000000 ] - [ 0.0003103400000000, 0.0009395100000000, 0.0001186300000000 ] - [ 0.0003500300000000, -0.0022537000000000, 0.0000991300000000 ] - [ 0.0002620800000000, -0.0019461500000000, 0.0006049900000000 ] - [ -0.0002408000000000, 0.0012762100000000, 0.0001268700000000 ] - [ -0.0024296300000000, 0.0107009600000000, 0.0027219500000000 ] - [ -0.0002915800000000, 0.0009600500000000, -0.0000699700000000 ] - [ -0.0006990400000000, 0.0014612300000000, -0.0011319000000000 ] - [ 0.0003921600000000, 0.0013178700000000, -0.0000208700000000 ] - [ 0.0004875900000000, -0.0045059500000000, -0.0094003700000000 ] - [ 0.0000175100000000, -0.0001233100000000, 0.0004976500000000 ] - [ 0.0004621600000000, 0.0002970500000000, 0.0004629800000000 ] - [ -0.0004308900000000, 0.0010944800000000, -0.0000615000000000 ] - [ 0.0030868000000000, 0.0097320000000000, -0.0015846200000000 ] - [ 0.0004433600000000, 0.0013126900000000, 0.0000894200000000 ] - [ 0.0002057100000000, 0.0012913400000000, 0.0000197400000000 ] - [ 0.0002767400000000, -0.0007309500000000, -0.0004177000000000 ] - [ -0.0003405300000000, 0.0013243600000000, 0.0003147500000000 ] - [ -0.0012127200000000, -0.0050263000000000, 0.0097344200000000 ] - [ 0.0000955600000000, 0.0001852500000000, -0.0006679600000000 ] - [ 0.0004265400000000, -0.0017657900000000, -0.0006580100000000 ] - [ -0.0001531200000000, 0.0010032900000000, -0.0000028300000000 ] - [ 0.0004764200000000, 0.0016830200000000, -0.0003169800000000 ] - [ 0.0010087100000000, 0.0022387000000000, 0.0016529700000000 ] - [ 0.0018522300000000, 0.0011705700000000, 0.0017315500000000 ] - [ 0.0002579700000000, -0.0001719900000000, 0.0001174200000000 ] - [ 0.0001080200000000, -0.0009221800000000, 0.0001371300000000 ] - [ -0.0016381100000000, 0.0007117700000000, -0.0004242500000000 ] - [ 0.0001275300000000, 0.0018457800000000, -0.0002421300000000 ] - [ 0.0001495400000000, 0.0008370500000000, 0.0000335100000000 ] - [ 0.0017382200000000, -0.0016709300000000, 0.0001755500000000 ] - [ -0.0001592300000000, -0.0009066000000000, 0.0002819900000000 ] - [ 0.0000469600000000, -0.0021393200000000, 0.0005891800000000 ] - [ -0.0005240800000000, -0.0009111100000000, 0.0000443400000000 ] - [ 0.0002329900000000, -0.0007584000000000, -0.0000889700000000 ] - [ -0.0001440100000000, -0.0009191400000000, 0.0003355600000000 ] - [ 0.0252965300000000, 0.0318838900000000, -0.0053616300000000 ] - [ 0.0001749700000000, -0.0012223800000000, -0.0001327600000000 ] - [ -0.0036604600000000, 0.0083797100000000, -0.0019308600000000 ] - [ -0.0004897000000000, -0.0010382900000000, -0.0000006000000000 ] - [ -0.0003671400000000, 0.0011580000000000, 0.0001213500000000 ] - [ -0.0005596900000000, 0.0000256800000000, -0.0003756100000000 ] - [ 0.0003553300000000, -0.0007124800000000, -0.0000386500000000 ] - [ -0.0003563900000000, 0.0014966800000000, 0.0000124700000000 ] - [ -0.0002024300000000, -0.0005060300000000, 0.0007622700000000 ] - [ -0.0000678700000000, 0.0132868300000000, 0.0006079800000000 ] - [ 0.0001277700000000, -0.0010820800000000, -0.0003083800000000 ] - [ -0.0001134700000000, -0.0003560200000000, -0.0002036400000000 ] - [ -0.0000697400000000, -0.0003853500000000, 0.0002224400000000 ] - [ 0.0003028300000000, -0.0013521000000000, 0.0000297600000000 ] - [ 0.0001618900000000, 0.0007544000000000, -0.0000018900000000 ] - [ 0.0001936500000000, -0.0007779200000000, -0.0000669800000000 ] - [ 0.0000513300000000, -0.0010831600000000, -0.0003165100000000 ] - [ -0.0000581100000000, -0.0014130100000000, 0.0001600400000000 ] - [ -0.0000991500000000, -0.0007387200000000, -0.0001400800000000 ] - [ -0.0253194900000000, 0.0374808500000000, 0.0062172800000000 ] - [ 0.0000132100000000, -0.0004337600000000, 0.0003721200000000 ] - [ -0.0030285500000000, -0.0016909200000000, -0.0005063500000000 ] - [ 0.0007895800000000, -0.0025982100000000, -0.0002043100000000 ] - [ 0.0001239300000000, -0.0000944400000000, 0.0002541900000000 ] - [ 0.0000618900000000, -0.0011964800000000, -0.0001492700000000 ] - [ -0.0003144300000000, 0.0000464900000000, -0.0003493900000000 ] - [ 0.0004625600000000, -0.0006907300000000, 0.0000045200000000 ] - [ 0.0000507700000000, 0.0014893400000000, -0.0001549700000000 ] - [ -0.0004622400000000, -0.0008402400000000, -0.0000025900000000 ] - [ -0.0005895200000000, -0.0007302000000000, -0.0005305400000000 ] - [ -0.0018200300000000, 0.0014246500000000, -0.0017406300000000 ] - [ 0.0001828600000000, -0.0007746300000000, -0.0001936900000000 ] - [ -0.0001746200000000, -0.0005364400000000, -0.0000038300000000 ] - [ -0.0000810300000000, -0.0008391700000000, 0.0003202000000000 ] - [ -0.0000535500000000, 0.0012559800000000, -0.0002497500000000 ] - [ -0.0007605700000000, -0.0008489400000000, -0.0017982800000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012410300000000, -0.0010122200000000, -0.0002832100000000 ] - [ 0.0001910200000000, 0.0027729100000000, -0.0002982700000000 ] - [ -0.0001385900000000, -0.0011855600000000, -0.0000246900000000 ] - [ 0.0012101400000000, -0.0006470300000000, 0.0000532900000000 ] - [ 0.0016377800000000, 0.0026210400000000, -0.0007229600000000 ] - [ -0.0005771000000000, -0.0012124800000000, -0.0004524700000000 ] - [ -0.0006051700000000, -0.0008139500000000, -0.0006210600000000 ] - [ 0.0000216900000000, -0.0011139000000000, 0.0000070900000000 ] - [ -0.0017022600000000, 0.0035019400000000, 0.0008893700000000 ] - [ 0.0007291200000000, -0.0018460800000000, 0.0006265700000000 ] - [ 0.0002345000000000, -0.0012455000000000, 0.0000839600000000 ] - [ -0.0012883500000000, 0.0000751000000000, 0.0000108300000000 ] - [ -0.0022815900000000, 0.0933052200000000, -0.0014156600000000 ] - [ -0.0002929000000000, -0.0009530000000000, -0.0001143900000000 ] - [ 0.0004722000000000, 0.0023280000000000, 0.0000190800000000 ] - [ -0.0002764400000000, 0.0019575700000000, -0.0006100800000000 ] - [ 0.0002237900000000, -0.0012917800000000, -0.0001370200000000 ] - [ 0.0024101000000000, -0.0102203300000000, -0.0016822500000000 ] - [ -0.0005302300000000, -0.0010366300000000, -0.0000470400000000 ] - [ 0.0006692300000000, -0.0020301000000000, 0.0000956000000000 ] - [ 0.0004291300000000, -0.0013936200000000, 0.0001328900000000 ] - [ -0.0004707300000000, 0.0045323700000000, 0.0094179200000000 ] - [ -0.0000356600000000, 0.0006876400000000, -0.0015333400000000 ] - [ -0.0004402100000000, -0.0008573200000000, 0.0005754600000000 ] - [ -0.0003875500000000, -0.0010193100000000, -0.0000510000000000 ] - [ -0.0031026000000000, -0.0096642000000000, 0.0015954100000000 ] - [ 0.0003749700000000, -0.0012371000000000, 0.0000274600000000 ] - [ -0.0002272100000000, -0.0012798700000000, -0.0000291600000000 ] - [ -0.0002905800000000, 0.0007165800000000, 0.0004053100000000 ] - [ 0.0003612300000000, -0.0007606700000000, 0.0007232400000000 ] - [ 0.0003992000000000, 0.0049280600000000, -0.0098394800000000 ] - [ -0.0001151800000000, -0.0007483400000000, -0.0003690500000000 ] - [ 0.0003928400000000, 0.0016895800000000, 0.0007707000000000 ] - [ 0.0001709700000000, -0.0009900500000000, 0.0000150700000000 ] - [ -0.0004994600000000, -0.0011238800000000, -0.0007222700000000 ] - [ -0.0009860300000000, -0.0027958700000000, -0.0006211100000000 ] - [ -0.0023120300000000, -0.0006315900000000, -0.0014241500000000 ] - [ 0.0001761600000000, -0.0002419500000000, 0.0004001100000000 ] - [ -0.0000945700000000, 0.0016116800000000, 0.0002058800000000 ] - [ 0.0015459100000000, -0.0004074800000000, 0.0005254900000000 ] - [ 0.0000844100000000, -0.0017859400000000, -0.0003748400000000 ] - [ -0.0001382600000000, -0.0015266100000000, 0.0003106000000000 ] - [ -0.0021723300000000, 0.0012648600000000, -0.0006930900000000 ] - [ -0.0000485900000000, 0.0008456400000000, 0.0003362000000000 ] - [ 0.0003897300000000, 0.0025385900000000, -0.0000694700000000 ] - [ 0.0000694700000000, 0.0003638100000000, 0.0002703400000000 ] - [ -0.0001481900000000, 0.0004560600000000, -0.0000147300000000 ] - [ 0.0000592400000000, 0.0006169400000000, -0.0002339900000000 ] - [ -0.0263647500000000, -0.0336537600000000, 0.0055547900000000 ] - [ 0.0002804300000000, 0.0006759700000000, -0.0001820200000000 ] - [ 0.0040120800000000, -0.0082603200000000, 0.0016678800000000 ] - [ -0.0004011300000000, 0.0009767500000000, 0.0000139100000000 ] - [ -0.0005240200000000, -0.0010956300000000, -0.0001074300000000 ] - [ 0.0001268200000000, 0.0003861700000000, -0.0001419400000000 ] - [ 0.0005374500000000, 0.0006508800000000, 0.0000261000000000 ] - [ 0.0008100700000000, -0.0009517000000000, -0.0003279000000000 ] - [ 0.0002902900000000, 0.0008129100000000, -0.0008514600000000 ] - [ -0.0001143400000000, -0.0132334600000000, 0.0002523600000000 ] - [ 0.0000788400000000, 0.0010211200000000, -0.0003096900000000 ] - [ 0.0001012800000000, 0.0010432700000000, -0.0001393200000000 ] - [ -0.0003869100000000, 0.0009312900000000, 0.0000927700000000 ] - [ 0.0001362800000000, 0.0009367200000000, 0.0004895900000000 ] - [ -0.0001464700000000, -0.0000637700000000, 0.0003435600000000 ] - [ -0.0002798100000000, 0.0010786000000000, 0.0001659600000000 ] - [ 0.0001554700000000, 0.0011457600000000, -0.0003010200000000 ] - [ 0.0000705300000000, 0.0007214100000000, 0.0001850100000000 ] - [ -0.0003404200000000, 0.0003250700000000, -0.0003794000000000 ] - [ 0.0240058900000000, -0.0362467100000000, -0.0050041100000000 ] - [ 0.0004222300000000, 0.0008490100000000, 0.0001424800000000 ] - [ 0.0025644000000000, 0.0011341800000000, 0.0008164900000000 ] - [ -0.0007030700000000, 0.0023143300000000, 0.0001025900000000 ] - [ -0.0002106000000000, -0.0002107300000000, -0.0001537500000000 ] - [ -0.0000748900000000, 0.0005025000000000, -0.0001968600000000 ] - [ 0.0007709400000000, -0.0005920300000000, 0.0000352900000000 ] - [ 0.0004326300000000, 0.0007515900000000, -0.0000168100000000 ] - [ -0.0009509800000000, -0.0015491300000000, 0.0001637700000000 ] - [ -0.0004313200000000, 0.0009007900000000, 0.0000161400000000 ] - [ 0.0001529200000000, 0.0011443200000000, 0.0000148500000000 ] - [ 0.0027248800000000, -0.0014766900000000, 0.0017290000000000 ] - [ 0.0002730200000000, 0.0013215900000000, -0.0001218300000000 ] - [ 0.0002612800000000, 0.0008379800000000, -0.0000933900000000 ] - [ -0.0001266900000000, 0.0009003200000000, 0.0002956700000000 ] - [ 0.0002624700000000, -0.0013155000000000, -0.0003642300000000 ] - [ 0.0007351800000000, 0.0015456500000000, 0.0014698500000000 ]- atom: 13 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ -0.0001126800000000, 0.0007522000000000, 0.0008321700000000 ] - [ -0.0002958200000000, 0.0001833900000000, -0.0026137300000000 ] - [ -0.0000351700000000, -0.0000362300000000, 0.0000846500000000 ] - [ 0.0000967600000000, 0.0001716900000000, -0.0007591300000000 ] - [ -0.0000953400000000, 0.0009160900000000, 0.0011824600000000 ] - [ -0.0003060100000000, -0.0000846000000000, -0.0004474100000000 ] - [ 0.0000877200000000, 0.0003508400000000, 0.0003421000000000 ] - [ -0.0000755100000000, 0.0000507400000000, -0.0001183500000000 ] - [ 0.0000081800000000, -0.0009154800000000, 0.0012042100000000 ] - [ -0.0003019600000000, -0.0001856900000000, -0.0006019400000000 ] - [ -0.0000242600000000, -0.0000907800000000, 0.0001097700000000 ] - [ 0.0000426600000000, -0.0005209400000000, -0.0008257200000000 ] - [ 0.0249361300000000, -0.0002698200000000, -0.0826993400000000 ] - [ -0.0000533500000000, 0.0000210200000000, -0.0001247500000000 ] - [ -0.0004848400000000, -0.0000196900000000, 0.0001981000000000 ] - [ 0.0003814400000000, 0.0009136400000000, 0.0005697900000000 ] - [ -0.0000018400000000, 0.0000337300000000, -0.0001663400000000 ] - [ 0.0043359300000000, -0.0026548600000000, -0.0044522300000000 ] - [ -0.0004692200000000, 0.0000115700000000, -0.0000078300000000 ] - [ 0.0005512100000000, -0.0003238500000000, -0.0000496400000000 ] - [ 0.0004613000000000, -0.0001039400000000, 0.0001460700000000 ] - [ -0.0075121800000000, 0.0099968100000000, 0.0120922600000000 ] - [ -0.0001536300000000, 0.0007873000000000, -0.0012504200000000 ] - [ -0.0000066500000000, 0.0000134700000000, 0.0008333700000000 ] - [ -0.0004400300000000, 0.0000390600000000, -0.0001007100000000 ] - [ 0.0041623700000000, 0.0029883900000000, -0.0039412700000000 ] - [ 0.0004327200000000, 0.0000192800000000, 0.0000107800000000 ] - [ 0.0000979400000000, 0.0000085600000000, 0.0000880200000000 ] - [ -0.0001772900000000, -0.0004916000000000, -0.0005337700000000 ] - [ -0.0000340800000000, 0.0002582600000000, 0.0004025500000000 ] - [ -0.0087799000000000, -0.0095225100000000, 0.0124618200000000 ] - [ 0.0000558500000000, -0.0003227000000000, -0.0002750600000000 ] - [ 0.0008843400000000, -0.0007188100000000, 0.0005661400000000 ] - [ -0.0000372800000000, -0.0000234700000000, 0.0000524100000000 ] - [ -0.0000086100000000, 0.0002019900000000, -0.0006676400000000 ] - [ -0.0005769000000000, -0.0009564000000000, 0.0022416300000000 ] - [ 0.0016382200000000, -0.0012488800000000, -0.0007625600000000 ] - [ 0.0003743900000000, -0.0006283100000000, 0.0002420300000000 ] - [ -0.0001125000000000, 0.0004737400000000, 0.0001999000000000 ] - [ 0.0005372400000000, 0.0000665800000000, 0.0000187000000000 ] - [ 0.0002014300000000, 0.0000023900000000, -0.0003614600000000 ] - [ 0.0001074100000000, -0.0008353200000000, 0.0002124900000000 ] - [ -0.0012051700000000, 0.0000780500000000, -0.0002341600000000 ] - [ -0.0000753800000000, -0.0000242900000000, 0.0003152800000000 ] - [ 0.0000529700000000, 0.0021081200000000, 0.0003124800000000 ] - [ -0.0001143500000000, -0.0002760400000000, 0.0001800300000000 ] - [ 0.0000429600000000, -0.0001360600000000, -0.0000914500000000 ] - [ -0.0001689700000000, -0.0003235500000000, -0.0000702100000000 ] - [ -0.0180471800000000, -0.0166765000000000, 0.0109446400000000 ] - [ 0.0002907700000000, -0.0004910400000000, -0.0001168500000000 ] - [ 0.0054120400000000, -0.0005051000000000, 0.0070464300000000 ] - [ -0.0004138700000000, 0.0001296100000000, 0.0000146900000000 ] - [ 0.0008118900000000, 0.0000727400000000, 0.0007216000000000 ] - [ -0.0001222100000000, -0.0000577500000000, -0.0002793500000000 ] - [ 0.0004663600000000, -0.0000578100000000, -0.0000025000000000 ] - [ -0.0005485600000000, 0.0004847800000000, -0.0003804000000000 ] - [ -0.0008957300000000, -0.0022124800000000, 0.0003885500000000 ] - [ 0.0097538800000000, 0.0000370400000000, 0.0396126500000000 ] - [ 0.0001069000000000, -0.0000494900000000, -0.0003105800000000 ] - [ 0.0000003500000000, 0.0002090300000000, -0.0001534000000000 ] - [ -0.0002187800000000, 0.0003022700000000, 0.0001565100000000 ] - [ 0.0001803900000000, 0.0001859200000000, 0.0001898400000000 ] - [ -0.0001498900000000, 0.0003748500000000, 0.0001155500000000 ] - [ -0.0000895500000000, 0.0001602400000000, 0.0000710100000000 ] - [ 0.0000778400000000, 0.0000395100000000, -0.0002964200000000 ] - [ 0.0000104300000000, -0.0002905600000000, 0.0001419500000000 ] - [ -0.0001023500000000, -0.0001759100000000, -0.0002439400000000 ] - [ -0.0161194000000000, 0.0170489200000000, 0.0104629400000000 ] - [ 0.0002017900000000, 0.0001985200000000, 0.0002737100000000 ] - [ -0.0012647600000000, -0.0006376400000000, 0.0002195400000000 ] - [ 0.0005398600000000, -0.0025453600000000, -0.0000866300000000 ] - [ 0.0000505900000000, 0.0001416600000000, 0.0000896200000000 ] - [ 0.0000215400000000, -0.0003498200000000, -0.0001549300000000 ] - [ 0.0004798000000000, 0.0001524000000000, -0.0001012900000000 ] - [ 0.0004848900000000, 0.0000311200000000, 0.0000053900000000 ] - [ -0.0011681400000000, -0.0002542200000000, -0.0002574300000000 ] - [ -0.0004376300000000, 0.0000477500000000, 0.0000144400000000 ] - [ -0.0002258000000000, 0.0004113500000000, -0.0003648500000000 ] - [ 0.0024068000000000, 0.0014591100000000, -0.0011321100000000 ] - [ 0.0002281500000000, 0.0000552100000000, -0.0001550600000000 ] - [ 0.0000862400000000, 0.0002239600000000, -0.0000514700000000 ] - [ -0.0000857900000000, 0.0000193700000000, 0.0003046000000000 ] - [ 0.0001104100000000, 0.0004526900000000, -0.0002645600000000 ] - [ 0.0003384900000000, 0.0023325100000000, -0.0001659500000000 ]- atom: 13 displacement: [ 0.0032041063292312, 0.0000000000000000, -0.0094727874794582 ] forces: - [ 0.0001119800000000, 0.0000426400000000, -0.0008355700000000 ] - [ 0.0003179700000000, -0.0000864200000000, 0.0026204200000000 ] - [ 0.0000352900000000, -0.0000623500000000, -0.0000844200000000 ] - [ -0.0000944800000000, -0.0009714400000000, 0.0007642700000000 ] - [ 0.0001028400000000, -0.0010287400000000, -0.0011980500000000 ] - [ 0.0003070000000000, 0.0002004900000000, 0.0004483900000000 ] - [ -0.0000892900000000, 0.0004431900000000, -0.0003440400000000 ] - [ 0.0000762900000000, 0.0000477700000000, 0.0001176900000000 ] - [ -0.0000018200000000, 0.0008142500000000, -0.0012194300000000 ] - [ 0.0003029900000000, -0.0006089800000000, 0.0006028200000000 ] - [ 0.0000248000000000, -0.0000257800000000, -0.0001111100000000 ] - [ -0.0000417000000000, 0.0006443900000000, 0.0008336000000000 ] - [ -0.0244003300000000, 0.0003523700000000, 0.0853125100000000 ] - [ 0.0000637600000000, -0.0000354900000000, 0.0001274600000000 ] - [ 0.0013171200000000, 0.0000950800000000, -0.0000731300000000 ] - [ -0.0003860700000000, -0.0009011700000000, -0.0005763700000000 ] - [ -0.0000074700000000, -0.0000487700000000, 0.0001602200000000 ] - [ -0.0042997100000000, 0.0032356300000000, 0.0054995200000000 ] - [ -0.0003601800000000, -0.0000881600000000, -0.0001141500000000 ] - [ -0.0005757500000000, -0.0002345300000000, -0.0009913800000000 ] - [ 0.0003706600000000, 0.0000290300000000, -0.0000311100000000 ] - [ 0.0074982800000000, -0.0100667200000000, -0.0121425600000000 ] - [ 0.0001312300000000, -0.0002292700000000, 0.0002193500000000 ] - [ 0.0000301600000000, -0.0005746400000000, 0.0002015400000000 ] - [ -0.0003916000000000, 0.0000360500000000, -0.0000165200000000 ] - [ -0.0041453600000000, -0.0030170900000000, 0.0039542000000000 ] - [ 0.0003980600000000, 0.0000566700000000, 0.0001106400000000 ] - [ -0.0001070700000000, 0.0000051100000000, -0.0000918200000000 ] - [ 0.0001707700000000, 0.0004775200000000, 0.0005302700000000 ] - [ 0.0000586600000000, 0.0003004300000000, 0.0006344400000000 ] - [ 0.0079297600000000, 0.0095332000000000, -0.0126385600000000 ] - [ -0.0000797100000000, -0.0002373600000000, -0.0007640100000000 ] - [ -0.0000509200000000, 0.0006429500000000, -0.0004534500000000 ] - [ 0.0000451800000000, 0.0000375500000000, -0.0000466700000000 ] - [ -0.0000157900000000, 0.0003573500000000, -0.0003677000000000 ] - [ 0.0006023900000000, 0.0003993100000000, -0.0012112000000000 ] - [ -0.0021046000000000, 0.0018098900000000, 0.0010704700000000 ] - [ 0.0000332400000000, 0.0002284100000000, 0.0002770000000000 ] - [ 0.0001146500000000, 0.0002096500000000, 0.0001235500000000 ] - [ -0.0006370600000000, 0.0002380500000000, 0.0000924400000000 ] - [ -0.0000057200000000, 0.0000465500000000, -0.0002528100000000 ] - [ -0.0001066100000000, 0.0001526200000000, 0.0001094800000000 ] - [ 0.0007976100000000, -0.0004861600000000, -0.0002807500000000 ] - [ -0.0001212800000000, -0.0000306400000000, 0.0002982200000000 ] - [ 0.0003558700000000, -0.0017123900000000, 0.0002089400000000 ] - [ -0.0003441400000000, -0.0002730300000000, 0.0001224700000000 ] - [ 0.0000510900000000, -0.0001668700000000, -0.0000270100000000 ] - [ 0.0000742100000000, 0.0000211500000000, 0.0001842300000000 ] - [ 0.0177767200000000, 0.0155821900000000, -0.0112638900000000 ] - [ 0.0001675500000000, -0.0000571300000000, -0.0001856100000000 ] - [ -0.0050682900000000, 0.0005880200000000, -0.0073294700000000 ] - [ -0.0004691000000000, -0.0001895200000000, 0.0000009600000000 ] - [ -0.0017010400000000, -0.0000134300000000, -0.0007086500000000 ] - [ -0.0002857400000000, 0.0004640700000000, -0.0002379500000000 ] - [ 0.0004178000000000, -0.0000016800000000, -0.0000140400000000 ] - [ 0.0010084300000000, 0.0000635200000000, 0.0000773800000000 ] - [ 0.0009886600000000, 0.0025277300000000, -0.0004900300000000 ] - [ -0.0102941000000000, 0.0000147600000000, -0.0413584700000000 ] - [ 0.0000886800000000, -0.0000039000000000, -0.0003012500000000 ] - [ -0.0000052200000000, 0.0004715700000000, -0.0001727600000000 ] - [ -0.0002416600000000, 0.0002465600000000, 0.0001442400000000 ] - [ 0.0002293400000000, -0.0005911500000000, 0.0003273800000000 ] - [ 0.0001584200000000, 0.0003131400000000, 0.0002078900000000 ] - [ -0.0000073300000000, 0.0001450900000000, 0.0000446600000000 ] - [ 0.0001159400000000, 0.0000145500000000, -0.0003117500000000 ] - [ -0.0000068600000000, -0.0003952200000000, 0.0001792500000000 ] - [ -0.0003067800000000, -0.0002276300000000, -0.0002740100000000 ] - [ 0.0157116200000000, -0.0167159600000000, -0.0098650000000000 ] - [ 0.0002067900000000, 0.0002057000000000, 0.0002441100000000 ] - [ 0.0008106200000000, 0.0000922700000000, 0.0000830800000000 ] - [ -0.0004451400000000, 0.0022456300000000, -0.0000312100000000 ] - [ -0.0001450300000000, -0.0004455300000000, 0.0000253100000000 ] - [ -0.0000262100000000, -0.0003355900000000, -0.0001669000000000 ] - [ -0.0000270600000000, -0.0007029800000000, -0.0002026100000000 ] - [ 0.0004029800000000, 0.0000272900000000, -0.0000190700000000 ] - [ 0.0002791800000000, 0.0001962800000000, 0.0002691800000000 ] - [ -0.0004512500000000, 0.0000111400000000, -0.0000020200000000 ] - [ -0.0001828300000000, -0.0000097900000000, -0.0001541100000000 ] - [ -0.0015269300000000, -0.0015318700000000, 0.0011264800000000 ] - [ 0.0002319500000000, 0.0004936900000000, -0.0001459900000000 ] - [ 0.0000100300000000, 0.0000811900000000, -0.0000653500000000 ] - [ -0.0001069400000000, 0.0000364200000000, 0.0003021700000000 ] - [ 0.0000867000000000, -0.0005134300000000, -0.0003422900000000 ] - [ -0.0003491000000000, -0.0016573000000000, -0.0001419600000000 ]- atom: 14 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ 0.0031314700000000, 0.0075974000000000, 0.0044926900000000 ] - [ 0.0003566500000000, -0.0001913400000000, 0.0003237900000000 ] - [ 0.0031325600000000, -0.0071104300000000, 0.0039584900000000 ] - [ 0.0031900200000000, -0.0029370600000000, 0.0029613200000000 ] - [ 0.0007819000000000, -0.0003692700000000, 0.0001805900000000 ] - [ 0.0062823000000000, 0.0000677600000000, -0.0041749400000000 ] - [ 0.0003019000000000, 0.0005687200000000, 0.0001063200000000 ] - [ -0.0000441700000000, -0.0013631600000000, 0.0001096800000000 ] - [ 0.0001189900000000, -0.0000220100000000, 0.0000519000000000 ] - [ -0.0001535200000000, -0.0004736700000000, -0.0000481600000000 ] - [ -0.0000966400000000, -0.0005224500000000, 0.0000088300000000 ] - [ 0.0001788100000000, 0.0001869400000000, 0.0001394500000000 ] - [ -0.0000606000000000, 0.0003395000000000, -0.0000014400000000 ] - [ -0.1390926600000000, 0.0089402400000000, -0.0186841700000000 ] - [ -0.0000630100000000, 0.0002718900000000, -0.0000975200000000 ] - [ -0.0022135900000000, 0.0005697400000000, -0.0001035400000000 ] - [ 0.0041771900000000, 0.0001122100000000, 0.0003876600000000 ] - [ 0.0010459900000000, 0.0016859400000000, 0.0005255000000000 ] - [ -0.0047836100000000, -0.0004978000000000, -0.0094438400000000 ] - [ 0.0015714400000000, -0.0003824300000000, 0.0008353400000000 ] - [ 0.0022998900000000, 0.0002307300000000, 0.0011000600000000 ] - [ 0.0007350300000000, 0.0005145800000000, 0.0001325900000000 ] - [ -0.0025192800000000, 0.0020873500000000, -0.0018518000000000 ] - [ -0.0038987400000000, -0.0004586800000000, -0.0123110500000000 ] - [ -0.0070768000000000, 0.0031368900000000, 0.0020565800000000 ] - [ 0.0001426300000000, 0.0000939300000000, 0.0000296700000000 ] - [ 0.0011097400000000, -0.0002443900000000, 0.0001129500000000 ] - [ 0.0001035500000000, -0.0004172900000000, 0.0001037300000000 ] - [ -0.0001629000000000, 0.0001452600000000, -0.0000242200000000 ] - [ -0.0010768800000000, 0.0012394500000000, 0.0008753700000000 ] - [ -0.0002367700000000, 0.0001237300000000, -0.0000446300000000 ] - [ -0.0003609500000000, -0.0001392100000000, -0.0006011600000000 ] - [ 0.0000960900000000, 0.0001770900000000, 0.0000592700000000 ] - [ -0.0010530500000000, 0.0009429900000000, -0.0009223300000000 ] - [ 0.0000481300000000, 0.0001496900000000, -0.0004011700000000 ] - [ 0.0001381500000000, -0.0002681200000000, 0.0005116200000000 ] - [ -0.0007056100000000, 0.0003112100000000, -0.0000046200000000 ] - [ 0.0010548700000000, 0.0011196800000000, 0.0021802300000000 ] - [ -0.0008373300000000, 0.0002383900000000, -0.0005816000000000 ] - [ 0.0018526200000000, -0.0019687300000000, 0.0005436900000000 ] - [ 0.0004517200000000, -0.0004556900000000, -0.0002894400000000 ] - [ 0.0005585700000000, -0.0007573100000000, 0.0003748300000000 ] - [ -0.0021574200000000, -0.0007616700000000, -0.0005207600000000 ] - [ 0.0214526500000000, 0.0193784500000000, -0.0064127400000000 ] - [ -0.0026807700000000, -0.0014238900000000, -0.0001012900000000 ] - [ 0.0736159500000000, 0.0049318900000000, 0.0288180700000000 ] - [ 0.0327433600000000, -0.0349128400000000, -0.0096782400000000 ] - [ -0.0012141400000000, -0.0010385500000000, -0.0010703600000000 ] - [ -0.0003499100000000, -0.0007682600000000, -0.0002359300000000 ] - [ -0.0033293000000000, 0.0000271000000000, -0.0020283100000000 ] - [ 0.0001888800000000, -0.0000158900000000, -0.0000754500000000 ] - [ -0.0029494600000000, 0.0012243000000000, -0.0005548200000000 ] - [ -0.0003511000000000, 0.0002127200000000, 0.0000314900000000 ] - [ 0.0032662000000000, -0.0021942200000000, 0.0022834200000000 ] - [ 0.0024362400000000, 0.0025213200000000, 0.0014681200000000 ] - [ 0.0005092000000000, 0.0020143800000000, -0.0000274200000000 ] - [ -0.0005594700000000, -0.0006071500000000, -0.0002310300000000 ] - [ -0.0002556800000000, -0.0002011800000000, 0.0002667400000000 ] - [ -0.0006063400000000, 0.0002824200000000, -0.0006391500000000 ] - [ 0.0078037300000000, 0.0002271400000000, 0.0144716100000000 ] - [ 0.0003305300000000, 0.0004804700000000, 0.0003829200000000 ] - [ 0.0001619300000000, -0.0001266100000000, 0.0002373000000000 ] - [ 0.0001064700000000, 0.0001429600000000, 0.0001620600000000 ] - [ -0.0002360000000000, 0.0003273000000000, -0.0000117100000000 ] - [ -0.0005442600000000, 0.0006685500000000, -0.0003027600000000 ] - [ -0.0000977100000000, -0.0001128200000000, 0.0001784300000000 ] - [ 0.0002127600000000, -0.0001967900000000, -0.0002059800000000 ] - [ -0.0002073800000000, -0.0001869000000000, 0.0002868300000000 ] - [ 0.0002721500000000, -0.0003871300000000, 0.0003038500000000 ] - [ -0.0003330300000000, -0.0003227000000000, 0.0001244700000000 ] - [ 0.0000347600000000, -0.0001865200000000, -0.0000563100000000 ] - [ 0.0000055400000000, -0.0002000700000000, 0.0001081300000000 ] - [ 0.0010919000000000, -0.0028472000000000, -0.0002474800000000 ] - [ 0.0002387700000000, -0.0003889900000000, -0.0001476700000000 ] - [ 0.0024478700000000, 0.0015430400000000, 0.0002538600000000 ] - [ -0.0003939200000000, 0.0000136400000000, 0.0000126800000000 ] - [ -0.0007018200000000, 0.0007426700000000, -0.0000326100000000 ] - [ -0.0003303200000000, 0.0002337000000000, -0.0002803400000000 ] - [ 0.0003459900000000, -0.0000655900000000, -0.0000376100000000 ] - [ 0.0003674300000000, 0.0005971600000000, -0.0001112900000000 ] - [ 0.0000496700000000, -0.0001916700000000, -0.0000514200000000 ] - [ 0.0010445400000000, -0.0007664300000000, 0.0015581800000000 ] - [ 0.0002086400000000, -0.0002059800000000, -0.0002846200000000 ] - [ -0.0000612100000000, 0.0002676100000000, -0.0001793300000000 ]- atom: 14 displacement: [ -0.0099999882766160, 0.0000000000000000, -0.0000153123330198 ] forces: - [ -0.0030907500000000, -0.0067840000000000, -0.0044762900000000 ] - [ -0.0003548000000000, 0.0002848400000000, -0.0003235900000000 ] - [ -0.0030952200000000, 0.0070008200000000, -0.0039362900000000 ] - [ -0.0031918800000000, 0.0021335000000000, -0.0029457300000000 ] - [ -0.0007806200000000, 0.0002365700000000, -0.0001799300000000 ] - [ -0.0062272300000000, 0.0000675500000000, 0.0041825500000000 ] - [ -0.0003007800000000, 0.0002343200000000, -0.0001036600000000 ] - [ 0.0000493500000000, 0.0014497000000000, -0.0001082200000000 ] - [ -0.0001180700000000, -0.0000690700000000, -0.0000504800000000 ] - [ 0.0001537600000000, -0.0003303600000000, 0.0000479800000000 ] - [ 0.0000982800000000, 0.0003909600000000, -0.0000061400000000 ] - [ -0.0001773700000000, -0.0000589700000000, -0.0001377300000000 ] - [ -0.0007817400000000, -0.0002636600000000, -0.0001196700000000 ] - [ 0.1362591000000000, -0.0100138100000000, 0.0160759800000000 ] - [ 0.0009075100000000, -0.0001938500000000, 0.0002268100000000 ] - [ 0.0022004800000000, -0.0005442700000000, 0.0001053000000000 ] - [ -0.0041913300000000, -0.0001321200000000, -0.0003878000000000 ] - [ -0.0010167100000000, -0.0011219200000000, 0.0005166600000000 ] - [ 0.0038945700000000, 0.0004297200000000, 0.0092986400000000 ] - [ -0.0015889500000000, -0.0001734800000000, -0.0018796400000000 ] - [ -0.0014499400000000, -0.0003106500000000, -0.0009783500000000 ] - [ -0.0007282000000000, -0.0004921500000000, -0.0001316600000000 ] - [ 0.0024812600000000, -0.0015125100000000, 0.0008129300000000 ] - [ 0.0038731900000000, -0.0001266300000000, 0.0133634600000000 ] - [ 0.0062185200000000, -0.0030461800000000, -0.0022040400000000 ] - [ -0.0001364600000000, -0.0001161900000000, -0.0000316500000000 ] - [ -0.0002689800000000, 0.0003188900000000, 0.0000168700000000 ] - [ -0.0001047600000000, 0.0004391600000000, -0.0001009600000000 ] - [ 0.0001603500000000, -0.0001655600000000, 0.0000235100000000 ] - [ 0.0010974500000000, -0.0006737800000000, 0.0001637400000000 ] - [ -0.0006003600000000, -0.0002009300000000, -0.0000808600000000 ] - [ 0.0003385900000000, -0.0004218800000000, -0.0004386400000000 ] - [ 0.0007440200000000, -0.0002527600000000, 0.0000634000000000 ] - [ 0.0010502300000000, -0.0009176500000000, 0.0009226800000000 ] - [ -0.0000694900000000, 0.0004112000000000, -0.0006372500000000 ] - [ -0.0001152000000000, -0.0002958400000000, 0.0005258300000000 ] - [ 0.0002629400000000, 0.0002447700000000, 0.0003138000000000 ] - [ -0.0006269000000000, -0.0015119500000000, -0.0016519200000000 ] - [ 0.0008374900000000, 0.0004417000000000, 0.0009171300000000 ] - [ -0.0019431800000000, 0.0022617500000000, -0.0004379900000000 ] - [ -0.0002597700000000, 0.0005146500000000, -0.0003256700000000 ] - [ -0.0005595100000000, 0.0000735500000000, -0.0000443500000000 ] - [ 0.0017268200000000, 0.0003522100000000, 0.0000025800000000 ] - [ -0.0217323700000000, -0.0199214500000000, 0.0072321900000000 ] - [ 0.0031030500000000, 0.0018310500000000, 0.0006200300000000 ] - [ -0.0707788400000000, -0.0051313500000000, -0.0268744100000000 ] - [ -0.0332307000000000, 0.0357582300000000, 0.0099776800000000 ] - [ 0.0011173000000000, 0.0007304900000000, 0.0011777400000000 ] - [ 0.0003548200000000, 0.0000923800000000, -0.0000917800000000 ] - [ 0.0037755200000000, -0.0005849600000000, 0.0017206100000000 ] - [ 0.0007090500000000, 0.0000775700000000, 0.0000617500000000 ] - [ 0.0020443900000000, -0.0012886600000000, 0.0005696300000000 ] - [ -0.0005508400000000, -0.0001525100000000, -0.0000182800000000 ] - [ -0.0036780800000000, 0.0025874800000000, -0.0028044600000000 ] - [ -0.0015370200000000, -0.0025702800000000, -0.0014830900000000 ] - [ -0.0000595900000000, -0.0014555300000000, -0.0002803200000000 ] - [ 0.0006571300000000, 0.0009120300000000, 0.0001270900000000 ] - [ 0.0000694200000000, 0.0002629700000000, 0.0003503100000000 ] - [ 0.0007954900000000, -0.0003435600000000, 0.0000230700000000 ] - [ -0.0076624700000000, 0.0004721500000000, -0.0145409000000000 ] - [ -0.0007713800000000, 0.0000769000000000, -0.0000717700000000 ] - [ 0.0002655600000000, -0.0002819900000000, 0.0002815900000000 ] - [ -0.0001100900000000, 0.0005380400000000, 0.0001694100000000 ] - [ 0.0001376200000000, -0.0000196100000000, 0.0001124000000000 ] - [ 0.0007322600000000, -0.0006076100000000, -0.0003144600000000 ] - [ 0.0000899000000000, -0.0005659800000000, 0.0001522200000000 ] - [ -0.0006364500000000, -0.0002121600000000, -0.0003106400000000 ] - [ 0.0000209100000000, 0.0001241400000000, 0.0003309700000000 ] - [ 0.0001549000000000, 0.0007951600000000, 0.0002140900000000 ] - [ -0.0001103100000000, -0.0002337700000000, 0.0001864700000000 ] - [ 0.0000647800000000, -0.0001196800000000, -0.0000432400000000 ] - [ -0.0001010400000000, -0.0001064300000000, -0.0000066800000000 ] - [ -0.0010839100000000, 0.0021614300000000, -0.0000798000000000 ] - [ 0.0002055900000000, -0.0001673500000000, -0.0001615800000000 ] - [ -0.0015403800000000, -0.0014689300000000, -0.0002616700000000 ] - [ -0.0005031500000000, -0.0000760800000000, 0.0000029200000000 ] - [ -0.0001908100000000, -0.0006786600000000, 0.0000473900000000 ] - [ -0.0000959600000000, 0.0001766400000000, -0.0002367600000000 ] - [ 0.0005514600000000, 0.0000034400000000, 0.0000216300000000 ] - [ 0.0000746600000000, -0.0000410700000000, -0.0001977900000000 ] - [ 0.0000495600000000, 0.0004964700000000, -0.0000484300000000 ] - [ -0.0012272300000000, 0.0008201800000000, -0.0009330100000000 ] - [ -0.0000172600000000, 0.0001425300000000, -0.0003309900000000 ] - [ 0.0000688300000000, 0.0004126300000000, -0.0001504500000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015842900000000, -0.0015501100000000, -0.0005886700000000 ] - [ -0.0003101600000000, 0.0012708100000000, -0.0002389500000000 ] - [ -0.0017311600000000, -0.0039880400000000, 0.0010068800000000 ] - [ -0.0027640200000000, 0.0027277200000000, -0.0028698800000000 ] - [ -0.0008802300000000, 0.0012884400000000, -0.0002669100000000 ] - [ 0.0004461700000000, -0.0026217400000000, -0.0006499000000000 ] - [ 0.0003793900000000, 0.0016186800000000, 0.0001370400000000 ] - [ -0.0013811000000000, -0.0002407100000000, 0.0000050800000000 ] - [ -0.0000551700000000, 0.0010724600000000, -0.0000230500000000 ] - [ -0.0002985700000000, 0.0006950000000000, -0.0000815900000000 ] - [ -0.0006983700000000, 0.0009593400000000, -0.0006526100000000 ] - [ 0.0001406200000000, 0.0012288700000000, 0.0001041900000000 ] - [ -0.0006436400000000, 0.0009819000000000, -0.0001058000000000 ] - [ 0.0108570200000000, -0.0905837300000000, -0.0104097200000000 ] - [ 0.0005078700000000, 0.0013214800000000, 0.0000495300000000 ] - [ 0.0005512300000000, 0.0015689800000000, 0.0001298000000000 ] - [ -0.0001239000000000, -0.0023761900000000, -0.0001903700000000 ] - [ -0.0010563300000000, -0.0000067200000000, 0.0003008900000000 ] - [ 0.0003940400000000, -0.0045506200000000, -0.0103738100000000 ] - [ -0.0004751200000000, -0.0018715900000000, -0.0011284600000000 ] - [ 0.0003532900000000, -0.0019929500000000, 0.0009972200000000 ] - [ -0.0005018900000000, 0.0006146200000000, 0.0000221300000000 ] - [ 0.0018517600000000, 0.0019042000000000, -0.0007925200000000 ] - [ -0.0006892200000000, -0.0051718100000000, 0.0113486900000000 ] - [ -0.0045051800000000, 0.0096985200000000, 0.0017372400000000 ] - [ 0.0001070700000000, 0.0009944600000000, 0.0000185400000000 ] - [ -0.0000398800000000, -0.0006863100000000, 0.0004197200000000 ] - [ -0.0004281900000000, 0.0001514800000000, -0.0001347200000000 ] - [ -0.0001581100000000, 0.0011920000000000, 0.0000191800000000 ] - [ -0.0010526400000000, 0.0024725800000000, 0.0007086300000000 ] - [ -0.0004690800000000, 0.0009565300000000, -0.0000473200000000 ] - [ -0.0004586700000000, 0.0010874300000000, -0.0008277000000000 ] - [ 0.0004001600000000, 0.0012465600000000, 0.0000563500000000 ] - [ -0.0009292700000000, 0.0022423700000000, -0.0010023200000000 ] - [ 0.0000314000000000, 0.0009711900000000, -0.0001834800000000 ] - [ 0.0002864800000000, 0.0007692400000000, 0.0006512400000000 ] - [ 0.0002638500000000, -0.0002088400000000, 0.0002999400000000 ] - [ 0.0002696800000000, -0.0015084500000000, -0.0008433400000000 ] - [ 0.0001280800000000, 0.0023620300000000, 0.0000928000000000 ] - [ -0.0007016400000000, -0.0005866700000000, -0.0003514000000000 ] - [ -0.0000031300000000, -0.0010676000000000, -0.0003003100000000 ] - [ -0.0001983700000000, -0.0013440700000000, 0.0001453800000000 ] - [ 0.0017179700000000, 0.0000344000000000, 0.0001353900000000 ] - [ 0.0192403400000000, 0.0301033300000000, -0.0033950100000000 ] - [ 0.0009984400000000, 0.0011987800000000, 0.0002770300000000 ] - [ 0.0052015600000000, 0.0085990700000000, 0.0024933700000000 ] - [ -0.0339218200000000, 0.0406918700000000, 0.0071480700000000 ] - [ 0.0004141600000000, 0.0014144100000000, 0.0007697700000000 ] - [ 0.0003816500000000, -0.0009713400000000, -0.0001147200000000 ] - [ 0.0001375400000000, 0.0007542100000000, -0.0002848300000000 ] - [ 0.0006209500000000, -0.0006306200000000, 0.0000502700000000 ] - [ -0.0007568500000000, 0.0016434200000000, 0.0001027600000000 ] - [ -0.0003892200000000, -0.0009084800000000, 0.0000313500000000 ] - [ -0.0020829100000000, 0.0008704500000000, -0.0018053200000000 ] - [ 0.0029147800000000, 0.0018461500000000, 0.0018510400000000 ] - [ 0.0003325700000000, -0.0013163000000000, -0.0001874600000000 ] - [ 0.0001515300000000, 0.0000383400000000, -0.0000020200000000 ] - [ 0.0000280200000000, -0.0007303400000000, 0.0003600300000000 ] - [ 0.0002883800000000, 0.0013423200000000, -0.0004348900000000 ] - [ 0.0004976300000000, 0.0137536900000000, 0.0031704300000000 ] - [ 0.0005113800000000, -0.0004916500000000, 0.0004807800000000 ] - [ 0.0003628700000000, -0.0008630100000000, 0.0001587300000000 ] - [ 0.0000512400000000, -0.0007350600000000, 0.0001553900000000 ] - [ -0.0000028400000000, -0.0001764400000000, -0.0000867900000000 ] - [ -0.0001369500000000, 0.0006808500000000, -0.0000882600000000 ] - [ 0.0001255100000000, -0.0004360400000000, 0.0002292400000000 ] - [ 0.0000252800000000, -0.0012188800000000, -0.0000804800000000 ] - [ -0.0000497800000000, -0.0008822200000000, 0.0003046900000000 ] - [ 0.0000928100000000, -0.0011534300000000, 0.0004172200000000 ] - [ -0.0003271800000000, -0.0009662800000000, 0.0001009100000000 ] - [ 0.0002999800000000, -0.0008926900000000, -0.0001131800000000 ] - [ -0.0002932100000000, -0.0010002000000000, 0.0001728900000000 ] - [ 0.0007967400000000, -0.0030565600000000, 0.0000033800000000 ] - [ 0.0002803000000000, -0.0011373800000000, -0.0001161600000000 ] - [ 0.0033054200000000, -0.0011453300000000, 0.0006859400000000 ] - [ -0.0004155300000000, -0.0009705100000000, 0.0000186600000000 ] - [ 0.0001654500000000, 0.0004683900000000, 0.0002286500000000 ] - [ -0.0002175600000000, -0.0004024500000000, -0.0003717300000000 ] - [ 0.0004854200000000, -0.0007273200000000, -0.0000032900000000 ] - [ 0.0007454700000000, -0.0000564200000000, -0.0000405700000000 ] - [ -0.0002618700000000, -0.0009256200000000, 0.0000165300000000 ] - [ 0.0005949900000000, -0.0011388500000000, 0.0020383500000000 ] - [ 0.0001038200000000, -0.0010532900000000, -0.0002948900000000 ] - [ -0.0000158700000000, -0.0004937200000000, -0.0001689200000000 ]- atom: 14 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015705600000000, 0.0023796700000000, 0.0005968700000000 ] - [ 0.0003084100000000, -0.0011790500000000, 0.0002352100000000 ] - [ 0.0017414900000000, 0.0038985000000000, -0.0009979100000000 ] - [ 0.0027409400000000, -0.0035591200000000, 0.0028813500000000 ] - [ 0.0008747700000000, -0.0014488900000000, 0.0002630400000000 ] - [ -0.0004519800000000, 0.0027819500000000, 0.0006610000000000 ] - [ -0.0003806900000000, -0.0007809800000000, -0.0001363700000000 ] - [ 0.0013844900000000, 0.0003287300000000, -0.0000066100000000 ] - [ 0.0000534600000000, -0.0011615900000000, 0.0000253400000000 ] - [ 0.0003001600000000, -0.0015339400000000, 0.0000800600000000 ] - [ 0.0007004300000000, -0.0011257400000000, 0.0006547100000000 ] - [ -0.0001404400000000, -0.0010698400000000, -0.0001041200000000 ] - [ -0.0001790900000000, -0.0009056300000000, -0.0000098600000000 ] - [ -0.0081137900000000, 0.0909986200000000, 0.0092242900000000 ] - [ 0.0003132500000000, -0.0012421400000000, 0.0000702700000000 ] - [ -0.0005657300000000, -0.0015433100000000, -0.0001300500000000 ] - [ 0.0001149800000000, 0.0023554800000000, 0.0001860300000000 ] - [ 0.0010790400000000, 0.0005698400000000, 0.0007382300000000 ] - [ -0.0012241900000000, 0.0044855900000000, 0.0102587800000000 ] - [ 0.0004578600000000, 0.0013096000000000, 0.0000928700000000 ] - [ 0.0004659800000000, 0.0019127200000000, -0.0008834100000000 ] - [ 0.0005107200000000, -0.0005985300000000, -0.0000171100000000 ] - [ -0.0018657300000000, -0.0013318800000000, -0.0002517300000000 ] - [ 0.0007070000000000, 0.0045889500000000, -0.0102913900000000 ] - [ 0.0036408000000000, -0.0096948200000000, -0.0018470500000000 ] - [ -0.0000969500000000, -0.0010134700000000, -0.0000168900000000 ] - [ 0.0008637100000000, 0.0007635500000000, -0.0002988500000000 ] - [ 0.0004219700000000, -0.0001337200000000, 0.0001321500000000 ] - [ 0.0001488000000000, -0.0012114000000000, -0.0000252400000000 ] - [ 0.0010644100000000, -0.0019008300000000, 0.0003297200000000 ] - [ -0.0003535700000000, -0.0010341900000000, -0.0000723800000000 ] - [ 0.0004381800000000, -0.0016537100000000, -0.0002075900000000 ] - [ 0.0004261300000000, -0.0013233300000000, 0.0000615600000000 ] - [ 0.0009346900000000, -0.0022258200000000, 0.0010014900000000 ] - [ -0.0000505800000000, -0.0004082000000000, -0.0008481700000000 ] - [ -0.0002657200000000, -0.0013311300000000, 0.0003830100000000 ] - [ -0.0006967600000000, 0.0007525100000000, 0.0000164700000000 ] - [ 0.0001524700000000, 0.0011037500000000, 0.0013825400000000 ] - [ -0.0001226300000000, -0.0016627500000000, 0.0002400200000000 ] - [ 0.0006061500000000, 0.0008711300000000, 0.0004537100000000 ] - [ 0.0001884500000000, 0.0011127100000000, -0.0003174100000000 ] - [ 0.0001890200000000, 0.0006436500000000, 0.0001873900000000 ] - [ -0.0021457100000000, -0.0004434100000000, -0.0006573400000000 ] - [ -0.0203606900000000, -0.0314499800000000, 0.0045544000000000 ] - [ -0.0005796000000000, -0.0007866100000000, 0.0002391500000000 ] - [ -0.0060808300000000, -0.0092271700000000, -0.0023809400000000 ] - [ 0.0326825900000000, -0.0399473900000000, -0.0067094400000000 ] - [ -0.0005003200000000, -0.0017059200000000, -0.0006625800000000 ] - [ -0.0003724100000000, 0.0002780300000000, -0.0002186600000000 ] - [ 0.0002946700000000, -0.0013013600000000, -0.0000306800000000 ] - [ 0.0002745900000000, 0.0006881700000000, -0.0000694100000000 ] - [ -0.0001497500000000, -0.0017042300000000, -0.0000883200000000 ] - [ -0.0005045400000000, 0.0009647800000000, -0.0000099500000000 ] - [ 0.0016585200000000, -0.0004545700000000, 0.0012780300000000 ] - [ -0.0020190500000000, -0.0019133500000000, -0.0018732300000000 ] - [ 0.0001084600000000, 0.0018578000000000, -0.0001254100000000 ] - [ -0.0000597600000000, 0.0002562300000000, -0.0001015100000000 ] - [ -0.0002145800000000, 0.0007782800000000, 0.0002600500000000 ] - [ -0.0001016600000000, -0.0013982200000000, -0.0001791800000000 ] - [ -0.0004513300000000, -0.0130158900000000, -0.0032746600000000 ] - [ -0.0009423300000000, 0.0010384900000000, -0.0001652900000000 ] - [ 0.0000564200000000, 0.0004580800000000, 0.0003641100000000 ] - [ -0.0000581400000000, 0.0014329600000000, 0.0001728200000000 ] - [ -0.0000904600000000, 0.0004706300000000, 0.0001871800000000 ] - [ 0.0003219200000000, -0.0006302000000000, -0.0005259300000000 ] - [ -0.0001361000000000, -0.0002628300000000, 0.0001022600000000 ] - [ -0.0004415600000000, 0.0008070500000000, -0.0004376000000000 ] - [ -0.0001341600000000, 0.0008228600000000, 0.0003039100000000 ] - [ 0.0003269500000000, 0.0015561100000000, 0.0001012900000000 ] - [ -0.0001007100000000, 0.0004182000000000, 0.0002148500000000 ] - [ -0.0002125300000000, 0.0005995800000000, 0.0000004800000000 ] - [ 0.0002009900000000, 0.0007021200000000, -0.0000676300000000 ] - [ -0.0007798900000000, 0.0023431200000000, -0.0003373100000000 ] - [ 0.0001548600000000, 0.0005901500000000, -0.0001979600000000 ] - [ -0.0024167600000000, 0.0012157800000000, -0.0007081200000000 ] - [ -0.0004887000000000, 0.0009104800000000, -0.0000060000000000 ] - [ -0.0010673400000000, -0.0004125700000000, -0.0002130300000000 ] - [ -0.0001961200000000, 0.0008161200000000, -0.0001420000000000 ] - [ 0.0004246200000000, 0.0006657500000000, -0.0000084300000000 ] - [ -0.0003157000000000, 0.0006001400000000, -0.0002771200000000 ] - [ 0.0003541500000000, 0.0012190800000000, -0.0001213600000000 ] - [ -0.0007791900000000, 0.0011952600000000, -0.0014065800000000 ] - [ 0.0000784300000000, 0.0009979500000000, -0.0003155100000000 ] - [ 0.0000134000000000, 0.0011875600000000, -0.0001613100000000 ]- atom: 14 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ -0.0003996400000000, -0.0004075500000000, 0.0010813500000000 ] - [ -0.0001189500000000, 0.0001385100000000, -0.0002896100000000 ] - [ -0.0000577400000000, 0.0008588500000000, 0.0012022400000000 ] - [ -0.0008397400000000, 0.0017081200000000, -0.0038332000000000 ] - [ 0.0002092500000000, -0.0003051900000000, 0.0007165300000000 ] - [ -0.0002653700000000, -0.0001834600000000, -0.0026201000000000 ] - [ -0.0000592700000000, 0.0004204100000000, 0.0001425400000000 ] - [ 0.0000232600000000, 0.0005771400000000, -0.0008205300000000 ] - [ 0.0000089900000000, -0.0000920500000000, 0.0000902500000000 ] - [ 0.0000445400000000, -0.0003726900000000, -0.0001148600000000 ] - [ 0.0000989800000000, -0.0000204400000000, 0.0003582200000000 ] - [ -0.0000804200000000, 0.0000037900000000, -0.0001208100000000 ] - [ -0.0004244100000000, 0.0000517800000000, -0.0001657000000000 ] - [ 0.0284611200000000, -0.0123293400000000, -0.0853538400000000 ] - [ 0.0004948800000000, -0.0001607300000000, -0.0000796600000000 ] - [ 0.0006097900000000, -0.0000485800000000, 0.0004046900000000 ] - [ -0.0009715500000000, 0.0001283200000000, 0.0001051300000000 ] - [ -0.0004073300000000, 0.0003099700000000, -0.0002887100000000 ] - [ -0.0091514300000000, 0.0089883400000000, 0.0116193800000000 ] - [ 0.0003587300000000, -0.0011169100000000, 0.0002476400000000 ] - [ 0.0009533800000000, 0.0004524700000000, 0.0006788700000000 ] - [ -0.0001103900000000, -0.0001723600000000, 0.0002669500000000 ] - [ -0.0003944400000000, -0.0006540300000000, -0.0012044800000000 ] - [ -0.0079794600000000, -0.0093762400000000, 0.0155449500000000 ] - [ 0.0039799000000000, -0.0024503100000000, -0.0039189700000000 ] - [ -0.0000167500000000, -0.0000244500000000, -0.0000436200000000 ] - [ 0.0002360600000000, 0.0005204100000000, -0.0004701800000000 ] - [ 0.0000654000000000, 0.0000183700000000, 0.0001971800000000 ] - [ 0.0000299200000000, -0.0000768000000000, -0.0000575400000000 ] - [ 0.0006279500000000, -0.0002625500000000, -0.0002396900000000 ] - [ -0.0004432000000000, -0.0000811300000000, -0.0000041400000000 ] - [ 0.0001219900000000, -0.0003549900000000, -0.0004060900000000 ] - [ 0.0004678200000000, -0.0000848300000000, 0.0001282900000000 ] - [ -0.0005412800000000, 0.0006597000000000, 0.0013511500000000 ] - [ 0.0000115500000000, 0.0003883900000000, -0.0006704600000000 ] - [ -0.0000088100000000, -0.0002680300000000, 0.0005842900000000 ] - [ -0.0002517900000000, 0.0003601100000000, 0.0001537300000000 ] - [ -0.0000724600000000, 0.0019288800000000, 0.0000859500000000 ] - [ 0.0000565100000000, 0.0004540500000000, -0.0000091400000000 ] - [ -0.0003431500000000, 0.0002363300000000, 0.0001456000000000 ] - [ -0.0000230600000000, 0.0000404800000000, -0.0003043100000000 ] - [ 0.0000240800000000, 0.0000697300000000, 0.0000259600000000 ] - [ 0.0006893900000000, -0.0003120100000000, -0.0001164300000000 ] - [ -0.0125565100000000, -0.0138943400000000, 0.0092233400000000 ] - [ -0.0001290500000000, 0.0000432500000000, 0.0003152200000000 ] - [ 0.0028582400000000, -0.0000282000000000, 0.0077612700000000 ] - [ -0.0188486400000000, 0.0220015500000000, 0.0115385700000000 ] - [ -0.0003753200000000, 0.0003722100000000, 0.0003658600000000 ] - [ 0.0001618300000000, -0.0004871400000000, -0.0001563100000000 ] - [ 0.0015435100000000, -0.0003366000000000, 0.0005285600000000 ] - [ 0.0004970500000000, 0.0000180800000000, 0.0000101300000000 ] - [ -0.0011141300000000, 0.0003236500000000, -0.0002476700000000 ] - [ -0.0004840400000000, 0.0002419800000000, 0.0000134700000000 ] - [ 0.0015292500000000, 0.0015597000000000, -0.0011089900000000 ] - [ 0.0025329800000000, -0.0013657000000000, -0.0011715400000000 ] - [ -0.0000186300000000, -0.0008360100000000, -0.0002605100000000 ] - [ 0.0002986500000000, 0.0005041000000000, 0.0000463300000000 ] - [ -0.0000818400000000, 0.0001237300000000, 0.0003038600000000 ] - [ 0.0001532900000000, -0.0004428200000000, -0.0002791300000000 ] - [ 0.0107166100000000, 0.0033333300000000, 0.0387759300000000 ] - [ -0.0001973700000000, 0.0000627100000000, 0.0000214400000000 ] - [ 0.0002253200000000, -0.0002590300000000, 0.0002545500000000 ] - [ -0.0000375600000000, 0.0004132900000000, 0.0001672300000000 ] - [ -0.0000065600000000, 0.0001417200000000, 0.0000696300000000 ] - [ 0.0000019300000000, 0.0000563000000000, -0.0003371700000000 ] - [ 0.0000658000000000, -0.0005808900000000, 0.0001554100000000 ] - [ -0.0003815100000000, -0.0001257700000000, -0.0002539700000000 ] - [ -0.0000700300000000, -0.0000251200000000, 0.0003106400000000 ] - [ 0.0002118800000000, 0.0006156000000000, 0.0002644200000000 ] - [ -0.0001964400000000, -0.0002655700000000, 0.0001619400000000 ] - [ 0.0000495700000000, -0.0001379200000000, -0.0000507400000000 ] - [ -0.0000652300000000, -0.0001335600000000, 0.0000229200000000 ] - [ -0.0006094900000000, 0.0016569800000000, 0.0000650000000000 ] - [ 0.0002342400000000, -0.0002735100000000, -0.0001470800000000 ] - [ -0.0005323200000000, 0.0003261300000000, 0.0000807200000000 ] - [ -0.0004488300000000, -0.0000608400000000, 0.0000025300000000 ] - [ -0.0002252500000000, -0.0003941700000000, 0.0000980800000000 ] - [ -0.0001998900000000, 0.0001583900000000, -0.0002597200000000 ] - [ 0.0004407200000000, -0.0000081100000000, -0.0000107600000000 ] - [ 0.0001348800000000, 0.0003080400000000, -0.0001834200000000 ] - [ -0.0000840600000000, -0.0003218100000000, -0.0000410900000000 ] - [ 0.0003142300000000, -0.0018855400000000, 0.0004270300000000 ] - [ 0.0000678600000000, 0.0000795700000000, -0.0003149200000000 ] - [ 0.0000120100000000, 0.0003628600000000, -0.0001598700000000 ]- atom: 14 displacement: [ 0.0032041063292312, 0.0000000000000000, -0.0094727874794582 ] forces: - [ 0.0004060900000000, 0.0012294100000000, -0.0010905200000000 ] - [ 0.0001186100000000, -0.0000457100000000, 0.0002909400000000 ] - [ 0.0000655600000000, -0.0009465300000000, -0.0012195200000000 ] - [ 0.0008291800000000, -0.0025237400000000, 0.0038390400000000 ] - [ -0.0002120200000000, 0.0001740800000000, -0.0007187700000000 ] - [ 0.0002857100000000, 0.0003179200000000, 0.0026336800000000 ] - [ 0.0000578300000000, 0.0004068000000000, -0.0001408000000000 ] - [ -0.0000207700000000, -0.0004880900000000, 0.0008336300000000 ] - [ -0.0000064500000000, -0.0000017800000000, -0.0000901700000000 ] - [ -0.0000446000000000, -0.0004505800000000, 0.0001172300000000 ] - [ -0.0000988700000000, -0.0001165000000000, -0.0003604400000000 ] - [ 0.0000814300000000, 0.0001319700000000, 0.0001248500000000 ] - [ -0.0003667200000000, 0.0000195100000000, 0.0000666000000000 ] - [ -0.0270657000000000, 0.0123556700000000, 0.0878682800000000 ] - [ 0.0002884600000000, 0.0002360400000000, 0.0001833700000000 ] - [ -0.0006361000000000, 0.0000632000000000, -0.0004244300000000 ] - [ 0.0009457400000000, -0.0001476600000000, -0.0001128500000000 ] - [ 0.0004367700000000, 0.0002383800000000, 0.0013416400000000 ] - [ 0.0083359900000000, -0.0091406300000000, -0.0117783600000000 ] - [ -0.0003770000000000, 0.0005625000000000, -0.0013017500000000 ] - [ -0.0001516100000000, -0.0005229800000000, -0.0005780000000000 ] - [ 0.0001371800000000, 0.0001873900000000, -0.0002457800000000 ] - [ 0.0003638700000000, 0.0012155700000000, 0.0001656200000000 ] - [ 0.0079666300000000, 0.0089169000000000, -0.0145510400000000 ] - [ -0.0047667500000000, 0.0025407000000000, 0.0038255500000000 ] - [ 0.0000439800000000, 0.0000116400000000, 0.0000637200000000 ] - [ 0.0005661300000000, -0.0004451400000000, 0.0005896000000000 ] - [ -0.0000911900000000, -0.0000020000000000, -0.0002138000000000 ] - [ -0.0000556300000000, 0.0000629300000000, 0.0000377500000000 ] - [ -0.0006037100000000, 0.0008187100000000, 0.0012890100000000 ] - [ -0.0003402400000000, 0.0000072100000000, -0.0001006000000000 ] - [ -0.0001474900000000, -0.0001946400000000, -0.0006414400000000 ] - [ 0.0003168900000000, 0.0000127300000000, -0.0000279900000000 ] - [ 0.0005679500000000, -0.0006441200000000, -0.0013330000000000 ] - [ -0.0000367900000000, 0.0001614100000000, -0.0003765300000000 ] - [ 0.0000398700000000, -0.0002814900000000, 0.0004600900000000 ] - [ -0.0002304700000000, 0.0001818100000000, 0.0001461700000000 ] - [ 0.0005298100000000, -0.0023603200000000, 0.0004493600000000 ] - [ -0.0000639300000000, 0.0002518900000000, 0.0003423500000000 ] - [ 0.0002358300000000, 0.0000746600000000, -0.0000510400000000 ] - [ 0.0002099800000000, 0.0000030000000000, -0.0003096300000000 ] - [ -0.0000338200000000, -0.0007770300000000, 0.0003046900000000 ] - [ -0.0011478600000000, -0.0001137100000000, -0.0004046100000000 ] - [ 0.0122006200000000, 0.0135194000000000, -0.0086041500000000 ] - [ 0.0005855000000000, 0.0003836300000000, 0.0002061100000000 ] - [ -0.0037931100000000, -0.0005515400000000, -0.0076769300000000 ] - [ 0.0186329100000000, -0.0218463800000000, -0.0116810100000000 ] - [ 0.0002776500000000, -0.0006808800000000, -0.0002714600000000 ] - [ -0.0001568100000000, -0.0002199300000000, -0.0001718700000000 ] - [ -0.0010661100000000, -0.0002042000000000, -0.0008288800000000 ] - [ 0.0003746900000000, 0.0000414300000000, -0.0000332800000000 ] - [ 0.0002487300000000, -0.0003836000000000, 0.0002755900000000 ] - [ -0.0003751500000000, -0.0001848700000000, 0.0000154400000000 ] - [ -0.0019850200000000, -0.0011450100000000, 0.0005969800000000 ] - [ -0.0016962300000000, 0.0013206900000000, 0.0011472600000000 ] - [ 0.0005062900000000, 0.0013786900000000, -0.0000351900000000 ] - [ -0.0001955200000000, -0.0001988100000000, -0.0001352300000000 ] - [ -0.0001049300000000, -0.0000722200000000, 0.0003048000000000 ] - [ 0.0000368700000000, 0.0003928500000000, -0.0003321200000000 ] - [ -0.0111058100000000, -0.0028255200000000, -0.0413849700000000 ] - [ -0.0002885200000000, 0.0004807200000000, 0.0002796000000000 ] - [ 0.0002295900000000, -0.0001713300000000, 0.0002642100000000 ] - [ 0.0000297200000000, 0.0002928800000000, 0.0001630400000000 ] - [ -0.0000994000000000, 0.0001648300000000, 0.0000255400000000 ] - [ 0.0001877000000000, -0.0000095900000000, -0.0002793100000000 ] - [ -0.0000730000000000, -0.0001180200000000, 0.0001781600000000 ] - [ -0.0000754300000000, -0.0003010300000000, -0.0002663800000000 ] - [ -0.0001190700000000, -0.0000166300000000, 0.0003108100000000 ] - [ 0.0002448700000000, -0.0001922100000000, 0.0002571600000000 ] - [ -0.0002880200000000, -0.0002767500000000, 0.0001392500000000 ] - [ 0.0000580300000000, -0.0001718600000000, -0.0000308100000000 ] - [ -0.0000420700000000, -0.0001758800000000, 0.0000689700000000 ] - [ 0.0006174700000000, -0.0023655700000000, -0.0003940100000000 ] - [ 0.0002510200000000, -0.0002659800000000, -0.0001495100000000 ] - [ 0.0013957500000000, -0.0002687000000000, -0.0001100300000000 ] - [ -0.0004189800000000, 0.0000021100000000, 0.0000279000000000 ] - [ -0.0006327200000000, 0.0004565100000000, -0.0000653500000000 ] - [ -0.0002597700000000, 0.0002623400000000, -0.0002634100000000 ] - [ 0.0004095600000000, -0.0000507100000000, -0.0000220100000000 ] - [ 0.0003501800000000, 0.0002328500000000, -0.0001140300000000 ] - [ 0.0001909800000000, 0.0006303300000000, -0.0000456900000000 ] - [ -0.0005050500000000, 0.0019476200000000, 0.0001988400000000 ] - [ 0.0001177100000000, -0.0001298400000000, -0.0002956800000000 ] - [ 0.0000030700000000, 0.0003407700000000, -0.0001704100000000 ]- atom: 18 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ 0.0025823000000000, 0.0003346000000000, -0.0008779200000000 ] - [ 0.0001328600000000, 0.0011754700000000, 0.0002211900000000 ] - [ 0.0003401900000000, 0.0000359500000000, 0.0000397000000000 ] - [ 0.0058250800000000, 0.0002046100000000, -0.0031125300000000 ] - [ 0.0033325700000000, 0.0059838500000000, 0.0030538500000000 ] - [ 0.0021376500000000, 0.0018896400000000, 0.0016438200000000 ] - [ -0.0000478700000000, 0.0001369000000000, -0.0000211500000000 ] - [ 0.0001705000000000, 0.0000304000000000, 0.0002052100000000 ] - [ -0.0000204600000000, 0.0003140100000000, 0.0000928200000000 ] - [ 0.0001702200000000, -0.0007676600000000, 0.0001570400000000 ] - [ 0.0000666800000000, -0.0003093500000000, 0.0000226100000000 ] - [ -0.0001222200000000, -0.0000083800000000, -0.0000225700000000 ] - [ -0.0071206100000000, -0.0023863900000000, 0.0022127600000000 ] - [ 0.0010381600000000, -0.0010825500000000, -0.0000910700000000 ] - [ 0.0011080500000000, 0.0000137700000000, 0.0001482300000000 ] - [ 0.0015777100000000, -0.0004425200000000, 0.0009202000000000 ] - [ -0.0025152400000000, -0.0018803300000000, -0.0012532600000000 ] - [ -0.0935271400000000, 0.0102284200000000, -0.0116509100000000 ] - [ -0.0000092800000000, -0.0004886200000000, 0.0000567400000000 ] - [ -0.0159115200000000, -0.0140275600000000, 0.0027813600000000 ] - [ -0.0014021500000000, -0.0007241400000000, 0.0000430400000000 ] - [ -0.0039167000000000, 0.0007033900000000, -0.0097187100000000 ] - [ 0.0034313900000000, 0.0009423700000000, 0.0004122200000000 ] - [ 0.0018799600000000, -0.0008982200000000, 0.0015386300000000 ] - [ -0.0001714700000000, -0.0003129100000000, -0.0000256300000000 ] - [ -0.0010888900000000, -0.0010749300000000, 0.0002811200000000 ] - [ -0.0000004000000000, -0.0004511400000000, -0.0000742100000000 ] - [ -0.0003558200000000, -0.0004327000000000, 0.0000215900000000 ] - [ 0.0000577900000000, -0.0000579500000000, 0.0000427900000000 ] - [ 0.0001522700000000, 0.0000109700000000, 0.0005854600000000 ] - [ -0.0013804000000000, -0.0010398000000000, -0.0010089400000000 ] - [ 0.0000648900000000, -0.0004702100000000, -0.0004382000000000 ] - [ 0.0005128400000000, 0.0000689400000000, 0.0001674500000000 ] - [ 0.0001300300000000, -0.0002597800000000, 0.0000223800000000 ] - [ -0.0002359400000000, -0.0000984100000000, -0.0006275600000000 ] - [ -0.0002978700000000, -0.0008106000000000, 0.0002629200000000 ] - [ 0.0012716400000000, -0.0020662300000000, 0.0014811900000000 ] - [ -0.0021954400000000, -0.0001873500000000, -0.0006637400000000 ] - [ 0.0030167900000000, 0.0022859800000000, -0.0000383900000000 ] - [ -0.0013579200000000, 0.0008792300000000, 0.0005013400000000 ] - [ -0.0002607900000000, -0.0003529500000000, -0.0003695700000000 ] - [ -0.0003639100000000, -0.0006864900000000, -0.0001071400000000 ] - [ 0.0524971000000000, -0.0064242000000000, 0.0192624000000000 ] - [ -0.0003055600000000, 0.0003977400000000, 0.0002762600000000 ] - [ 0.0210593300000000, 0.0197567300000000, -0.0085186900000000 ] - [ -0.0011443700000000, -0.0002321300000000, 0.0000525500000000 ] - [ -0.0013444400000000, 0.0013718500000000, -0.0002623100000000 ] - [ 0.0030770900000000, 0.0028218500000000, 0.0014939900000000 ] - [ 0.0212969500000000, -0.0211263100000000, -0.0105132300000000 ] - [ 0.0007315200000000, -0.0009598400000000, 0.0000390600000000 ] - [ 0.0023062100000000, -0.0015222800000000, 0.0000268100000000 ] - [ -0.0001761500000000, -0.0010214900000000, 0.0000011200000000 ] - [ -0.0008110100000000, -0.0004626300000000, -0.0000598900000000 ] - [ -0.0016948300000000, 0.0003042100000000, -0.0007382800000000 ] - [ 0.0001712800000000, 0.0000103600000000, -0.0001069800000000 ] - [ -0.0019017900000000, -0.0008084300000000, -0.0005002400000000 ] - [ 0.0060527200000000, 0.0048511500000000, 0.0109836400000000 ] - [ 0.0008163500000000, 0.0007892500000000, 0.0015901700000000 ] - [ 0.0005140500000000, 0.0005985200000000, -0.0001010800000000 ] - [ -0.0003874500000000, 0.0006812500000000, -0.0002468700000000 ] - [ -0.0002925900000000, 0.0004260800000000, 0.0001294400000000 ] - [ 0.0002346000000000, 0.0001102500000000, 0.0003384000000000 ] - [ 0.0000164000000000, 0.0004066500000000, 0.0001546100000000 ] - [ -0.0001022900000000, 0.0004698200000000, 0.0000875400000000 ] - [ 0.0004563200000000, 0.0007512900000000, -0.0002924200000000 ] - [ 0.0001046500000000, 0.0000294100000000, 0.0001862900000000 ] - [ -0.0002661000000000, -0.0000329500000000, -0.0003099700000000 ] - [ 0.0011010100000000, 0.0024215400000000, 0.0003089700000000 ] - [ 0.0001877300000000, 0.0003706500000000, 0.0002107500000000 ] - [ 0.0001606400000000, -0.0001746800000000, 0.0002197200000000 ] - [ -0.0001163800000000, 0.0005989400000000, -0.0000617700000000 ] - [ -0.0000671800000000, -0.0000810800000000, 0.0000221700000000 ] - [ -0.0000764200000000, -0.0000828100000000, -0.0001725300000000 ] - [ 0.0002708700000000, -0.0002637900000000, -0.0001403500000000 ] - [ 0.0002994200000000, 0.0001475600000000, -0.0000414500000000 ] - [ -0.0003949000000000, -0.0002046100000000, 0.0000255900000000 ] - [ -0.0002861500000000, 0.0000950000000000, 0.0000543200000000 ] - [ -0.0000760000000000, 0.0004375100000000, -0.0001681600000000 ] - [ 0.0009766300000000, -0.0002022300000000, 0.0002260200000000 ] - [ 0.0003180400000000, 0.0004509800000000, -0.0001333500000000 ] - [ 0.0000857600000000, 0.0003343100000000, -0.0000768400000000 ] - [ -0.0002009800000000, 0.0003039000000000, 0.0002751700000000 ] - [ -0.0000380000000000, -0.0000702300000000, -0.0002766100000000 ] - [ 0.0002503700000000, 0.0008115800000000, -0.0000581100000000 ]- atom: 18 displacement: [ -0.0099999882766160, 0.0000000000000000, -0.0000153123330198 ] forces: - [ -0.0025536800000000, 0.0004574700000000, 0.0008780700000000 ] - [ -0.0001264900000000, -0.0010714100000000, -0.0002179800000000 ] - [ -0.0003373200000000, -0.0001261600000000, -0.0000402600000000 ] - [ -0.0057971400000000, -0.0010224700000000, 0.0031365900000000 ] - [ -0.0033062500000000, -0.0061205600000000, -0.0030515600000000 ] - [ -0.0021267100000000, -0.0017511500000000, -0.0016240100000000 ] - [ 0.0000476900000000, 0.0006744100000000, 0.0000228000000000 ] - [ -0.0001702100000000, 0.0000673400000000, -0.0002012500000000 ] - [ 0.0000217000000000, -0.0004045600000000, -0.0000897500000000 ] - [ -0.0001693600000000, -0.0000390200000000, -0.0001570600000000 ] - [ -0.0000665500000000, 0.0001752700000000, -0.0000229100000000 ] - [ 0.0001215600000000, 0.0001415400000000, 0.0000247600000000 ] - [ 0.0062755200000000, 0.0024494900000000, -0.0023509300000000 ] - [ -0.0010225700000000, 0.0010615600000000, 0.0000988700000000 ] - [ -0.0002815000000000, 0.0000691600000000, -0.0000224100000000 ] - [ -0.0015925000000000, 0.0004800600000000, -0.0009245300000000 ] - [ 0.0024799400000000, 0.0018472300000000, 0.0012439900000000 ] - [ 0.0911362500000000, -0.0091222400000000, 0.0105677200000000 ] - [ -0.0008126400000000, 0.0004107200000000, -0.0001746800000000 ] - [ 0.0158320200000000, 0.0134592500000000, -0.0038379600000000 ] - [ 0.0022144400000000, 0.0006431600000000, 0.0000712900000000 ] - [ 0.0038723400000000, -0.0006683900000000, 0.0096930600000000 ] - [ -0.0034736800000000, -0.0003803400000000, -0.0014663600000000 ] - [ -0.0018672500000000, 0.0003301600000000, -0.0005046800000000 ] - [ -0.0006536700000000, 0.0003919900000000, -0.0000876000000000 ] - [ 0.0010956000000000, 0.0010483600000000, -0.0002817000000000 ] - [ 0.0008259100000000, 0.0005273300000000, 0.0001959300000000 ] - [ 0.0003404900000000, 0.0004541100000000, -0.0000223900000000 ] - [ -0.0000630900000000, 0.0000338100000000, -0.0000440400000000 ] - [ -0.0001332400000000, 0.0005582700000000, 0.0004581300000000 ] - [ 0.0005512700000000, 0.0009565100000000, 0.0008871500000000 ] - [ -0.0000870200000000, -0.0000971500000000, -0.0006020400000000 ] - [ 0.0003161900000000, -0.0001461300000000, -0.0000472200000000 ] - [ -0.0001185600000000, 0.0002839200000000, -0.0000188800000000 ] - [ 0.0002168200000000, 0.0006652300000000, -0.0004103200000000 ] - [ 0.0003195400000000, 0.0002414600000000, 0.0007797400000000 ] - [ -0.0017419300000000, 0.0026085300000000, -0.0011759100000000 ] - [ 0.0026114400000000, -0.0001988200000000, 0.0011941200000000 ] - [ -0.0030000500000000, -0.0015938800000000, 0.0003661500000000 ] - [ 0.0012665500000000, -0.0005731300000000, -0.0003943600000000 ] - [ 0.0004700600000000, 0.0003896300000000, -0.0002395500000000 ] - [ 0.0003711600000000, -0.0000039100000000, 0.0004328100000000 ] - [ -0.0505317400000000, 0.0055625600000000, -0.0185872400000000 ] - [ 0.0001065400000000, -0.0004547500000000, 0.0003460000000000 ] - [ -0.0207430200000000, -0.0197861300000000, 0.0092078400000000 ] - [ 0.0006802300000000, -0.0003239400000000, 0.0002494800000000 ] - [ 0.0014435000000000, -0.0016847800000000, 0.0001361700000000 ] - [ -0.0031617200000000, -0.0031095100000000, -0.0013729800000000 ] - [ -0.0212825900000000, 0.0208513400000000, 0.0104038100000000 ] - [ -0.0002753500000000, 0.0003977700000000, -0.0003361800000000 ] - [ -0.0014297600000000, 0.0015739300000000, -0.0000424400000000 ] - [ -0.0007007600000000, 0.0009506700000000, 0.0000192600000000 ] - [ -0.0000727600000000, 0.0005220600000000, 0.0000772000000000 ] - [ 0.0012988500000000, 0.0001086600000000, 0.0002305700000000 ] - [ 0.0006922100000000, -0.0000742800000000, 0.0000838800000000 ] - [ 0.0023754900000000, 0.0013644500000000, 0.0001994100000000 ] - [ -0.0058422800000000, -0.0045815900000000, -0.0106206600000000 ] - [ -0.0010130300000000, -0.0007384500000000, -0.0009644000000000 ] - [ -0.0003166900000000, -0.0006627000000000, -0.0005025100000000 ] - [ 0.0003862000000000, -0.0000164700000000, -0.0000815200000000 ] - [ -0.0001630000000000, 0.0001276900000000, 0.0001769400000000 ] - [ 0.0001758600000000, -0.0005047200000000, 0.0001854700000000 ] - [ 0.0000059700000000, 0.0002794100000000, 0.0001614600000000 ] - [ 0.0000063800000000, -0.0001629300000000, 0.0000237900000000 ] - [ -0.0002546700000000, -0.0006949300000000, -0.0003276900000000 ] - [ -0.0001048500000000, -0.0007009300000000, 0.0001478600000000 ] - [ -0.0001425600000000, -0.0003614000000000, -0.0002133500000000 ] - [ -0.0012929500000000, -0.0024691300000000, 0.0002868300000000 ] - [ 0.0002144500000000, 0.0000353300000000, 0.0003015600000000 ] - [ -0.0006217000000000, -0.0003810900000000, 0.0000817900000000 ] - [ 0.0002177200000000, -0.0009104700000000, -0.0000598600000000 ] - [ -0.0000316200000000, -0.0002301400000000, 0.0001042900000000 ] - [ 0.0000706700000000, -0.0006023100000000, -0.0001562500000000 ] - [ 0.0001895500000000, -0.0002908100000000, -0.0001603700000000 ] - [ 0.0005799300000000, -0.0000852300000000, 0.0000234200000000 ] - [ -0.0005090700000000, 0.0001418600000000, -0.0000173200000000 ] - [ -0.0005677700000000, -0.0000336700000000, -0.0000267200000000 ] - [ -0.0003267000000000, -0.0000319400000000, -0.0003432100000000 ] - [ -0.0000784300000000, 0.0001371100000000, -0.0002348900000000 ] - [ 0.0001414500000000, 0.0001034300000000, -0.0001698000000000 ] - [ 0.0000095100000000, -0.0000295100000000, -0.0000309300000000 ] - [ 0.0000088600000000, -0.0002376600000000, 0.0003301600000000 ] - [ 0.0002415100000000, 0.0000189700000000, -0.0003144200000000 ] - [ -0.0002669600000000, -0.0001224600000000, -0.0002553200000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0050036000000000, -0.0047171900000000, -0.0036362600000000 ] - [ 0.0012983600000000, -0.0003649400000000, -0.0002003100000000 ] - [ 0.0007353000000000, 0.0014730400000000, 0.0001800500000000 ] - [ -0.0011839400000000, -0.0034625700000000, 0.0008645100000000 ] - [ 0.0008960200000000, -0.0045778400000000, -0.0010587300000000 ] - [ 0.0032141300000000, 0.0034893200000000, 0.0028764800000000 ] - [ 0.0001258700000000, 0.0017007000000000, 0.0000962100000000 ] - [ 0.0002946100000000, 0.0013965700000000, 0.0002574100000000 ] - [ 0.0006977800000000, 0.0009882100000000, 0.0006424800000000 ] - [ -0.0001773700000000, 0.0009694300000000, -0.0001421300000000 ] - [ 0.0000206500000000, 0.0012132000000000, -0.0000071500000000 ] - [ 0.0003009100000000, 0.0011758000000000, 0.0000615900000000 ] - [ 0.0042135100000000, 0.0105420000000000, -0.0015918900000000 ] - [ 0.0014048000000000, -0.0002949200000000, 0.0005082100000000 ] - [ 0.0007575500000000, -0.0003695700000000, -0.0003604200000000 ] - [ -0.0001055700000000, -0.0015832700000000, -0.0009154200000000 ] - [ -0.0017981100000000, 0.0016064500000000, 0.0003773200000000 ] - [ 0.0107489300000000, -0.1084901700000000, 0.0160829400000000 ] - [ 0.0002119900000000, 0.0005378700000000, -0.0001586400000000 ] - [ -0.0136943500000000, 0.0060841600000000, -0.0100296800000000 ] - [ -0.0000708700000000, 0.0017036600000000, -0.0001539100000000 ] - [ 0.0001631500000000, -0.0048853300000000, 0.0097023600000000 ] - [ -0.0006676100000000, -0.0027030500000000, -0.0011405700000000 ] - [ 0.0006199000000000, -0.0011854500000000, -0.0000381500000000 ] - [ -0.0001873300000000, 0.0010789900000000, -0.0000016400000000 ] - [ 0.0009587400000000, 0.0021791900000000, -0.0002498700000000 ] - [ 0.0003573000000000, 0.0014386100000000, 0.0001227800000000 ] - [ 0.0001397900000000, 0.0013765600000000, -0.0000317900000000 ] - [ 0.0001288500000000, 0.0006808200000000, -0.0000718200000000 ] - [ -0.0002651900000000, 0.0015131100000000, 0.0003075500000000 ] - [ 0.0006427400000000, 0.0024805400000000, 0.0010116800000000 ] - [ -0.0001914700000000, 0.0008217400000000, -0.0007436500000000 ] - [ 0.0009177800000000, 0.0004266500000000, 0.0001816000000000 ] - [ -0.0000114400000000, 0.0010583100000000, -0.0000158900000000 ] - [ 0.0003722000000000, 0.0017167400000000, -0.0002742500000000 ] - [ 0.0005317500000000, 0.0013771200000000, 0.0009029100000000 ] - [ -0.0028602000000000, 0.0028426600000000, -0.0017310400000000 ] - [ 0.0004156400000000, 0.0012111000000000, 0.0008417100000000 ] - [ 0.0014406900000000, -0.0008859500000000, 0.0001426700000000 ] - [ -0.0003441600000000, 0.0023090300000000, 0.0007794300000000 ] - [ 0.0002453600000000, 0.0004854500000000, -0.0004902900000000 ] - [ -0.0002315100000000, 0.0009945700000000, 0.0003397500000000 ] - [ -0.0055034600000000, 0.0101131700000000, -0.0037661500000000 ] - [ -0.0004991100000000, -0.0007900700000000, 0.0002110100000000 ] - [ 0.0193382300000000, 0.0430299300000000, -0.0148411700000000 ] - [ -0.0025693000000000, -0.0006706200000000, -0.0004416000000000 ] - [ -0.0005176400000000, 0.0006247900000000, 0.0002247300000000 ] - [ 0.0018438000000000, 0.0007066200000000, 0.0013153200000000 ] - [ -0.0233315500000000, 0.0392948500000000, 0.0108261800000000 ] - [ -0.0003273900000000, -0.0017865300000000, 0.0000723500000000 ] - [ -0.0027701400000000, -0.0008129300000000, -0.0006966900000000 ] - [ -0.0005727700000000, -0.0018305200000000, -0.0000034500000000 ] - [ -0.0009527900000000, 0.0004712100000000, -0.0001976700000000 ] - [ -0.0011960800000000, 0.0016498600000000, -0.0004534700000000 ] - [ -0.0000469500000000, -0.0005865900000000, -0.0001489300000000 ] - [ 0.0006346500000000, 0.0018583700000000, -0.0001343800000000 ] - [ 0.0058954400000000, 0.0100959600000000, -0.0017124300000000 ] - [ -0.0009072100000000, -0.0012347100000000, -0.0014360600000000 ] - [ 0.0002629800000000, -0.0010794000000000, -0.0002934400000000 ] - [ -0.0002571300000000, 0.0005024100000000, -0.0003827800000000 ] - [ -0.0001930900000000, -0.0004967400000000, 0.0001887600000000 ] - [ 0.0002996700000000, -0.0012905700000000, 0.0000910800000000 ] - [ -0.0001434800000000, -0.0003235000000000, 0.0001389800000000 ] - [ 0.0002589500000000, -0.0008163900000000, -0.0000406400000000 ] - [ 0.0001208400000000, -0.0011450500000000, -0.0003336800000000 ] - [ -0.0000524100000000, -0.0014715200000000, 0.0001524800000000 ] - [ -0.0002571600000000, -0.0010336800000000, -0.0001233500000000 ] - [ -0.0009287400000000, -0.0027369300000000, 0.0000073600000000 ] - [ 0.0000648800000000, -0.0006526900000000, 0.0003897100000000 ] - [ -0.0007370600000000, -0.0012796400000000, 0.0000246000000000 ] - [ 0.0004890200000000, -0.0015956300000000, -0.0001318100000000 ] - [ -0.0002355900000000, -0.0007697000000000, 0.0001749100000000 ] - [ -0.0000193600000000, -0.0012765600000000, -0.0001621800000000 ] - [ 0.0000677100000000, -0.0008518900000000, -0.0001712800000000 ] - [ 0.0002679300000000, -0.0007607300000000, -0.0000559100000000 ] - [ -0.0009624500000000, -0.0004343200000000, -0.0001351500000000 ] - [ -0.0005205600000000, -0.0009989400000000, -0.0000220700000000 ] - [ -0.0002285400000000, -0.0007955600000000, -0.0004376100000000 ] - [ -0.0002578100000000, -0.0007632100000000, -0.0003413500000000 ] - [ 0.0001006400000000, -0.0007658500000000, -0.0002107400000000 ] - [ -0.0002207800000000, -0.0006449000000000, 0.0000243700000000 ] - [ -0.0002132800000000, -0.0007586000000000, 0.0002835500000000 ] - [ 0.0000039600000000, -0.0002423700000000, -0.0004055100000000 ] - [ -0.0002957300000000, -0.0010021700000000, -0.0002819800000000 ]- atom: 18 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0050310100000000, 0.0055301900000000, 0.0036385900000000 ] - [ -0.0012943400000000, 0.0004603100000000, 0.0001978000000000 ] - [ -0.0007393500000000, -0.0015730000000000, -0.0001811900000000 ] - [ 0.0011750500000000, 0.0026408000000000, -0.0008536500000000 ] - [ -0.0008921400000000, 0.0044420400000000, 0.0010634200000000 ] - [ -0.0032250600000000, -0.0033741900000000, -0.0028637900000000 ] - [ -0.0001268100000000, -0.0008833500000000, -0.0000950600000000 ] - [ -0.0002941400000000, -0.0013003000000000, -0.0002583600000000 ] - [ -0.0006954300000000, -0.0010812200000000, -0.0006386200000000 ] - [ 0.0001773000000000, -0.0017899300000000, 0.0001417700000000 ] - [ -0.0000215900000000, -0.0013445900000000, 0.0000068200000000 ] - [ -0.0003013200000000, -0.0010451500000000, -0.0000591700000000 ] - [ -0.0050885000000000, -0.0103747500000000, 0.0014762000000000 ] - [ -0.0014100200000000, 0.0002720200000000, -0.0005111600000000 ] - [ 0.0000952100000000, 0.0004460500000000, 0.0004906100000000 ] - [ 0.0001133700000000, 0.0016089300000000, 0.0009240100000000 ] - [ 0.0018116200000000, -0.0016411300000000, -0.0003813700000000 ] - [ -0.0085392100000000, 0.1091625200000000, -0.0173213600000000 ] - [ -0.0010621000000000, -0.0006169700000000, 0.0000296600000000 ] - [ 0.0137586900000000, -0.0067167600000000, 0.0091192400000000 ] - [ 0.0009122800000000, -0.0017864500000000, 0.0002771900000000 ] - [ -0.0001552000000000, 0.0048865500000000, -0.0097003900000000 ] - [ 0.0006478700000000, 0.0032732900000000, 0.0001094300000000 ] - [ -0.0006034200000000, 0.0006171200000000, 0.0010697300000000 ] - [ -0.0006621400000000, -0.0010017500000000, -0.0001229400000000 ] - [ -0.0009693100000000, -0.0022069100000000, 0.0002498700000000 ] - [ 0.0004893800000000, -0.0013620300000000, 0.0000064500000000 ] - [ -0.0001342600000000, -0.0013528300000000, 0.0000390700000000 ] - [ -0.0001205000000000, -0.0007080900000000, 0.0000726500000000 ] - [ 0.0002873700000000, -0.0009435900000000, 0.0007253800000000 ] - [ -0.0014920300000000, -0.0025560000000000, -0.0011481000000000 ] - [ 0.0001696600000000, -0.0013914300000000, -0.0002888400000000 ] - [ -0.0000664400000000, -0.0005076300000000, -0.0000551300000000 ] - [ 0.0000050500000000, -0.0010333300000000, 0.0000153600000000 ] - [ -0.0003945100000000, -0.0011487800000000, -0.0007586200000000 ] - [ -0.0005102100000000, -0.0019464500000000, 0.0001281200000000 ] - [ 0.0024350800000000, -0.0022834900000000, 0.0020446300000000 ] - [ -0.0000136200000000, -0.0016112500000000, -0.0003244600000000 ] - [ -0.0014438700000000, 0.0015793800000000, 0.0001855200000000 ] - [ 0.0002657300000000, -0.0020123600000000, -0.0006655200000000 ] - [ -0.0000451200000000, -0.0004309600000000, -0.0001130400000000 ] - [ 0.0002374200000000, -0.0016853300000000, -0.0000107600000000 ] - [ 0.0049222300000000, -0.0103970500000000, 0.0031514000000000 ] - [ 0.0003009200000000, 0.0007291100000000, 0.0003900100000000 ] - [ -0.0200036400000000, -0.0441851700000000, 0.0162217900000000 ] - [ 0.0021411300000000, 0.0001192000000000, 0.0007569400000000 ] - [ 0.0006077200000000, -0.0009260800000000, -0.0003421700000000 ] - [ -0.0019397400000000, -0.0010053300000000, -0.0012058000000000 ] - [ 0.0223228500000000, -0.0385426600000000, -0.0103254500000000 ] - [ 0.0007507400000000, 0.0012390600000000, -0.0003720300000000 ] - [ 0.0036969700000000, 0.0008614100000000, 0.0006950800000000 ] - [ -0.0003420900000000, 0.0017632700000000, 0.0000129500000000 ] - [ 0.0000190300000000, -0.0004113900000000, 0.0001975900000000 ] - [ 0.0008034900000000, -0.0012507700000000, -0.0000589700000000 ] - [ 0.0009777800000000, 0.0005264500000000, 0.0001463300000000 ] - [ -0.0002157700000000, -0.0013039700000000, -0.0001834700000000 ] - [ -0.0057620200000000, -0.0098518900000000, 0.0020739600000000 ] - [ 0.0006986100000000, 0.0012860100000000, 0.0020536000000000 ] - [ -0.0000607300000000, 0.0010312400000000, -0.0003175900000000 ] - [ 0.0002507900000000, 0.0001868600000000, 0.0000576800000000 ] - [ -0.0002323200000000, 0.0010484900000000, 0.0001291400000000 ] - [ 0.0001024900000000, 0.0008898700000000, 0.0004258800000000 ] - [ 0.0001483700000000, 0.0010124200000000, 0.0001913300000000 ] - [ -0.0003428300000000, 0.0011075600000000, 0.0001518700000000 ] - [ 0.0000805200000000, 0.0012061600000000, -0.0002671400000000 ] - [ 0.0000590200000000, 0.0007780200000000, 0.0001774700000000 ] - [ -0.0001441200000000, 0.0006332700000000, -0.0003926900000000 ] - [ 0.0007315700000000, 0.0026991500000000, 0.0005998000000000 ] - [ 0.0003346600000000, 0.0010524900000000, 0.0001267100000000 ] - [ 0.0003117100000000, 0.0007270300000000, 0.0002935200000000 ] - [ -0.0004035500000000, 0.0013035700000000, 0.0000199500000000 ] - [ 0.0001486200000000, 0.0004748200000000, -0.0000630600000000 ] - [ 0.0000177800000000, 0.0005918900000000, -0.0001694000000000 ] - [ 0.0003571700000000, 0.0002992600000000, -0.0001457200000000 ] - [ 0.0006483400000000, 0.0008199300000000, 0.0000478300000000 ] - [ 0.0000371800000000, 0.0003723800000000, 0.0001412700000000 ] - [ -0.0004056100000000, 0.0010604700000000, 0.0000261400000000 ] - [ -0.0001735300000000, 0.0011965300000000, -0.0000776200000000 ] - [ 0.0011814300000000, 0.0007004000000000, 0.0003359600000000 ] - [ 0.0003227000000000, 0.0013182700000000, -0.0001063200000000 ] - [ 0.0003066800000000, 0.0009387400000000, -0.0001376600000000 ] - [ 0.0000110700000000, 0.0008103700000000, 0.0003324600000000 ] - [ 0.0001966300000000, 0.0001901200000000, -0.0002031000000000 ] - [ 0.0002883300000000, 0.0016913300000000, -0.0000484700000000 ]- atom: 18 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ 0.0009654200000000, 0.0063544500000000, 0.0061180500000000 ] - [ 0.0001653400000000, -0.0005725800000000, -0.0009418400000000 ] - [ -0.0000799100000000, 0.0000743800000000, 0.0005705900000000 ] - [ 0.0005499700000000, 0.0005913800000000, -0.0022127900000000 ] - [ 0.0000421000000000, -0.0006678900000000, 0.0015137400000000 ] - [ -0.0020001100000000, -0.0017915700000000, -0.0036340800000000 ] - [ 0.0000589400000000, 0.0002902200000000, 0.0001069000000000 ] - [ -0.0002187800000000, -0.0001680500000000, -0.0003503200000000 ] - [ 0.0001548200000000, -0.0001870300000000, 0.0004887700000000 ] - [ -0.0001142400000000, -0.0004639300000000, -0.0001885000000000 ] - [ -0.0000358700000000, -0.0001593500000000, 0.0000684800000000 ] - [ 0.0000610500000000, -0.0001323000000000, -0.0001495000000000 ] - [ 0.0043868100000000, 0.0028924800000000, -0.0048678900000000 ] - [ -0.0003183500000000, 0.0001237600000000, -0.0007823800000000 ] - [ 0.0003392100000000, -0.0009100000000000, -0.0006491200000000 ] - [ 0.0007704000000000, -0.0004168000000000, 0.0009060000000000 ] - [ -0.0004674500000000, 0.0008355900000000, -0.0007120700000000 ] - [ 0.0199120900000000, 0.0128795100000000, -0.1233647800000000 ] - [ -0.0005898500000000, 0.0001570000000000, 0.0002035200000000 ] - [ 0.0082191700000000, -0.0049658900000000, 0.0043106300000000 ] - [ 0.0008695800000000, -0.0004021400000000, 0.0004900300000000 ] - [ -0.0109277900000000, -0.0104041600000000, 0.0140111600000000 ] - [ -0.0002261700000000, 0.0006628400000000, -0.0003840300000000 ] - [ 0.0003727200000000, 0.0004381300000000, 0.0016961800000000 ] - [ -0.0004706000000000, -0.0000386800000000, -0.0001770800000000 ] - [ 0.0006924800000000, 0.0005048000000000, -0.0007382300000000 ] - [ 0.0004476900000000, 0.0000056000000000, -0.0000793500000000 ] - [ 0.0000257200000000, -0.0001379000000000, 0.0000792700000000 ] - [ 0.0000869100000000, -0.0003142500000000, -0.0001237300000000 ] - [ 0.0000223600000000, 0.0001722300000000, 0.0004928300000000 ] - [ -0.0012082600000000, -0.0007988900000000, 0.0015926700000000 ] - [ 0.0000451900000000, -0.0004415300000000, -0.0004334200000000 ] - [ 0.0005844100000000, -0.0002157500000000, 0.0003351000000000 ] - [ -0.0000413700000000, -0.0000256400000000, 0.0000576500000000 ] - [ -0.0000387400000000, 0.0001740800000000, -0.0005997100000000 ] - [ -0.0001381300000000, -0.0004819700000000, 0.0008950400000000 ] - [ 0.0022399000000000, 0.0015638500000000, -0.0010376700000000 ] - [ 0.0002083000000000, -0.0005105300000000, 0.0000038000000000 ] - [ -0.0009379300000000, 0.0008345400000000, 0.0004336800000000 ] - [ 0.0003362800000000, 0.0001195300000000, -0.0015803100000000 ] - [ 0.0000159600000000, 0.0001836000000000, -0.0003639600000000 ] - [ 0.0000473700000000, 0.0001822800000000, 0.0002378700000000 ] - [ 0.0011549100000000, -0.0020745500000000, 0.0076861500000000 ] - [ 0.0000560100000000, 0.0001197100000000, 0.0003201100000000 ] - [ -0.0137012700000000, -0.0221277800000000, 0.0148492700000000 ] - [ 0.0008185200000000, -0.0002647200000000, 0.0002735000000000 ] - [ -0.0002858100000000, 0.0000376500000000, -0.0002823200000000 ] - [ -0.0002844200000000, -0.0009989000000000, -0.0006912300000000 ] - [ -0.0161012300000000, 0.0199104700000000, 0.0128903200000000 ] - [ 0.0000501500000000, -0.0017901100000000, 0.0005396200000000 ] - [ -0.0008150900000000, -0.0004034900000000, 0.0001590800000000 ] - [ -0.0004418600000000, 0.0012593600000000, 0.0000165100000000 ] - [ -0.0004778500000000, 0.0005958200000000, 0.0000814100000000 ] - [ -0.0008059900000000, -0.0005464200000000, -0.0004020100000000 ] - [ 0.0005286500000000, -0.0001245300000000, 0.0000117100000000 ] - [ -0.0003777800000000, 0.0000333900000000, -0.0003725100000000 ] - [ 0.0072656400000000, -0.0010562500000000, 0.0739082900000000 ] - [ 0.0004547500000000, 0.0024414200000000, 0.0003667500000000 ] - [ 0.0001708500000000, -0.0001830300000000, -0.0003739000000000 ] - [ -0.0001519600000000, -0.0001470800000000, -0.0000920000000000 ] - [ -0.0001963200000000, 0.0003301300000000, 0.0001596500000000 ] - [ 0.0001992900000000, -0.0000301100000000, 0.0002568500000000 ] - [ -0.0000542300000000, 0.0004800800000000, 0.0001411500000000 ] - [ -0.0000852000000000, 0.0002434700000000, 0.0000533300000000 ] - [ 0.0000375900000000, 0.0001847100000000, -0.0003047900000000 ] - [ 0.0000030800000000, -0.0002808500000000, 0.0001744500000000 ] - [ -0.0001602300000000, -0.0000963700000000, -0.0002749800000000 ] - [ -0.0009000500000000, -0.0021009500000000, 0.0004629200000000 ] - [ 0.0001789000000000, 0.0002872400000000, 0.0002392400000000 ] - [ -0.0004362600000000, -0.0003165300000000, 0.0001781600000000 ] - [ 0.0001566500000000, -0.0006039600000000, -0.0000326100000000 ] - [ 0.0000083000000000, 0.0000392900000000, 0.0000638600000000 ] - [ 0.0000325900000000, -0.0002511900000000, -0.0001712300000000 ] - [ 0.0001796800000000, -0.0000989500000000, -0.0001656000000000 ] - [ 0.0005406500000000, 0.0000959900000000, 0.0000159400000000 ] - [ -0.0006483000000000, 0.0000129700000000, -0.0000718300000000 ] - [ -0.0004170300000000, -0.0000126400000000, 0.0000406300000000 ] - [ -0.0002168700000000, 0.0003028600000000, -0.0002668400000000 ] - [ 0.0005193500000000, 0.0003051400000000, -0.0001842300000000 ] - [ 0.0002443000000000, 0.0003946000000000, -0.0001499200000000 ] - [ 0.0000629500000000, 0.0002019200000000, -0.0000494900000000 ] - [ -0.0000916100000000, -0.0000381600000000, 0.0003314500000000 ] - [ 0.0001228300000000, 0.0004257800000000, -0.0003089700000000 ] - [ 0.0000570800000000, 0.0010111600000000, -0.0002671100000000 ]- atom: 18 displacement: [ 0.0032041063292312, 0.0000000000000000, -0.0094727874794582 ] forces: - [ -0.0009722800000000, -0.0055763900000000, -0.0061567400000000 ] - [ -0.0001649000000000, 0.0006808600000000, 0.0009520500000000 ] - [ 0.0000769000000000, -0.0001741100000000, -0.0005731300000000 ] - [ -0.0005360000000000, -0.0013905400000000, 0.0022222900000000 ] - [ -0.0000378700000000, 0.0005484300000000, -0.0015283300000000 ] - [ 0.0019882300000000, 0.0018919600000000, 0.0036383200000000 ] - [ -0.0000596300000000, 0.0005035000000000, -0.0001058900000000 ] - [ 0.0002171700000000, 0.0002705000000000, 0.0003512600000000 ] - [ -0.0001547500000000, 0.0000868400000000, -0.0004925200000000 ] - [ 0.0001131100000000, -0.0003310100000000, 0.0001882200000000 ] - [ 0.0000347200000000, 0.0000450500000000, -0.0000695200000000 ] - [ -0.0000613400000000, 0.0002443700000000, 0.0001520300000000 ] - [ -0.0052088700000000, -0.0028358700000000, 0.0047563000000000 ] - [ 0.0003250200000000, -0.0001498100000000, 0.0007800400000000 ] - [ 0.0004733500000000, 0.0009944200000000, 0.0007719700000000 ] - [ -0.0007740500000000, 0.0004420300000000, -0.0009095200000000 ] - [ 0.0004608700000000, -0.0008683500000000, 0.0007176600000000 ] - [ -0.0185637500000000, -0.0125840600000000, 0.1281519900000000 ] - [ -0.0002400100000000, -0.0002331300000000, -0.0003262500000000 ] - [ -0.0082096900000000, 0.0043732200000000, -0.0053942700000000 ] - [ -0.0000425000000000, 0.0003282100000000, -0.0003751900000000 ] - [ 0.0109370900000000, 0.0105412400000000, -0.0140800200000000 ] - [ 0.0002041100000000, -0.0001007200000000, -0.0006526700000000 ] - [ -0.0003599300000000, -0.0010040100000000, -0.0006541900000000 ] - [ -0.0003489900000000, 0.0001180100000000, 0.0000637800000000 ] - [ -0.0006876500000000, -0.0005319100000000, 0.0007376500000000 ] - [ 0.0003685000000000, 0.0000718200000000, 0.0001985300000000 ] - [ -0.0000333400000000, 0.0001640300000000, -0.0000772600000000 ] - [ -0.0000913500000000, 0.0002866800000000, 0.0001277200000000 ] - [ -0.0000038700000000, 0.0003904000000000, 0.0005519300000000 ] - [ 0.0003834800000000, 0.0007217400000000, -0.0017209600000000 ] - [ -0.0000634000000000, -0.0001269100000000, -0.0006137600000000 ] - [ 0.0002431100000000, 0.0001405100000000, -0.0002181100000000 ] - [ 0.0000436500000000, 0.0000525100000000, -0.0000554100000000 ] - [ 0.0000189800000000, 0.0003878800000000, -0.0004452000000000 ] - [ 0.0001562200000000, -0.0000824900000000, 0.0001473400000000 ] - [ -0.0027105900000000, -0.0010311300000000, 0.0013482700000000 ] - [ 0.0002068100000000, 0.0001114200000000, 0.0005202200000000 ] - [ 0.0009517200000000, -0.0001391600000000, -0.0001008000000000 ] - [ -0.0004342100000000, 0.0001908100000000, 0.0016679900000000 ] - [ 0.0001994200000000, -0.0001400700000000, -0.0002518800000000 ] - [ -0.0000362700000000, -0.0008797900000000, 0.0001000200000000 ] - [ -0.0018456300000000, 0.0017259100000000, -0.0083581600000000 ] - [ -0.0002648800000000, -0.0001801900000000, 0.0002705700000000 ] - [ 0.0138973700000000, 0.0219985500000000, -0.0142935800000000 ] - [ -0.0012675900000000, -0.0002822700000000, 0.0000331000000000 ] - [ 0.0003780000000000, -0.0003454100000000, 0.0001647900000000 ] - [ 0.0001878500000000, 0.0007041100000000, 0.0007986400000000 ] - [ 0.0158198900000000, -0.0200478600000000, -0.0131281900000000 ] - [ 0.0003878000000000, 0.0012553900000000, -0.0008352400000000 ] - [ 0.0017539400000000, 0.0004623300000000, -0.0001574100000000 ] - [ -0.0004827800000000, -0.0013153700000000, -0.0000114000000000 ] - [ -0.0004145000000000, -0.0005402300000000, -0.0000644900000000 ] - [ 0.0004060000000000, 0.0009633300000000, -0.0001056000000000 ] - [ 0.0004006600000000, 0.0000691400000000, -0.0000135200000000 ] - [ 0.0008259600000000, 0.0005145600000000, 0.0000640700000000 ] - [ -0.0076899600000000, 0.0015204500000000, -0.0776354900000000 ] - [ -0.0006728400000000, -0.0024108300000000, 0.0002368800000000 ] - [ 0.0000367000000000, 0.0001259300000000, -0.0002199200000000 ] - [ 0.0001309100000000, 0.0008425600000000, -0.0002346000000000 ] - [ -0.0002448600000000, 0.0002141800000000, 0.0001523500000000 ] - [ 0.0002101400000000, -0.0003710400000000, 0.0002647100000000 ] - [ 0.0000742200000000, 0.0002121300000000, 0.0001864300000000 ] - [ -0.0000041400000000, 0.0000570300000000, 0.0000486800000000 ] - [ 0.0001802600000000, -0.0001369800000000, -0.0003123600000000 ] - [ 0.0000037900000000, -0.0004039000000000, 0.0001702800000000 ] - [ -0.0002508900000000, -0.0003009900000000, -0.0002485700000000 ] - [ 0.0006769600000000, 0.0020638700000000, 0.0001479100000000 ] - [ 0.0002235700000000, 0.0001241400000000, 0.0002718500000000 ] - [ -0.0000053100000000, -0.0002277700000000, 0.0001319100000000 ] - [ -0.0000662300000000, 0.0003000300000000, -0.0000796900000000 ] - [ -0.0000987900000000, -0.0003433300000000, 0.0000565400000000 ] - [ -0.0000405000000000, -0.0004349800000000, -0.0001723900000000 ] - [ 0.0002619500000000, -0.0004461000000000, -0.0001438500000000 ] - [ 0.0003447300000000, -0.0000383100000000, -0.0000354400000000 ] - [ -0.0002834200000000, -0.0000708100000000, 0.0000755900000000 ] - [ -0.0004704600000000, 0.0000720100000000, -0.0000208300000000 ] - [ -0.0001908400000000, 0.0001057000000000, -0.0002470500000000 ] - [ 0.0003839300000000, -0.0003635700000000, 0.0001736700000000 ] - [ 0.0001942700000000, 0.0001499000000000, -0.0001621200000000 ] - [ 0.0000256300000000, 0.0001001600000000, -0.0000506900000000 ] - [ -0.0001284500000000, 0.0000842300000000, 0.0002874900000000 ] - [ 0.0000827700000000, -0.0004876400000000, -0.0002830000000000 ] - [ -0.0000724600000000, -0.0003250300000000, -0.0000658500000000 ]- atom: 37 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ -0.0015591300000000, -0.0013212600000000, -0.0015679100000000 ] - [ 0.0048590600000000, 0.0027934800000000, 0.0030360800000000 ] - [ -0.0002411600000000, -0.0000716700000000, -0.0001230000000000 ] - [ 0.0047310800000000, -0.0040016300000000, 0.0031187900000000 ] - [ 0.0164641400000000, -0.0003478400000000, -0.0110804000000000 ] - [ -0.0005976400000000, 0.0000187300000000, -0.0003976700000000 ] - [ 0.0002413800000000, 0.0004101800000000, 0.0001370500000000 ] - [ -0.0001293400000000, 0.0000989500000000, -0.0000741500000000 ] - [ 0.0013947900000000, -0.0005437100000000, 0.0006781400000000 ] - [ -0.0002421700000000, -0.0002938200000000, -0.0001305900000000 ] - [ -0.0001402000000000, 0.0000304300000000, -0.0000812700000000 ] - [ 0.0004903300000000, 0.0000177500000000, 0.0002833500000000 ] - [ 0.0016230100000000, 0.0021079400000000, 0.0026001100000000 ] - [ -0.0004700300000000, 0.0004760900000000, -0.0001859500000000 ] - [ -0.0021497600000000, 0.0006222900000000, -0.0016363700000000 ] - [ -0.0035577500000000, -0.0000735500000000, 0.0001936400000000 ] - [ 0.0002632400000000, -0.0001222300000000, -0.0001728400000000 ] - [ 0.0014963800000000, -0.0023459600000000, 0.0036210400000000 ] - [ -0.0007198900000000, 0.0002598900000000, -0.0000379200000000 ] - [ 0.0004879300000000, -0.0008369500000000, -0.0005226200000000 ] - [ 0.0004154900000000, -0.0000912300000000, 0.0001178500000000 ] - [ 0.0706207900000000, -0.0054747700000000, 0.0271166600000000 ] - [ -0.0021461400000000, -0.0001363100000000, -0.0018820200000000 ] - [ -0.0009005300000000, 0.0020684300000000, 0.0013141400000000 ] - [ -0.0005451500000000, 0.0001958200000000, -0.0000868900000000 ] - [ 0.0005589500000000, 0.0007177600000000, 0.0002253300000000 ] - [ 0.0004289700000000, 0.0000817700000000, 0.0000581100000000 ] - [ 0.0000030400000000, 0.0000683200000000, 0.0000038600000000 ] - [ 0.0001354700000000, -0.0005381500000000, -0.0000584500000000 ] - [ -0.0000559200000000, 0.0003093200000000, 0.0005190600000000 ] - [ 0.0016401800000000, 0.0027479100000000, -0.0004498900000000 ] - [ 0.0000328300000000, -0.0004357300000000, -0.0005476500000000 ] - [ 0.0001925000000000, -0.0005801300000000, 0.0002463600000000 ] - [ -0.0001004600000000, 0.0001208100000000, 0.0000043700000000 ] - [ 0.0000793800000000, 0.0004016300000000, -0.0004582000000000 ] - [ 0.0004006000000000, 0.0002333100000000, 0.0004211900000000 ] - [ -0.1253600000000000, 0.0055621500000000, -0.0279286500000000 ] - [ 0.0060288200000000, -0.0040867200000000, 0.0002959500000000 ] - [ -0.0000430100000000, 0.0004968600000000, 0.0001319300000000 ] - [ 0.0010121700000000, -0.0004176300000000, 0.0006204600000000 ] - [ 0.0005419800000000, 0.0004137900000000, -0.0000904700000000 ] - [ 0.0010008300000000, -0.0003329900000000, 0.0016888700000000 ] - [ -0.0022547300000000, -0.0000299500000000, -0.0028438400000000 ] - [ 0.0000249600000000, -0.0002480300000000, 0.0003523600000000 ] - [ -0.0000016500000000, 0.0010245500000000, 0.0000430100000000 ] - [ 0.0001058600000000, -0.0003552100000000, 0.0002519600000000 ] - [ 0.0004339000000000, -0.0007442200000000, -0.0000746900000000 ] - [ -0.0006964400000000, -0.0001369300000000, -0.0005384100000000 ] - [ 0.0009819400000000, -0.0007523000000000, 0.0024426600000000 ] - [ 0.0003893500000000, 0.0001754100000000, -0.0000995500000000 ] - [ -0.0021184300000000, -0.0000932300000000, -0.0035873500000000 ] - [ -0.0003633000000000, 0.0000777100000000, 0.0000328100000000 ] - [ 0.0071138500000000, 0.0043924600000000, 0.0012876000000000 ] - [ 0.0026505200000000, -0.0005576300000000, -0.0000097400000000 ] - [ 0.0006095100000000, -0.0001399700000000, 0.0000328700000000 ] - [ 0.0066192500000000, 0.0008413900000000, 0.0051763600000000 ] - [ 0.0074170300000000, 0.0048819700000000, 0.0005516400000000 ] - [ 0.0044034200000000, -0.0052605700000000, 0.0000158300000000 ] - [ 0.0000617500000000, -0.0000817400000000, -0.0002819600000000 ] - [ 0.0003900700000000, -0.0002214400000000, -0.0001385000000000 ] - [ -0.0001384300000000, 0.0002474500000000, 0.0001774700000000 ] - [ 0.0002439700000000, -0.0004827100000000, 0.0002354200000000 ] - [ -0.0000672800000000, 0.0005741100000000, 0.0001160400000000 ] - [ -0.0000609000000000, 0.0001102000000000, 0.0000174300000000 ] - [ 0.0000901000000000, 0.0000155000000000, -0.0003054300000000 ] - [ -0.0000219800000000, -0.0004250600000000, 0.0001717800000000 ] - [ -0.0001428200000000, -0.0001633600000000, -0.0002503100000000 ] - [ -0.0007464800000000, -0.0007891600000000, 0.0000641900000000 ] - [ 0.0001842700000000, 0.0002434100000000, 0.0002583700000000 ] - [ -0.0006147100000000, -0.0004384800000000, 0.0000106400000000 ] - [ 0.0001361300000000, -0.0004811500000000, -0.0000380200000000 ] - [ 0.0000474300000000, 0.0000507100000000, 0.0000821800000000 ] - [ 0.0000552700000000, -0.0004226700000000, -0.0001516600000000 ] - [ -0.0000851300000000, 0.0000773400000000, -0.0002412100000000 ] - [ 0.0005394600000000, -0.0000205300000000, 0.0000197200000000 ] - [ -0.0007758500000000, 0.0006057600000000, -0.0001575700000000 ] - [ -0.0003901500000000, 0.0000244700000000, 0.0000279100000000 ] - [ -0.0003899600000000, 0.0000916300000000, -0.0002957800000000 ] - [ -0.0009824400000000, -0.0004448800000000, -0.0006647000000000 ] - [ 0.0002667400000000, 0.0002080400000000, -0.0001430000000000 ] - [ 0.0000405000000000, 0.0001024600000000, -0.0000567100000000 ] - [ 0.0000001100000000, -0.0001643500000000, 0.0003292200000000 ] - [ 0.0013045100000000, 0.0009945300000000, -0.0005458700000000 ] - [ -0.0004442800000000, -0.0004868800000000, -0.0001926100000000 ]- atom: 37 displacement: [ -0.0099999882766160, 0.0000000000000000, -0.0000153123330198 ] forces: - [ 0.0015627400000000, 0.0021286700000000, 0.0015880500000000 ] - [ -0.0048342200000000, -0.0025691100000000, -0.0029602200000000 ] - [ 0.0002411800000000, -0.0000288900000000, 0.0001236500000000 ] - [ -0.0046982200000000, 0.0030779200000000, -0.0030344200000000 ] - [ -0.0158568500000000, 0.0002479000000000, 0.0104429100000000 ] - [ 0.0005976200000000, 0.0000891300000000, 0.0003981400000000 ] - [ -0.0002417300000000, 0.0003806800000000, -0.0001355200000000 ] - [ 0.0001291100000000, 0.0000056000000000, 0.0000734900000000 ] - [ -0.0013878400000000, 0.0004544000000000, -0.0006775800000000 ] - [ 0.0002426800000000, -0.0004972600000000, 0.0001297300000000 ] - [ 0.0001408700000000, -0.0001379400000000, 0.0000813700000000 ] - [ -0.0004882100000000, 0.0000923400000000, -0.0002800800000000 ] - [ -0.0024999200000000, -0.0020536500000000, -0.0027523400000000 ] - [ 0.0004874200000000, -0.0004929700000000, 0.0001853100000000 ] - [ 0.0029930800000000, -0.0005415000000000, 0.0017587800000000 ] - [ 0.0035661200000000, 0.0000901900000000, -0.0001782200000000 ] - [ -0.0002931900000000, 0.0000964700000000, 0.0001677100000000 ] - [ -0.0015109300000000, 0.0029394000000000, -0.0026177100000000 ] - [ -0.0001026800000000, -0.0003355600000000, -0.0000790700000000 ] - [ -0.0005266300000000, 0.0002575400000000, -0.0005196500000000 ] - [ 0.0004044200000000, 0.0000128800000000, -0.0000050000000000 ] - [ -0.0737875800000000, 0.0058211300000000, -0.0287568100000000 ] - [ 0.0021364800000000, 0.0006947500000000, 0.0008452600000000 ] - [ 0.0009330300000000, -0.0026277200000000, -0.0002676900000000 ] - [ -0.0002796800000000, -0.0001192700000000, -0.0000303800000000 ] - [ -0.0005532400000000, -0.0007391300000000, -0.0002270900000000 ] - [ 0.0003923900000000, -0.0000066400000000, 0.0000619800000000 ] - [ -0.0000172500000000, -0.0000511800000000, -0.0000057400000000 ] - [ -0.0001429400000000, 0.0005166700000000, 0.0000536800000000 ] - [ 0.0000789900000000, 0.0002514800000000, 0.0005177500000000 ] - [ -0.0025051000000000, -0.0028511200000000, 0.0003287900000000 ] - [ -0.0000522700000000, -0.0001259900000000, -0.0004876000000000 ] - [ 0.0006370800000000, 0.0005022300000000, -0.0001268300000000 ] - [ 0.0001128000000000, -0.0001023200000000, 0.0000026000000000 ] - [ -0.0001012700000000, 0.0001568700000000, -0.0005776300000000 ] - [ -0.0003833500000000, -0.0007975300000000, 0.0006151300000000 ] - [ 0.1275439100000000, -0.0053663400000000, 0.0303844900000000 ] - [ -0.0055623500000000, 0.0036406900000000, 0.0002154300000000 ] - [ 0.0000314000000000, 0.0002018700000000, 0.0001976800000000 ] - [ -0.0011148200000000, 0.0007211400000000, -0.0005220300000000 ] - [ -0.0003726500000000, -0.0003604400000000, -0.0005335300000000 ] - [ -0.0010138300000000, -0.0003592500000000, -0.0013543700000000 ] - [ 0.0018614900000000, -0.0003426100000000, 0.0023442600000000 ] - [ -0.0001988500000000, 0.0001888600000000, 0.0002636900000000 ] - [ 0.0004417900000000, -0.0006225900000000, 0.0004804600000000 ] - [ -0.0005549700000000, -0.0002061700000000, 0.0000544500000000 ] - [ -0.0003421800000000, 0.0004494900000000, -0.0000309100000000 ] - [ 0.0006191400000000, -0.0001356500000000, 0.0006449800000000 ] - [ -0.0009930600000000, 0.0000708600000000, -0.0028516800000000 ] - [ 0.0000669900000000, -0.0007412400000000, -0.0002057900000000 ] - [ 0.0030355700000000, 0.0001261300000000, 0.0035723000000000 ] - [ -0.0005211300000000, -0.0001429500000000, -0.0000134400000000 ] - [ -0.0079352800000000, -0.0042777500000000, -0.0012659700000000 ] - [ -0.0030761500000000, 0.0009622700000000, -0.0005103500000000 ] - [ 0.0002783700000000, 0.0000738500000000, -0.0000500200000000 ] - [ -0.0061582800000000, -0.0002796400000000, -0.0054369000000000 ] - [ -0.0074721400000000, -0.0046872300000000, -0.0006657000000000 ] - [ -0.0046728300000000, 0.0054356700000000, 0.0006153200000000 ] - [ 0.0001163400000000, 0.0000301100000000, -0.0003386300000000 ] - [ -0.0003782000000000, 0.0009141300000000, -0.0001888700000000 ] - [ -0.0003134700000000, 0.0003121800000000, 0.0001292600000000 ] - [ 0.0001819500000000, 0.0000788800000000, 0.0002839200000000 ] - [ 0.0000519200000000, 0.0001195200000000, 0.0002106300000000 ] - [ -0.0000342800000000, 0.0001878900000000, 0.0000856700000000 ] - [ 0.0000850300000000, 0.0000438300000000, -0.0003140700000000 ] - [ 0.0000082700000000, -0.0002677900000000, 0.0001564300000000 ] - [ -0.0002844300000000, -0.0002425400000000, -0.0002695400000000 ] - [ 0.0005838800000000, 0.0007369900000000, 0.0005590600000000 ] - [ 0.0002400300000000, 0.0001654800000000, 0.0002575200000000 ] - [ 0.0001668800000000, -0.0001251200000000, 0.0002966600000000 ] - [ -0.0000393700000000, 0.0001836500000000, -0.0000666100000000 ] - [ -0.0001430900000000, -0.0003484500000000, 0.0000222000000000 ] - [ -0.0000388400000000, -0.0002701300000000, -0.0001766700000000 ] - [ 0.0005318100000000, -0.0006368600000000, -0.0000656800000000 ] - [ 0.0003417300000000, 0.0000862900000000, -0.0000412300000000 ] - [ -0.0001154700000000, -0.0006753100000000, 0.0001748900000000 ] - [ -0.0004953300000000, 0.0000407700000000, -0.0000084600000000 ] - [ -0.0000306700000000, 0.0003156400000000, -0.0002211500000000 ] - [ 0.0018789900000000, 0.0003571100000000, 0.0006502300000000 ] - [ 0.0001834300000000, 0.0003516000000000, -0.0001641900000000 ] - [ 0.0000563000000000, 0.0001969200000000, -0.0000442400000000 ] - [ -0.0001750100000000, 0.0002170000000000, 0.0002940400000000 ] - [ -0.0011265200000000, -0.0010449900000000, -0.0000747700000000 ] - [ 0.0004650500000000, 0.0011857700000000, -0.0001334700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003266200000000, 0.0004779800000000, -0.0005174100000000 ] - [ 0.0021231600000000, 0.0150077000000000, 0.0074378600000000 ] - [ -0.0001413700000000, -0.0006355400000000, -0.0000991400000000 ] - [ -0.0034092200000000, 0.0154642100000000, -0.0086629000000000 ] - [ 0.0002914600000000, 0.0031578800000000, -0.0010479900000000 ] - [ -0.0002438500000000, -0.0003345900000000, 0.0000501400000000 ] - [ -0.0001509100000000, -0.0004832100000000, -0.0000259600000000 ] - [ -0.0000629500000000, -0.0006118400000000, 0.0000000800000000 ] - [ -0.0012796800000000, -0.0007775500000000, 0.0000737100000000 ] - [ 0.0000865700000000, -0.0011614700000000, 0.0000191900000000 ] - [ 0.0000093300000000, -0.0007878000000000, 0.0000053800000000 ] - [ -0.0006869300000000, -0.0010674400000000, -0.0007112700000000 ] - [ 0.0017810700000000, 0.0009457100000000, -0.0009306100000000 ] - [ 0.0000361200000000, -0.0004936500000000, 0.0000986600000000 ] - [ -0.0008263400000000, 0.0012572300000000, -0.0005823800000000 ] - [ 0.0002970300000000, 0.0010417600000000, 0.0000422100000000 ] - [ -0.0017309500000000, -0.0015993700000000, 0.0005833600000000 ] - [ -0.0023201200000000, 0.0028380800000000, 0.0010959000000000 ] - [ -0.0004596700000000, -0.0006739200000000, -0.0000715700000000 ] - [ -0.0006877100000000, -0.0017975400000000, -0.0023450500000000 ] - [ 0.0001510600000000, -0.0009845100000000, -0.0002613500000000 ] - [ -0.0048674000000000, 0.0088989500000000, -0.0018798100000000 ] - [ 0.0010707200000000, 0.0018642900000000, 0.0001053900000000 ] - [ -0.0000347500000000, -0.0006777700000000, 0.0004887500000000 ] - [ -0.0004320800000000, -0.0006228000000000, -0.0000331500000000 ] - [ 0.0002042500000000, -0.0007769700000000, -0.0001610800000000 ] - [ 0.0000843800000000, -0.0010116900000000, 0.0001757600000000 ] - [ -0.0001138400000000, -0.0008493500000000, -0.0000325500000000 ] - [ -0.0003204900000000, -0.0003398600000000, -0.0001423200000000 ] - [ 0.0001613100000000, -0.0004880600000000, 0.0006269200000000 ] - [ 0.0008390500000000, -0.0014451000000000, 0.0007520700000000 ] - [ -0.0000000700000000, -0.0008573900000000, -0.0003265800000000 ] - [ -0.0003176100000000, 0.0002840300000000, 0.0002586700000000 ] - [ 0.0000471200000000, -0.0006761200000000, 0.0000043200000000 ] - [ -0.0001844100000000, -0.0007586200000000, -0.0007038800000000 ] - [ -0.0000902000000000, -0.0012843200000000, 0.0005266600000000 ] - [ 0.0048339300000000, -0.0530442800000000, 0.0046859400000000 ] - [ -0.0026088300000000, 0.0000180800000000, 0.0000014100000000 ] - [ 0.0002827300000000, 0.0010497200000000, 0.0003642600000000 ] - [ 0.0000483900000000, -0.0006846100000000, -0.0000879400000000 ] - [ 0.0002185700000000, -0.0007577100000000, -0.0000831700000000 ] - [ 0.0000123100000000, -0.0017132500000000, 0.0000335700000000 ] - [ 0.0008504700000000, 0.0020648500000000, 0.0009773900000000 ] - [ -0.0000932100000000, 0.0004661100000000, 0.0003306100000000 ] - [ 0.0008943500000000, -0.0000257200000000, 0.0005286700000000 ] - [ -0.0001476500000000, -0.0001429700000000, 0.0001832300000000 ] - [ -0.0001600100000000, 0.0001115800000000, -0.0002279700000000 ] - [ 0.0020586200000000, 0.0044603200000000, 0.0002310700000000 ] - [ -0.0005054200000000, -0.0033513100000000, -0.0011600300000000 ] - [ 0.0006761400000000, -0.0000060200000000, -0.0001081700000000 ] - [ 0.0005999200000000, 0.0016243100000000, 0.0003368500000000 ] - [ -0.0002815100000000, 0.0003781200000000, 0.0000811100000000 ] - [ 0.0035258400000000, -0.0001271000000000, 0.0006791100000000 ] - [ -0.0004997900000000, 0.0001699100000000, -0.0003173000000000 ] - [ 0.0005060700000000, 0.0003379200000000, 0.0000247100000000 ] - [ -0.0003398600000000, -0.0015198700000000, -0.0004861700000000 ] - [ 0.0042373800000000, 0.0004218800000000, -0.0006994300000000 ] - [ -0.0049391200000000, 0.0021941900000000, 0.0008031800000000 ] - [ 0.0004210900000000, 0.0014315100000000, -0.0003077700000000 ] - [ 0.0000403300000000, 0.0007197500000000, -0.0001654300000000 ] - [ -0.0002526500000000, 0.0007374300000000, 0.0001337700000000 ] - [ 0.0001194200000000, 0.0004375600000000, 0.0003478100000000 ] - [ 0.0001595300000000, 0.0005864500000000, 0.0002014200000000 ] - [ -0.0002593100000000, 0.0007708000000000, 0.0001013400000000 ] - [ 0.0001891800000000, 0.0007621400000000, -0.0002748200000000 ] - [ 0.0000733900000000, 0.0005964800000000, 0.0001643600000000 ] - [ -0.0001665900000000, 0.0002489700000000, -0.0003343500000000 ] - [ -0.0003250500000000, 0.0002028200000000, 0.0001654800000000 ] - [ 0.0003619300000000, 0.0007413400000000, 0.0001966700000000 ] - [ -0.0000599500000000, 0.0004000000000000, 0.0002339500000000 ] - [ -0.0001830400000000, 0.0003811300000000, -0.0000063100000000 ] - [ 0.0001093900000000, 0.0002293100000000, -0.0000201800000000 ] - [ -0.0000121900000000, 0.0002343400000000, -0.0001722800000000 ] - [ 0.0005781000000000, 0.0000846400000000, -0.0000811700000000 ] - [ 0.0004835700000000, 0.0004509000000000, 0.0000013100000000 ] - [ 0.0001692100000000, -0.0000041000000000, 0.0002421400000000 ] - [ -0.0003222600000000, 0.0005619900000000, 0.0000271500000000 ] - [ -0.0003773100000000, 0.0011219600000000, -0.0001411400000000 ] - [ 0.0007242700000000, 0.0040747400000000, -0.0000135300000000 ] - [ 0.0002927800000000, 0.0007964200000000, -0.0001191500000000 ] - [ 0.0002253700000000, 0.0006762400000000, -0.0000817900000000 ] - [ -0.0000991500000000, 0.0006027800000000, 0.0003054600000000 ] - [ 0.0005623300000000, 0.0000937100000000, -0.0001515500000000 ] - [ -0.0001172000000000, 0.0010951700000000, -0.0001523300000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003246700000000, 0.0003170800000000, 0.0005152000000000 ] - [ -0.0018584700000000, -0.0144615200000000, -0.0070110700000000 ] - [ 0.0001406400000000, 0.0005301600000000, 0.0000996500000000 ] - [ 0.0037176700000000, -0.0167098800000000, 0.0091277500000000 ] - [ -0.0003739600000000, -0.0033022100000000, 0.0011661300000000 ] - [ 0.0002446200000000, 0.0004583000000000, -0.0000498400000000 ] - [ 0.0001485500000000, 0.0012854800000000, 0.0000258200000000 ] - [ 0.0000630900000000, 0.0007169200000000, -0.0000010500000000 ] - [ 0.0012763200000000, 0.0006835000000000, -0.0000722500000000 ] - [ -0.0000880100000000, 0.0003622900000000, -0.0000194300000000 ] - [ -0.0000091600000000, 0.0006616900000000, -0.0000060600000000 ] - [ 0.0006826500000000, 0.0011963200000000, 0.0007070900000000 ] - [ -0.0026168400000000, -0.0008488100000000, 0.0007990700000000 ] - [ -0.0000388400000000, 0.0004649000000000, -0.0001060000000000 ] - [ 0.0016794100000000, -0.0011799300000000, 0.0007218900000000 ] - [ -0.0003074000000000, -0.0010144900000000, -0.0000339600000000 ] - [ 0.0017487500000000, 0.0015707200000000, -0.0005876900000000 ] - [ 0.0023450500000000, -0.0022830900000000, -0.0000617500000000 ] - [ -0.0003837300000000, 0.0005938600000000, -0.0000600500000000 ] - [ 0.0006740800000000, 0.0012190100000000, 0.0013260600000000 ] - [ 0.0006908200000000, 0.0009054000000000, 0.0003899800000000 ] - [ 0.0051773600000000, -0.0089284100000000, 0.0020789600000000 ] - [ -0.0010894800000000, -0.0012933100000000, -0.0011374000000000 ] - [ 0.0000483300000000, 0.0001040300000000, 0.0005416500000000 ] - [ -0.0004189100000000, 0.0007041900000000, -0.0000999800000000 ] - [ -0.0002045900000000, 0.0007516000000000, 0.0001542000000000 ] - [ 0.0007653200000000, 0.0010943900000000, -0.0000441000000000 ] - [ 0.0001166200000000, 0.0008778600000000, 0.0000404200000000 ] - [ 0.0003250300000000, 0.0003143600000000, 0.0001456100000000 ] - [ -0.0001457200000000, 0.0010624000000000, 0.0004032100000000 ] - [ -0.0016737900000000, 0.0013691400000000, -0.0008809800000000 ] - [ -0.0000154900000000, 0.0002844800000000, -0.0007028700000000 ] - [ 0.0011620200000000, -0.0003619400000000, -0.0001324800000000 ] - [ -0.0000505200000000, 0.0007061500000000, -0.0000053100000000 ] - [ 0.0001725900000000, 0.0013300400000000, -0.0003265400000000 ] - [ 0.0001081300000000, 0.0007139900000000, 0.0005045400000000 ] - [ -0.0060641600000000, 0.0536591000000000, -0.0056372700000000 ] - [ 0.0030349500000000, -0.0004247800000000, 0.0005176800000000 ] - [ -0.0002854000000000, -0.0003515400000000, -0.0000242000000000 ] - [ -0.0001289200000000, 0.0009630200000000, 0.0001894300000000 ] - [ -0.0000086000000000, 0.0008157000000000, -0.0005335500000000 ] - [ -0.0000058700000000, 0.0010186800000000, 0.0003193700000000 ] - [ -0.0012721600000000, -0.0024681400000000, -0.0015077800000000 ] - [ -0.0001151100000000, -0.0005161500000000, 0.0002823500000000 ] - [ -0.0004782500000000, 0.0004343600000000, -0.0000109700000000 ] - [ -0.0002828900000000, -0.0004041600000000, 0.0001316300000000 ] - [ 0.0002473900000000, -0.0003921200000000, 0.0001261400000000 ] - [ -0.0021626500000000, -0.0047990700000000, -0.0001277800000000 ] - [ 0.0005257900000000, 0.0026406400000000, 0.0008597500000000 ] - [ -0.0002510300000000, -0.0005395700000000, -0.0002083500000000 ] - [ 0.0003227600000000, -0.0015615200000000, -0.0003464400000000 ] - [ -0.0006246900000000, -0.0004354800000000, -0.0000735800000000 ] - [ -0.0044465400000000, 0.0001863700000000, -0.0006774800000000 ] - [ 0.0000870300000000, 0.0002361200000000, -0.0002001800000000 ] - [ 0.0004072800000000, -0.0003963400000000, -0.0000294800000000 ] - [ 0.0007716200000000, 0.0020721700000000, 0.0001712400000000 ] - [ -0.0041541700000000, -0.0001361400000000, 0.0006006900000000 ] - [ 0.0046953300000000, -0.0021215200000000, -0.0001796500000000 ] - [ -0.0002145800000000, -0.0014915400000000, -0.0003087000000000 ] - [ -0.0000410500000000, -0.0000198500000000, -0.0001712700000000 ] - [ -0.0001751300000000, -0.0001908800000000, 0.0001846700000000 ] - [ 0.0002947000000000, -0.0008455800000000, 0.0001689200000000 ] - [ -0.0001565900000000, 0.0001122300000000, 0.0001351600000000 ] - [ 0.0001738800000000, -0.0004920000000000, 0.0000027400000000 ] - [ 0.0000149100000000, -0.0007033200000000, -0.0003319200000000 ] - [ -0.0000658400000000, -0.0012981700000000, 0.0001716200000000 ] - [ -0.0002478300000000, -0.0006535800000000, -0.0001847300000000 ] - [ 0.0001125900000000, -0.0002645000000000, 0.0004451300000000 ] - [ 0.0000536000000000, -0.0003382000000000, 0.0003207000000000 ] - [ -0.0003656900000000, -0.0009483200000000, 0.0000837400000000 ] - [ 0.0002669800000000, -0.0006609900000000, -0.0000929500000000 ] - [ -0.0001958000000000, -0.0005113400000000, 0.0001239800000000 ] - [ 0.0000037300000000, -0.0009365300000000, -0.0001662200000000 ] - [ -0.0001474300000000, -0.0006335800000000, -0.0002340300000000 ] - [ 0.0004388700000000, -0.0003914900000000, -0.0000054400000000 ] - [ -0.0010872800000000, -0.0000598400000000, -0.0002372000000000 ] - [ -0.0006022200000000, -0.0005016800000000, -0.0000236600000000 ] - [ -0.0000406100000000, -0.0007195200000000, -0.0003781500000000 ] - [ 0.0001919800000000, -0.0040823800000000, 0.0000104200000000 ] - [ 0.0001362200000000, -0.0002501400000000, -0.0001984800000000 ] - [ -0.0001405100000000, -0.0003974000000000, -0.0000188900000000 ] - [ -0.0001081100000000, -0.0005455200000000, 0.0003022100000000 ] - [ -0.0003587000000000, -0.0001527100000000, -0.0004583900000000 ] - [ 0.0001114000000000, -0.0003974600000000, -0.0001892200000000 ]- atom: 37 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ 0.0000577400000000, 0.0007997300000000, 0.0004363000000000 ] - [ 0.0021585600000000, 0.0058197200000000, 0.0040408100000000 ] - [ 0.0000199600000000, -0.0000240800000000, 0.0000249400000000 ] - [ 0.0029850100000000, -0.0079844500000000, 0.0049350500000000 ] - [ -0.0154716300000000, -0.0005070700000000, 0.0160105000000000 ] - [ 0.0000015100000000, 0.0000712800000000, -0.0000394600000000 ] - [ -0.0000157800000000, 0.0004263500000000, 0.0000000400000000 ] - [ 0.0000053100000000, 0.0000692600000000, -0.0000029400000000 ] - [ -0.0003254100000000, -0.0001537500000000, 0.0000193900000000 ] - [ 0.0000119400000000, -0.0003751300000000, -0.0000079200000000 ] - [ 0.0000122700000000, -0.0000480300000000, 0.0000105400000000 ] - [ -0.0000257700000000, 0.0000777900000000, -0.0000165100000000 ] - [ 0.0002855600000000, 0.0008662300000000, -0.0013656300000000 ] - [ 0.0000073100000000, -0.0000225600000000, 0.0000116100000000 ] - [ 0.0008959300000000, -0.0003069400000000, 0.0002593900000000 ] - [ -0.0006370400000000, -0.0000911600000000, 0.0000184400000000 ] - [ 0.0000272100000000, 0.0000624200000000, -0.0000151600000000 ] - [ 0.0007999400000000, -0.0006601400000000, -0.0012407800000000 ] - [ -0.0003860500000000, -0.0000292000000000, -0.0000624300000000 ] - [ 0.0000078400000000, 0.0001098900000000, 0.0002305400000000 ] - [ 0.0004085900000000, 0.0000004000000000, 0.0000695200000000 ] - [ 0.0034026400000000, -0.0005107000000000, 0.0077680000000000 ] - [ 0.0003404000000000, 0.0003902000000000, -0.0004115800000000 ] - [ 0.0002126600000000, -0.0004653600000000, 0.0003507900000000 ] - [ -0.0004125400000000, 0.0000540700000000, -0.0000588200000000 ] - [ 0.0000428700000000, 0.0000710300000000, -0.0001252800000000 ] - [ 0.0004152100000000, 0.0000633200000000, 0.0000606800000000 ] - [ 0.0000003500000000, 0.0000226600000000, 0.0000010200000000 ] - [ -0.0000074100000000, 0.0000544200000000, -0.0000044600000000 ] - [ 0.0000129200000000, 0.0002991000000000, 0.0005137700000000 ] - [ -0.0008636400000000, -0.0003092500000000, 0.0002009600000000 ] - [ -0.0000173500000000, -0.0002460800000000, -0.0005142800000000 ] - [ 0.0004908600000000, -0.0000493800000000, 0.0000512000000000 ] - [ 0.0000103700000000, 0.0000214900000000, 0.0000059000000000 ] - [ -0.0000235900000000, 0.0002918300000000, -0.0005210000000000 ] - [ -0.0000441300000000, -0.0003155100000000, 0.0005938500000000 ] - [ 0.0120165800000000, 0.0034180900000000, -0.0493988200000000 ] - [ -0.0009230300000000, 0.0003679800000000, -0.0001506100000000 ] - [ -0.0000555100000000, 0.0003488400000000, 0.0001770500000000 ] - [ 0.0001024800000000, 0.0001253600000000, -0.0001856600000000 ] - [ 0.0001880500000000, 0.0001883300000000, -0.0004584500000000 ] - [ 0.0000731000000000, -0.0002505100000000, 0.0006634000000000 ] - [ -0.0026284800000000, 0.0001076400000000, 0.0060859300000000 ] - [ -0.0000764100000000, -0.0000376100000000, 0.0003049800000000 ] - [ 0.0002011200000000, 0.0003235600000000, 0.0001808800000000 ] - [ -0.0002547800000000, -0.0002766200000000, 0.0001422900000000 ] - [ 0.0000520900000000, -0.0001396100000000, -0.0000418300000000 ] - [ -0.0003061900000000, -0.0004659700000000, 0.0003033900000000 ] - [ 0.0024396500000000, -0.0008147100000000, 0.0038801100000000 ] - [ 0.0002372100000000, -0.0003754400000000, -0.0001340800000000 ] - [ -0.0018829700000000, 0.0000285200000000, 0.0081935700000000 ] - [ -0.0004615600000000, -0.0000239800000000, -0.0000007000000000 ] - [ -0.0020347100000000, -0.0006942300000000, -0.0010029400000000 ] - [ -0.0007027900000000, 0.0002292200000000, -0.0002925100000000 ] - [ 0.0004398200000000, -0.0000350900000000, -0.0000034300000000 ] - [ 0.0032146500000000, 0.0004076400000000, 0.0021600500000000 ] - [ -0.0021987500000000, -0.0018457400000000, -0.0011915600000000 ] - [ -0.0014697900000000, 0.0020255200000000, -0.0002909000000000 ] - [ 0.0000821200000000, -0.0000293100000000, -0.0003124400000000 ] - [ -0.0000379400000000, 0.0003765500000000, -0.0001438100000000 ] - [ -0.0002474000000000, 0.0002603700000000, 0.0001457500000000 ] - [ 0.0002248900000000, -0.0001798800000000, 0.0002575700000000 ] - [ -0.0000422100000000, 0.0003209300000000, 0.0001670000000000 ] - [ -0.0000558400000000, 0.0001422700000000, 0.0000451900000000 ] - [ 0.0000798300000000, 0.0000060400000000, -0.0003188900000000 ] - [ -0.0000181700000000, -0.0003587100000000, 0.0001554600000000 ] - [ -0.0002306600000000, -0.0002216200000000, -0.0002592500000000 ] - [ -0.0000709500000000, -0.0002200000000000, 0.0002684200000000 ] - [ 0.0002225300000000, 0.0001896600000000, 0.0002638300000000 ] - [ -0.0002503800000000, -0.0002926400000000, 0.0001563400000000 ] - [ 0.0000775000000000, -0.0002105600000000, -0.0000387100000000 ] - [ -0.0000769200000000, -0.0001842400000000, 0.0000402800000000 ] - [ 0.0000193600000000, -0.0003654200000000, -0.0001577100000000 ] - [ 0.0002544500000000, -0.0003174800000000, -0.0001358200000000 ] - [ 0.0004343300000000, 0.0000174800000000, -0.0000086400000000 ] - [ -0.0004972100000000, -0.0000269500000000, -0.0000591700000000 ] - [ -0.0004445300000000, 0.0000132100000000, 0.0000046700000000 ] - [ -0.0001961200000000, 0.0001948100000000, -0.0002715000000000 ] - [ 0.0003036000000000, 0.0000232600000000, 0.0003226600000000 ] - [ 0.0002333000000000, 0.0002590300000000, -0.0001499700000000 ] - [ 0.0000592100000000, 0.0001460000000000, -0.0000380600000000 ] - [ -0.0000858000000000, 0.0000144000000000, 0.0003160300000000 ] - [ -0.0001738600000000, -0.0001470600000000, -0.0002520300000000 ] - [ 0.0000844800000000, 0.0005062200000000, -0.0001643900000000 ]- atom: 37 displacement: [ 0.0032041063292312, 0.0000000000000000, -0.0094727874794582 ] forces: - [ -0.0000546800000000, -0.0000031800000000, -0.0004394300000000 ] - [ -0.0020702300000000, -0.0056314200000000, -0.0040506300000000 ] - [ -0.0000182200000000, -0.0000791200000000, -0.0000209800000000 ] - [ -0.0028836500000000, 0.0070871800000000, -0.0049655800000000 ] - [ 0.0163441200000000, 0.0004024200000000, -0.0166183800000000 ] - [ 0.0000016200000000, 0.0000493600000000, 0.0000397100000000 ] - [ 0.0000159400000000, 0.0003761400000000, 0.0000014000000000 ] - [ -0.0000033800000000, 0.0000367900000000, 0.0000009500000000 ] - [ 0.0003214700000000, 0.0000466200000000, -0.0000236200000000 ] - [ -0.0000109500000000, -0.0004247000000000, 0.0000076800000000 ] - [ -0.0000095400000000, -0.0000729300000000, -0.0000095900000000 ] - [ 0.0000268900000000, 0.0000468100000000, 0.0000186800000000 ] - [ -0.0011015700000000, -0.0007945900000000, 0.0012632800000000 ] - [ 0.0000026500000000, 0.0000050600000000, -0.0000106600000000 ] - [ -0.0000823500000000, 0.0003818400000000, -0.0001438400000000 ] - [ 0.0006332300000000, 0.0001073700000000, -0.0000220200000000 ] - [ -0.0000380500000000, -0.0000754700000000, 0.0000090800000000 ] - [ -0.0007584400000000, 0.0012199300000000, 0.0022916000000000 ] - [ -0.0004258900000000, -0.0000475500000000, -0.0000528800000000 ] - [ -0.0000258300000000, -0.0006522700000000, -0.0012693000000000 ] - [ 0.0004089500000000, -0.0000687900000000, 0.0000380300000000 ] - [ -0.0030494500000000, 0.0005021300000000, -0.0076080700000000 ] - [ -0.0003684500000000, 0.0001654000000000, -0.0006275600000000 ] - [ -0.0001873100000000, -0.0000918000000000, 0.0006850300000000 ] - [ -0.0004099500000000, 0.0000243700000000, -0.0000601000000000 ] - [ -0.0000318600000000, -0.0000885100000000, 0.0001290200000000 ] - [ 0.0003950900000000, 0.0000170100000000, 0.0000534200000000 ] - [ -0.0000119400000000, -0.0000053700000000, -0.0000024900000000 ] - [ -0.0000031900000000, -0.0000691300000000, -0.0000047200000000 ] - [ 0.0000150900000000, 0.0002574400000000, 0.0005218700000000 ] - [ 0.0000455700000000, 0.0002367900000000, -0.0003251000000000 ] - [ -0.0000097900000000, -0.0003098400000000, -0.0005219200000000 ] - [ 0.0003279400000000, -0.0000228500000000, 0.0000589500000000 ] - [ -0.0000003800000000, -0.0000020800000000, 0.0000035000000000 ] - [ -0.0000031500000000, 0.0002649100000000, -0.0005169800000000 ] - [ 0.0000713800000000, -0.0002382400000000, 0.0004434300000000 ] - [ -0.0139209500000000, -0.0028714300000000, 0.0502390200000000 ] - [ 0.0013455500000000, -0.0007773500000000, 0.0006685600000000 ] - [ 0.0000389700000000, 0.0003315200000000, 0.0001452300000000 ] - [ -0.0002146200000000, 0.0001889800000000, 0.0002921200000000 ] - [ -0.0000098700000000, -0.0001325900000000, -0.0001419900000000 ] - [ -0.0000751600000000, -0.0004439700000000, -0.0003497900000000 ] - [ 0.0021944100000000, -0.0006034300000000, -0.0066265700000000 ] - [ -0.0001046000000000, -0.0000075800000000, 0.0002963200000000 ] - [ 0.0002186000000000, 0.0000744800000000, 0.0003433600000000 ] - [ -0.0002122900000000, -0.0002686200000000, 0.0001593300000000 ] - [ 0.0000637400000000, -0.0001781900000000, -0.0000601800000000 ] - [ 0.0001918700000000, 0.0001598400000000, -0.0001970300000000 ] - [ -0.0024531700000000, 0.0001344900000000, -0.0042392600000000 ] - [ 0.0002245800000000, -0.0001695600000000, -0.0001687000000000 ] - [ 0.0027910300000000, 0.0001129300000000, -0.0081991100000000 ] - [ -0.0004402900000000, -0.0000331000000000, 0.0000066900000000 ] - [ 0.0011177400000000, 0.0007434300000000, 0.0010069400000000 ] - [ 0.0002817400000000, 0.0001735100000000, -0.0002278400000000 ] - [ 0.0004757400000000, -0.0000197900000000, 0.0000026700000000 ] - [ -0.0027505000000000, 0.0001387500000000, -0.0024399900000000 ] - [ 0.0023388400000000, 0.0021677100000000, 0.0010761700000000 ] - [ 0.0013050300000000, -0.0019909300000000, 0.0009008400000000 ] - [ 0.0001059500000000, -0.0000105000000000, -0.0003094100000000 ] - [ 0.0000443400000000, 0.0003273700000000, -0.0001689800000000 ] - [ -0.0002172100000000, 0.0002831300000000, 0.0001572300000000 ] - [ 0.0002027600000000, -0.0002326000000000, 0.0002604800000000 ] - [ 0.0000241800000000, 0.0003665400000000, 0.0001554400000000 ] - [ -0.0000567600000000, 0.0001717800000000, 0.0000579300000000 ] - [ 0.0000994600000000, 0.0000421500000000, -0.0002822100000000 ] - [ 0.0000137400000000, -0.0003408800000000, 0.0001569400000000 ] - [ -0.0001913000000000, -0.0001913100000000, -0.0002553100000000 ] - [ -0.0001147200000000, 0.0001743500000000, 0.0003420600000000 ] - [ 0.0002056900000000, 0.0002132600000000, 0.0002595600000000 ] - [ -0.0002109600000000, -0.0002487700000000, 0.0001482700000000 ] - [ 0.0000344200000000, -0.0001009500000000, -0.0000593400000000 ] - [ -0.0000362900000000, -0.0001289400000000, 0.0000582400000000 ] - [ -0.0000104900000000, -0.0003219500000000, -0.0001600700000000 ] - [ 0.0002101300000000, -0.0002281300000000, -0.0001664400000000 ] - [ 0.0004632400000000, 0.0000386900000000, -0.0000006100000000 ] - [ -0.0003910300000000, -0.0000305100000000, 0.0000711200000000 ] - [ -0.0004637900000000, 0.0000425400000000, -0.0000000100000000 ] - [ -0.0002312600000000, 0.0002101800000000, -0.0002490400000000 ] - [ 0.0005968000000000, -0.0000865500000000, -0.0003266800000000 ] - [ 0.0002311300000000, 0.0002848100000000, -0.0001528700000000 ] - [ 0.0000528800000000, 0.0001652700000000, -0.0000675200000000 ] - [ -0.0001029000000000, 0.0000231300000000, 0.0003018200000000 ] - [ 0.0003599600000000, 0.0001094800000000, -0.0003735900000000 ] - [ -0.0000760700000000, 0.0001895600000000, -0.0001556200000000 ]- atom: 38 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ -0.0031876900000000, 0.0006949800000000, 0.0012403200000000 ] - [ 0.0003490400000000, 0.0007871100000000, 0.0003962900000000 ] - [ -0.0002873400000000, 0.0002744900000000, -0.0001035900000000 ] - [ 0.0076287300000000, 0.0002542500000000, -0.0045452400000000 ] - [ 0.0008109100000000, 0.0006740800000000, 0.0003884100000000 ] - [ -0.0014491400000000, 0.0022811900000000, -0.0020478900000000 ] - [ 0.0000572400000000, 0.0005034800000000, 0.0000224400000000 ] - [ -0.0001768100000000, 0.0002543300000000, -0.0001350500000000 ] - [ 0.0000042800000000, 0.0004021300000000, -0.0001368100000000 ] - [ -0.0000970900000000, -0.0003247600000000, -0.0000684100000000 ] - [ -0.0000808300000000, 0.0000621900000000, -0.0000362900000000 ] - [ 0.0000882500000000, 0.0002415700000000, 0.0000599500000000 ] - [ -0.0010419700000000, 0.0000934500000000, -0.0000941900000000 ] - [ 0.0008691700000000, 0.0000368100000000, -0.0000038700000000 ] - [ 0.0034594300000000, -0.0018988600000000, 0.0000348300000000 ] - [ 0.0034595900000000, -0.0018617200000000, 0.0030093100000000 ] - [ -0.0019581400000000, -0.0019382400000000, 0.0002841800000000 ] - [ -0.0023875500000000, 0.0004925200000000, -0.0002971200000000 ] - [ 0.0000367000000000, 0.0001076300000000, -0.0000778400000000 ] - [ -0.0015128600000000, -0.0012773200000000, -0.0016709300000000 ] - [ -0.0001431900000000, -0.0003976600000000, -0.0000425200000000 ] - [ -0.0028792000000000, -0.0007780900000000, -0.0013311500000000 ] - [ 0.0526582200000000, 0.0057038600000000, 0.0190990900000000 ] - [ 0.0209693800000000, -0.0201493700000000, -0.0070195200000000 ] - [ -0.0002651600000000, 0.0001346600000000, -0.0000340500000000 ] - [ -0.0000357800000000, 0.0001463500000000, -0.0000007500000000 ] - [ 0.0000890400000000, -0.0000614600000000, 0.0000619700000000 ] - [ -0.0001298500000000, -0.0000012500000000, -0.0000275700000000 ] - [ 0.0004119200000000, -0.0002432300000000, -0.0000413900000000 ] - [ 0.0000437700000000, 0.0003737500000000, 0.0005296400000000 ] - [ -0.0005796800000000, 0.0001435300000000, -0.0001238100000000 ] - [ 0.0001068600000000, -0.0003075800000000, -0.0004925200000000 ] - [ 0.0010994800000000, -0.0004296800000000, 0.0002709500000000 ] - [ 0.0000719400000000, 0.0001240500000000, 0.0000232300000000 ] - [ -0.0000761700000000, 0.0003353400000000, -0.0004934800000000 ] - [ 0.0000044500000000, -0.0001444200000000, 0.0005003600000000 ] - [ 0.0055371300000000, -0.0025443300000000, 0.0009005500000000 ] - [ -0.1089959000000000, 0.0185618000000000, -0.0066601000000000 ] - [ 0.0004425700000000, 0.0008975500000000, 0.0003838400000000 ] - [ 0.0010590700000000, 0.0014994400000000, 0.0025684900000000 ] - [ -0.0006349800000000, 0.0006056600000000, -0.0006819700000000 ] - [ 0.0034981500000000, 0.0048488300000000, -0.0001579700000000 ] - [ 0.0033876500000000, 0.0000929200000000, 0.0017448100000000 ] - [ -0.0002319900000000, -0.0000425600000000, 0.0002676900000000 ] - [ 0.0019519000000000, 0.0005775900000000, 0.0007332800000000 ] - [ -0.0004596400000000, -0.0009480100000000, 0.0000542900000000 ] - [ -0.0012591200000000, -0.0000866000000000, -0.0035329200000000 ] - [ 0.0034240700000000, 0.0036690500000000, -0.0000658300000000 ] - [ 0.0003685600000000, -0.0003852900000000, 0.0001211500000000 ] - [ 0.0030914800000000, -0.0005552600000000, 0.0003071700000000 ] - [ 0.0006593400000000, -0.0004410100000000, 0.0000256800000000 ] - [ -0.0001063900000000, -0.0001004300000000, 0.0000976400000000 ] - [ -0.0015554500000000, -0.0015063700000000, -0.0004352300000000 ] - [ 0.0139254700000000, -0.0073854200000000, 0.0004994900000000 ] - [ 0.0003737200000000, -0.0006714600000000, -0.0000198800000000 ] - [ -0.0018334300000000, -0.0008110400000000, -0.0033403000000000 ] - [ 0.0014541600000000, 0.0010634500000000, 0.0012513400000000 ] - [ 0.0008513900000000, -0.0004101600000000, 0.0002344400000000 ] - [ 0.0005896500000000, 0.0003195500000000, -0.0002747200000000 ] - [ -0.0008783800000000, 0.0005008100000000, -0.0009848900000000 ] - [ -0.0002021900000000, 0.0001758000000000, 0.0001606200000000 ] - [ 0.0002904500000000, -0.0002953500000000, 0.0002587500000000 ] - [ -0.0001520900000000, 0.0004857800000000, 0.0001410800000000 ] - [ -0.0000294800000000, 0.0001239800000000, 0.0000350200000000 ] - [ 0.0002285800000000, 0.0001241400000000, -0.0002745100000000 ] - [ 0.0000734000000000, -0.0002965400000000, 0.0001764700000000 ] - [ -0.0002477800000000, -0.0002247500000000, -0.0002652200000000 ] - [ 0.0000044200000000, -0.0001605400000000, 0.0003019700000000 ] - [ 0.0001410600000000, 0.0001399900000000, 0.0002490200000000 ] - [ -0.0002573000000000, -0.0004127500000000, 0.0001417700000000 ] - [ 0.0001077800000000, -0.0002422500000000, -0.0000282700000000 ] - [ -0.0000412000000000, -0.0000220500000000, 0.0000545300000000 ] - [ -0.0000202200000000, -0.0004215900000000, -0.0001680800000000 ] - [ 0.0000529700000000, -0.0004286800000000, -0.0001828000000000 ] - [ 0.0004702300000000, -0.0001445600000000, 0.0000016000000000 ] - [ -0.0007195100000000, -0.0002036800000000, -0.0000813500000000 ] - [ -0.0002734800000000, -0.0000622600000000, 0.0000474300000000 ] - [ -0.0002011600000000, 0.0001409700000000, -0.0002653900000000 ] - [ 0.0004842100000000, -0.0003508700000000, -0.0000109000000000 ] - [ 0.0003022900000000, 0.0002210000000000, -0.0001326400000000 ] - [ -0.0000088100000000, 0.0000623500000000, -0.0000494000000000 ] - [ -0.0001634000000000, -0.0000057500000000, 0.0003087700000000 ] - [ -0.0004536200000000, 0.0005250000000000, -0.0003735100000000 ] - [ 0.0000258400000000, 0.0002157600000000, -0.0001779400000000 ]- atom: 38 displacement: [ -0.0099999882766160, 0.0000000000000000, -0.0000153123330198 ] forces: - [ 0.0031845000000000, 0.0000953200000000, -0.0012221200000000 ] - [ -0.0003536900000000, -0.0006935500000000, -0.0004002400000000 ] - [ 0.0002919300000000, -0.0003678500000000, 0.0001024700000000 ] - [ -0.0081018100000000, -0.0010436300000000, 0.0049331500000000 ] - [ -0.0008431500000000, -0.0007184700000000, -0.0004162600000000 ] - [ 0.0014516300000000, -0.0021403400000000, 0.0020354000000000 ] - [ -0.0000594700000000, 0.0002898300000000, -0.0000238400000000 ] - [ 0.0001771500000000, -0.0001635500000000, 0.0001399800000000 ] - [ -0.0000046300000000, -0.0004985800000000, 0.0001390200000000 ] - [ 0.0000974500000000, -0.0004732200000000, 0.0000683700000000 ] - [ 0.0000818900000000, -0.0001807600000000, 0.0000337700000000 ] - [ -0.0000894800000000, -0.0001192900000000, -0.0000601200000000 ] - [ 0.0002231000000000, -0.0000206600000000, -0.0000207000000000 ] - [ -0.0008215400000000, -0.0000745200000000, 0.0000275700000000 ] - [ -0.0026344000000000, 0.0019802600000000, 0.0000827800000000 ] - [ -0.0034763300000000, 0.0018844000000000, -0.0030111400000000 ] - [ 0.0019370900000000, 0.0019307200000000, -0.0003055000000000 ] - [ 0.0024151800000000, 0.0000632700000000, 0.0013269700000000 ] - [ -0.0008552700000000, -0.0002014600000000, -0.0000519700000000 ] - [ 0.0014920100000000, 0.0007235400000000, 0.0006376700000000 ] - [ 0.0009762900000000, 0.0003243900000000, 0.0001608900000000 ] - [ 0.0028966500000000, 0.0007958800000000, 0.0013462100000000 ] - [ -0.0503567700000000, -0.0047355100000000, -0.0189352600000000 ] - [ -0.0208437200000000, 0.0191302100000000, 0.0079141600000000 ] - [ -0.0005394200000000, -0.0000659500000000, -0.0000722700000000 ] - [ 0.0000549300000000, -0.0001617200000000, 0.0000067200000000 ] - [ 0.0007427300000000, 0.0001430700000000, 0.0000609500000000 ] - [ 0.0001141400000000, 0.0000183500000000, 0.0000220400000000 ] - [ -0.0004280200000000, 0.0002262500000000, 0.0000295900000000 ] - [ -0.0000217700000000, 0.0001808600000000, 0.0005089000000000 ] - [ -0.0002569300000000, -0.0002250600000000, -0.0000007300000000 ] - [ -0.0001285600000000, -0.0002539600000000, -0.0005396100000000 ] - [ -0.0002612600000000, 0.0003519400000000, -0.0001490500000000 ] - [ -0.0000521900000000, -0.0001129100000000, -0.0000150100000000 ] - [ 0.0000540800000000, 0.0002230700000000, -0.0005405500000000 ] - [ 0.0000153200000000, -0.0004155600000000, 0.0005346300000000 ] - [ -0.0060310400000000, 0.0031257900000000, -0.0005882100000000 ] - [ 0.1073383200000000, -0.0189913100000000, 0.0056719800000000 ] - [ -0.0004590400000000, -0.0002137300000000, -0.0000465600000000 ] - [ -0.0011448800000000, -0.0011895300000000, -0.0024656200000000 ] - [ 0.0008132100000000, -0.0005392800000000, 0.0000689800000000 ] - [ -0.0034658100000000, -0.0054836500000000, 0.0005047200000000 ] - [ -0.0038379200000000, -0.0005070800000000, -0.0022867000000000 ] - [ 0.0000393500000000, -0.0000010600000000, 0.0003538900000000 ] - [ -0.0015263800000000, -0.0001665300000000, -0.0002104700000000 ] - [ -0.0000001000000000, 0.0003999800000000, 0.0002522500000000 ] - [ 0.0013240700000000, -0.0001744400000000, 0.0034371300000000 ] - [ -0.0035566700000000, -0.0040040900000000, 0.0001707800000000 ] - [ -0.0003644900000000, -0.0003076000000000, -0.0004536500000000 ] - [ -0.0026538700000000, 0.0000022900000000, -0.0006202700000000 ] - [ 0.0002411100000000, 0.0004963600000000, -0.0000418300000000 ] - [ -0.0007695400000000, 0.0000409700000000, -0.0000697600000000 ] - [ 0.0006792700000000, 0.0015681000000000, 0.0004599900000000 ] - [ -0.0140926100000000, 0.0076492600000000, -0.0010037200000000 ] - [ 0.0004932400000000, 0.0006105600000000, -0.0000100600000000 ] - [ 0.0022546300000000, 0.0013421100000000, 0.0030814600000000 ] - [ -0.0013649900000000, -0.0007658400000000, -0.0013589700000000 ] - [ -0.0010393600000000, 0.0004826500000000, 0.0003756900000000 ] - [ -0.0004066100000000, -0.0003902400000000, -0.0003467100000000 ] - [ 0.0008640500000000, 0.0002314400000000, 0.0006517100000000 ] - [ -0.0002438000000000, 0.0003729800000000, 0.0001476100000000 ] - [ 0.0001370600000000, -0.0001167500000000, 0.0002625700000000 ] - [ 0.0001384800000000, 0.0001993200000000, 0.0001930300000000 ] - [ -0.0000687000000000, 0.0001755000000000, 0.0000627900000000 ] - [ -0.0000508300000000, -0.0000621500000000, -0.0003399300000000 ] - [ -0.0000850500000000, -0.0003943900000000, 0.0001547900000000 ] - [ -0.0001792300000000, -0.0001851900000000, -0.0002579900000000 ] - [ -0.0001905500000000, 0.0001043000000000, 0.0003196400000000 ] - [ 0.0002848900000000, 0.0002773800000000, 0.0002716000000000 ] - [ -0.0001822400000000, -0.0001323800000000, 0.0001710400000000 ] - [ -0.0000134600000000, -0.0000528000000000, -0.0000677500000000 ] - [ -0.0000576900000000, -0.0002778100000000, 0.0000436500000000 ] - [ 0.0000230800000000, -0.0002735300000000, -0.0001597300000000 ] - [ 0.0003917100000000, -0.0001152600000000, -0.0001283500000000 ] - [ 0.0004337900000000, 0.0002005400000000, -0.0000147400000000 ] - [ -0.0001490100000000, 0.0001447000000000, 0.0001100100000000 ] - [ -0.0006148200000000, 0.0001176200000000, -0.0000304900000000 ] - [ -0.0002252600000000, 0.0002726900000000, -0.0002566400000000 ] - [ 0.0003945100000000, 0.0002946800000000, -0.0000144700000000 ] - [ 0.0001428800000000, 0.0003279300000000, -0.0001778900000000 ] - [ 0.0001063400000000, 0.0002417600000000, -0.0000474500000000 ] - [ -0.0000222400000000, 0.0000795200000000, 0.0002939600000000 ] - [ 0.0006320000000000, -0.0005830100000000, -0.0002496000000000 ] - [ -0.0000135000000000, 0.0004744200000000, -0.0001586300000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013155100000000, 0.0027265700000000, -0.0013047100000000 ] - [ 0.0010515500000000, -0.0009621400000000, -0.0000340400000000 ] - [ 0.0004151900000000, -0.0004567100000000, -0.0000533600000000 ] - [ 0.0025240300000000, 0.0042647200000000, -0.0013369000000000 ] - [ -0.0003882600000000, 0.0071783400000000, -0.0032644300000000 ] - [ 0.0007577900000000, -0.0000846900000000, 0.0008423600000000 ] - [ -0.0000481900000000, -0.0006012000000000, -0.0000350300000000 ] - [ 0.0002668000000000, -0.0006248900000000, 0.0001842500000000 ] - [ 0.0005402100000000, -0.0011927800000000, 0.0005792300000000 ] - [ 0.0000326900000000, -0.0013097300000000, 0.0000226900000000 ] - [ 0.0001253900000000, -0.0008517600000000, 0.0000130700000000 ] - [ 0.0001053700000000, -0.0008682600000000, -0.0000080900000000 ] - [ 0.0003442600000000, 0.0000641900000000, -0.0002508800000000 ] - [ 0.0013167200000000, -0.0013185000000000, 0.0026862900000000 ] - [ -0.0007217800000000, -0.0014348800000000, -0.0006245900000000 ] - [ -0.0023996800000000, 0.0006798500000000, 0.0006284900000000 ] - [ 0.0005542300000000, 0.0002299700000000, 0.0003003100000000 ] - [ 0.0000124500000000, 0.0016927000000000, 0.0001888200000000 ] - [ 0.0022796800000000, -0.0023660600000000, -0.0011538400000000 ] - [ 0.0000903500000000, 0.0011685600000000, -0.0012895200000000 ] - [ 0.0007102300000000, -0.0002115100000000, -0.0001208300000000 ] - [ 0.0016257300000000, 0.0010041600000000, 0.0007194800000000 ] - [ 0.0059136900000000, 0.0104833000000000, 0.0034591700000000 ] - [ -0.0192437300000000, 0.0425690200000000, 0.0166692300000000 ] - [ -0.0000868500000000, -0.0011146500000000, 0.0004628300000000 ] - [ 0.0000804800000000, -0.0006685100000000, -0.0000317300000000 ] - [ 0.0005824900000000, -0.0005028600000000, 0.0000874900000000 ] - [ 0.0000259400000000, -0.0005987100000000, -0.0000366200000000 ] - [ -0.0000095600000000, -0.0010197500000000, -0.0000865700000000 ] - [ 0.0003097200000000, -0.0008054500000000, 0.0007985500000000 ] - [ -0.0000694900000000, -0.0006702800000000, 0.0000629000000000 ] - [ 0.0002210800000000, -0.0012753700000000, -0.0003405400000000 ] - [ 0.0001714600000000, -0.0009651000000000, 0.0001949700000000 ] - [ 0.0005920500000000, -0.0013407300000000, -0.0002327500000000 ] - [ -0.0001674000000000, -0.0005509700000000, -0.0006761500000000 ] - [ -0.0001537100000000, -0.0011322500000000, 0.0003818800000000 ] - [ -0.0040800100000000, 0.0005008100000000, -0.0005439900000000 ] - [ 0.0185714200000000, -0.0805741200000000, -0.0172921500000000 ] - [ -0.0001260100000000, -0.0000767900000000, 0.0000768700000000 ] - [ 0.0017354400000000, -0.0026523600000000, 0.0007642800000000 ] - [ 0.0003459500000000, 0.0004428100000000, -0.0001480900000000 ] - [ 0.0049315500000000, 0.0017623200000000, -0.0003773200000000 ] - [ -0.0005051400000000, -0.0017206200000000, -0.0000097300000000 ] - [ -0.0004521600000000, 0.0007612700000000, 0.0000831600000000 ] - [ -0.0001666000000000, -0.0008457400000000, 0.0004032900000000 ] - [ -0.0010420300000000, -0.0005092900000000, -0.0002471700000000 ] - [ -0.0015933900000000, 0.0019215600000000, -0.0001830500000000 ] - [ 0.0007372600000000, -0.0000577700000000, 0.0003476700000000 ] - [ -0.0002199200000000, -0.0009786800000000, -0.0003833800000000 ] - [ -0.0005382600000000, -0.0003139600000000, -0.0003864300000000 ] - [ -0.0001574600000000, 0.0002352400000000, -0.0001977800000000 ] - [ -0.0006831400000000, 0.0000814600000000, -0.0000583200000000 ] - [ -0.0006539000000000, 0.0038581400000000, 0.0001015300000000 ] - [ -0.0076983500000000, 0.0015037500000000, 0.0011707500000000 ] - [ -0.0002839300000000, 0.0004422900000000, -0.0000727300000000 ] - [ 0.0000614100000000, 0.0025505000000000, -0.0005763000000000 ] - [ -0.0006256800000000, -0.0011312200000000, 0.0002707800000000 ] - [ -0.0005560500000000, 0.0004077200000000, 0.0001629600000000 ] - [ -0.0000584100000000, 0.0001927900000000, -0.0003748100000000 ] - [ -0.0035491000000000, 0.0086912200000000, 0.0006307000000000 ] - [ -0.0005012600000000, 0.0009226300000000, 0.0000916500000000 ] - [ 0.0001175000000000, 0.0004029800000000, 0.0003505700000000 ] - [ -0.0000049400000000, 0.0010716900000000, 0.0001538200000000 ] - [ -0.0002071700000000, 0.0006531600000000, 0.0001345200000000 ] - [ 0.0000358300000000, 0.0003877200000000, -0.0003345200000000 ] - [ -0.0000364900000000, 0.0002261500000000, 0.0001513200000000 ] - [ -0.0001839500000000, 0.0004820200000000, -0.0003813600000000 ] - [ -0.0002600800000000, 0.0003760800000000, 0.0002679000000000 ] - [ 0.0002738800000000, 0.0009530300000000, 0.0001438900000000 ] - [ -0.0002623500000000, 0.0002582000000000, 0.0001621800000000 ] - [ -0.0001355900000000, 0.0003680300000000, 0.0000033900000000 ] - [ 0.0001863400000000, 0.0005277900000000, -0.0000042600000000 ] - [ -0.0001360400000000, 0.0004980000000000, -0.0002033900000000 ] - [ 0.0001090500000000, 0.0006404600000000, -0.0002034300000000 ] - [ 0.0001757100000000, 0.0005498000000000, -0.0001441400000000 ] - [ -0.0005086000000000, 0.0007241900000000, -0.0000199200000000 ] - [ -0.0006151700000000, 0.0004280500000000, -0.0000441000000000 ] - [ -0.0002709000000000, 0.0008184700000000, -0.0001655900000000 ] - [ 0.0001621000000000, 0.0004941800000000, -0.0000855200000000 ] - [ 0.0001819600000000, 0.0007353900000000, -0.0001505100000000 ] - [ 0.0003616100000000, 0.0011773500000000, -0.0001056900000000 ] - [ -0.0007380100000000, 0.0019784600000000, 0.0003143200000000 ] - [ 0.0002540900000000, 0.0007447300000000, -0.0003233700000000 ] - [ -0.0000674500000000, 0.0009564600000000, -0.0001699800000000 ]- atom: 38 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013106300000000, -0.0019082300000000, 0.0013128100000000 ] - [ -0.0010493900000000, 0.0010589200000000, 0.0000338300000000 ] - [ -0.0004167100000000, 0.0003599100000000, 0.0000527800000000 ] - [ -0.0024890600000000, -0.0050823300000000, 0.0012839000000000 ] - [ 0.0002132700000000, -0.0070732500000000, 0.0030170000000000 ] - [ -0.0007558900000000, 0.0002288300000000, -0.0008395100000000 ] - [ 0.0000487800000000, 0.0014295100000000, 0.0000367300000000 ] - [ -0.0002699600000000, 0.0007219500000000, -0.0001834000000000 ] - [ -0.0005377100000000, 0.0011024900000000, -0.0005759800000000 ] - [ -0.0000348300000000, 0.0004850500000000, -0.0000250900000000 ] - [ -0.0001274400000000, 0.0007030200000000, -0.0000147100000000 ] - [ -0.0001055400000000, 0.0010225800000000, 0.0000071100000000 ] - [ -0.0011867500000000, 0.0000166400000000, 0.0001285100000000 ] - [ -0.0013097700000000, 0.0012868900000000, -0.0027096100000000 ] - [ 0.0015512100000000, 0.0015198400000000, 0.0007473600000000 ] - [ 0.0023861300000000, -0.0006429900000000, -0.0006260300000000 ] - [ -0.0005564700000000, -0.0002559900000000, -0.0003017400000000 ] - [ 0.0000103900000000, -0.0011260100000000, 0.0008516000000000 ] - [ -0.0031415600000000, 0.0022926300000000, 0.0010379400000000 ] - [ -0.0001013300000000, -0.0017377200000000, 0.0002508800000000 ] - [ 0.0001306200000000, 0.0001312800000000, 0.0002437300000000 ] - [ -0.0016326300000000, -0.0009786700000000, -0.0007219500000000 ] - [ -0.0060568300000000, -0.0100234200000000, -0.0045991400000000 ] - [ 0.0203677000000000, -0.0446539300000000, -0.0165267400000000 ] - [ -0.0007533100000000, 0.0011982500000000, -0.0005915900000000 ] - [ -0.0000795000000000, 0.0006460300000000, 0.0000280300000000 ] - [ 0.0002547500000000, 0.0005836800000000, 0.0000389000000000 ] - [ -0.0000303700000000, 0.0006237700000000, 0.0000386200000000 ] - [ 0.0000072200000000, 0.0009982300000000, 0.0000845600000000 ] - [ -0.0002930300000000, 0.0013788400000000, 0.0002374800000000 ] - [ -0.0007615700000000, 0.0005926900000000, -0.0001860900000000 ] - [ -0.0002397100000000, 0.0007097900000000, -0.0006989900000000 ] - [ 0.0006684500000000, 0.0008892500000000, -0.0000721900000000 ] - [ -0.0005925100000000, 0.0013711900000000, 0.0002378600000000 ] - [ 0.0001476900000000, 0.0011204100000000, -0.0003628300000000 ] - [ 0.0001712800000000, 0.0005659300000000, 0.0006560600000000 ] - [ 0.0036532900000000, 0.0000372300000000, 0.0008593700000000 ] - [ -0.0190623600000000, 0.0816359500000000, 0.0191740200000000 ] - [ 0.0001295300000000, 0.0007671500000000, 0.0002495800000000 ] - [ -0.0018467300000000, 0.0029341000000000, -0.0006751500000000 ] - [ -0.0001470600000000, -0.0003899000000000, -0.0004663900000000 ] - [ -0.0048965400000000, -0.0024305700000000, 0.0006953700000000 ] - [ 0.0001021400000000, 0.0013236600000000, -0.0005077400000000 ] - [ 0.0002552500000000, -0.0008148800000000, 0.0005276400000000 ] - [ 0.0005680800000000, 0.0012477400000000, 0.0001150200000000 ] - [ 0.0006078600000000, -0.0000303600000000, 0.0005610700000000 ] - [ 0.0016881900000000, -0.0022209800000000, 0.0000441700000000 ] - [ -0.0008399900000000, -0.0002429600000000, -0.0002240100000000 ] - [ 0.0002162500000000, 0.0002954200000000, 0.0000569500000000 ] - [ 0.0009752000000000, -0.0002299300000000, 0.0000754000000000 ] - [ 0.0010670000000000, -0.0001802300000000, 0.0001875900000000 ] - [ -0.0002299500000000, -0.0001379200000000, 0.0000668800000000 ] - [ -0.0002506200000000, -0.0037522800000000, -0.0000856900000000 ] - [ 0.0073475300000000, -0.0011098400000000, -0.0017031800000000 ] - [ 0.0011972400000000, -0.0004981200000000, 0.0000634900000000 ] - [ 0.0003669900000000, -0.0019998300000000, 0.0002783100000000 ] - [ 0.0007110000000000, 0.0014200200000000, -0.0003983800000000 ] - [ 0.0003583000000000, -0.0003515600000000, 0.0004484500000000 ] - [ 0.0002548200000000, -0.0002508400000000, -0.0002315800000000 ] - [ 0.0035639800000000, -0.0081537000000000, -0.0009672600000000 ] - [ 0.0000633700000000, -0.0003800200000000, 0.0002202400000000 ] - [ 0.0002893800000000, -0.0008083900000000, 0.0001662700000000 ] - [ 0.0000090700000000, -0.0003897000000000, 0.0001728700000000 ] - [ 0.0001186700000000, -0.0003600600000000, -0.0000157200000000 ] - [ 0.0001627400000000, -0.0003337000000000, -0.0002821200000000 ] - [ 0.0000398900000000, -0.0009091000000000, 0.0001789700000000 ] - [ -0.0002203400000000, -0.0008824000000000, -0.0001389100000000 ] - [ 0.0000618400000000, -0.0004339400000000, 0.0003457100000000 ] - [ 0.0001282500000000, -0.0005500300000000, 0.0003717600000000 ] - [ -0.0001721400000000, -0.0008052400000000, 0.0001513000000000 ] - [ 0.0002244300000000, -0.0006622800000000, -0.0001166800000000 ] - [ -0.0002742700000000, -0.0008197700000000, 0.0001261500000000 ] - [ 0.0001336600000000, -0.0011882500000000, -0.0001253400000000 ] - [ 0.0003236300000000, -0.0011852700000000, -0.0001093100000000 ] - [ 0.0007405900000000, -0.0004935800000000, 0.0001363400000000 ] - [ -0.0004009900000000, -0.0007850300000000, 0.0000293700000000 ] - [ -0.0002856600000000, -0.0003698300000000, 0.0000559100000000 ] - [ -0.0001341600000000, -0.0004198800000000, -0.0003540500000000 ] - [ 0.0007410700000000, -0.0005540400000000, 0.0000729000000000 ] - [ 0.0002567100000000, -0.0001904600000000, -0.0001604400000000 ] - [ -0.0002736100000000, -0.0008870300000000, -0.0000082700000000 ] - [ 0.0005438000000000, -0.0019364000000000, 0.0002973700000000 ] - [ -0.0000569800000000, -0.0008074200000000, -0.0002867900000000 ] - [ 0.0000666600000000, -0.0002705800000000, -0.0001615800000000 ]- atom: 38 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ 0.0002433600000000, 0.0018062900000000, -0.0008546500000000 ] - [ -0.0003744600000000, 0.0002370000000000, -0.0002677400000000 ] - [ 0.0000893200000000, -0.0001874300000000, -0.0000232200000000 ] - [ -0.0100173900000000, -0.0002877500000000, 0.0079300200000000 ] - [ 0.0022940000000000, -0.0040684300000000, 0.0052398500000000 ] - [ 0.0004509000000000, -0.0006889200000000, 0.0007864400000000 ] - [ -0.0000139000000000, 0.0002182200000000, 0.0000002500000000 ] - [ 0.0000743000000000, -0.0000976300000000, 0.0000555400000000 ] - [ 0.0000653900000000, -0.0002820400000000, 0.0001464200000000 ] - [ 0.0000227300000000, -0.0005409100000000, 0.0000173600000000 ] - [ 0.0000288000000000, -0.0001918400000000, 0.0000082800000000 ] - [ -0.0000157900000000, -0.0001209000000000, -0.0000248400000000 ] - [ -0.0003087600000000, -0.0001160900000000, -0.0001001400000000 ] - [ 0.0015486000000000, -0.0010739200000000, 0.0004404100000000 ] - [ -0.0003899400000000, 0.0002511100000000, 0.0001525500000000 ] - [ 0.0012842800000000, -0.0008555500000000, -0.0010164700000000 ] - [ 0.0003638400000000, 0.0002437300000000, -0.0000402800000000 ] - [ -0.0000979300000000, 0.0007598800000000, 0.0002162100000000 ] - [ -0.0004417800000000, -0.0003978700000000, 0.0000320400000000 ] - [ 0.0000097600000000, -0.0001409000000000, -0.0004539800000000 ] - [ 0.0005171800000000, -0.0000306400000000, 0.0000410700000000 ] - [ 0.0006016100000000, 0.0002376000000000, 0.0003789900000000 ] - [ 0.0012880400000000, 0.0018628200000000, 0.0074203800000000 ] - [ -0.0149988700000000, 0.0204342500000000, 0.0146363800000000 ] - [ -0.0003129800000000, -0.0002127600000000, -0.0000824400000000 ] - [ 0.0000075100000000, -0.0001527200000000, -0.0000052000000000 ] - [ 0.0004749200000000, -0.0000436500000000, 0.0000609200000000 ] - [ 0.0000038400000000, -0.0001013900000000, -0.0000043900000000 ] - [ -0.0000985000000000, -0.0000950100000000, 0.0000275000000000 ] - [ 0.0000736900000000, 0.0000856300000000, 0.0005369500000000 ] - [ -0.0003878800000000, -0.0002066000000000, -0.0000334600000000 ] - [ 0.0000274900000000, -0.0004372400000000, -0.0005068700000000 ] - [ 0.0004120700000000, -0.0001689500000000, -0.0000417800000000 ] - [ 0.0000362000000000, -0.0001807800000000, 0.0000226300000000 ] - [ -0.0000334800000000, 0.0001296700000000, -0.0005473200000000 ] - [ -0.0000204900000000, -0.0004435300000000, 0.0004991600000000 ] - [ -0.0020389800000000, 0.0009374000000000, -0.0004856600000000 ] - [ 0.0294507900000000, -0.0232189300000000, -0.0523844600000000 ] - [ -0.0000392000000000, 0.0002205900000000, 0.0000902100000000 ] - [ 0.0032698900000000, 0.0002384500000000, 0.0044695300000000 ] - [ 0.0000644500000000, 0.0002211200000000, -0.0002686800000000 ] - [ -0.0013335200000000, -0.0023571000000000, -0.0004629500000000 ] - [ 0.0005324700000000, -0.0005361400000000, 0.0005517000000000 ] - [ -0.0002230800000000, 0.0003187100000000, 0.0003190000000000 ] - [ 0.0001011300000000, -0.0000472700000000, 0.0001316500000000 ] - [ -0.0003551600000000, -0.0003111500000000, 0.0000369100000000 ] - [ -0.0037181800000000, 0.0033888600000000, 0.0084495900000000 ] - [ -0.0007848600000000, -0.0008946500000000, -0.0001550800000000 ] - [ -0.0000421900000000, -0.0004226200000000, -0.0002625900000000 ] - [ -0.0004669100000000, -0.0002351300000000, -0.0002580500000000 ] - [ 0.0004766300000000, 0.0001073900000000, -0.0000209800000000 ] - [ -0.0005105900000000, 0.0000078900000000, -0.0000121200000000 ] - [ -0.0004532000000000, 0.0009207900000000, 0.0002764800000000 ] - [ -0.0040074700000000, 0.0039832800000000, -0.0022255200000000 ] - [ 0.0004067300000000, 0.0002286200000000, -0.0000098800000000 ] - [ -0.0015914500000000, -0.0005237700000000, 0.0063978100000000 ] - [ -0.0000330200000000, -0.0000647600000000, 0.0005714700000000 ] - [ -0.0003636000000000, 0.0002732900000000, 0.0003339600000000 ] - [ -0.0000187400000000, -0.0000315500000000, -0.0003258200000000 ] - [ -0.0005974600000000, 0.0001164000000000, 0.0006440700000000 ] - [ -0.0002523900000000, 0.0003875500000000, 0.0001421900000000 ] - [ 0.0001853400000000, -0.0000910900000000, 0.0002738300000000 ] - [ -0.0000033300000000, 0.0004925800000000, 0.0001903100000000 ] - [ -0.0000713100000000, 0.0002334700000000, 0.0000644400000000 ] - [ 0.0000745200000000, 0.0001001500000000, -0.0003115600000000 ] - [ -0.0000137900000000, -0.0002535000000000, 0.0001699400000000 ] - [ -0.0002008400000000, -0.0000903200000000, -0.0002700500000000 ] - [ -0.0001143800000000, 0.0000857100000000, 0.0003183600000000 ] - [ 0.0002268000000000, 0.0003291700000000, 0.0002501500000000 ] - [ -0.0002108300000000, -0.0001663900000000, 0.0001638500000000 ] - [ 0.0000054100000000, -0.0000368300000000, -0.0000453200000000 ] - [ -0.0000135900000000, -0.0000760700000000, 0.0000302300000000 ] - [ -0.0000283900000000, -0.0001543600000000, -0.0001652300000000 ] - [ 0.0002377700000000, -0.0001080800000000, -0.0001702800000000 ] - [ 0.0003961900000000, 0.0001379900000000, -0.0000163500000000 ] - [ -0.0004370300000000, 0.0000342900000000, 0.0000133300000000 ] - [ -0.0004973100000000, 0.0001086200000000, -0.0000056200000000 ] - [ -0.0002198400000000, 0.0003168200000000, -0.0002419700000000 ] - [ 0.0003939500000000, 0.0001076900000000, -0.0000112200000000 ] - [ 0.0002037400000000, 0.0003592700000000, -0.0001587000000000 ] - [ 0.0000902100000000, 0.0002748200000000, -0.0000701200000000 ] - [ -0.0001132300000000, 0.0001438000000000, 0.0002801300000000 ] - [ 0.0002340900000000, -0.0000746600000000, -0.0003080300000000 ] - [ -0.0000019100000000, 0.0004768800000000, -0.0001694800000000 ]- atom: 38 displacement: [ 0.0032041063292312, 0.0000000000000000, -0.0094727874794582 ] forces: - [ -0.0002336000000000, -0.0010203800000000, 0.0008479800000000 ] - [ 0.0003731500000000, -0.0001323700000000, 0.0002676400000000 ] - [ -0.0000914700000000, 0.0000757600000000, 0.0000240900000000 ] - [ 0.0094833900000000, -0.0004982100000000, -0.0076455500000000 ] - [ -0.0023888700000000, 0.0040271500000000, -0.0052256800000000 ] - [ -0.0004495200000000, 0.0007781100000000, -0.0007786600000000 ] - [ 0.0000127900000000, 0.0005679600000000, 0.0000007800000000 ] - [ -0.0000753800000000, 0.0002097300000000, -0.0000556200000000 ] - [ -0.0000655500000000, 0.0001719000000000, -0.0001482800000000 ] - [ -0.0000233800000000, -0.0002426800000000, -0.0000181700000000 ] - [ -0.0000281600000000, 0.0000965000000000, -0.0000102900000000 ] - [ 0.0000150400000000, 0.0002195800000000, 0.0000257300000000 ] - [ -0.0005180800000000, 0.0001902500000000, -0.0000187800000000 ] - [ -0.0015509600000000, 0.0010667400000000, -0.0004413500000000 ] - [ 0.0012044700000000, -0.0001674700000000, -0.0000309700000000 ] - [ -0.0013029300000000, 0.0008714100000000, 0.0009987100000000 ] - [ -0.0003742900000000, -0.0002523900000000, 0.0000356800000000 ] - [ 0.0001297100000000, -0.0002020200000000, 0.0008188600000000 ] - [ -0.0003799000000000, 0.0003256000000000, -0.0001548000000000 ] - [ -0.0000279100000000, -0.0004144700000000, -0.0005770900000000 ] - [ 0.0002978500000000, -0.0000411100000000, 0.0000675300000000 ] - [ -0.0005787700000000, -0.0002241500000000, -0.0003655600000000 ] - [ -0.0015236400000000, -0.0013435300000000, -0.0085648400000000 ] - [ 0.0152322300000000, -0.0215901100000000, -0.0136145000000000 ] - [ -0.0005084900000000, 0.0002896700000000, -0.0000304800000000 ] - [ 0.0000084000000000, 0.0001366300000000, 0.0000100100000000 ] - [ 0.0003462900000000, 0.0001197100000000, 0.0000579200000000 ] - [ -0.0000211600000000, 0.0001168900000000, -0.0000002400000000 ] - [ 0.0000818200000000, 0.0000851200000000, -0.0000364900000000 ] - [ -0.0000457500000000, 0.0004737200000000, 0.0005031200000000 ] - [ -0.0004367700000000, 0.0001305400000000, -0.0000857600000000 ] - [ -0.0000545300000000, -0.0001186800000000, -0.0005271500000000 ] - [ 0.0004109400000000, 0.0000981000000000, 0.0001555000000000 ] - [ -0.0000201500000000, 0.0001986400000000, -0.0000114400000000 ] - [ 0.0000072300000000, 0.0004274700000000, -0.0004882500000000 ] - [ 0.0000500900000000, -0.0001132700000000, 0.0005378000000000 ] - [ 0.0015754000000000, -0.0003849900000000, 0.0007846400000000 ] - [ -0.0283556900000000, 0.0233763500000000, 0.0527270400000000 ] - [ 0.0000223100000000, 0.0004631200000000, 0.0002464100000000 ] - [ -0.0033412800000000, 0.0000577500000000, -0.0043329500000000 ] - [ 0.0001203800000000, -0.0001654900000000, -0.0003495200000000 ] - [ 0.0012989200000000, 0.0016495800000000, 0.0008009200000000 ] - [ -0.0009656900000000, 0.0001315400000000, -0.0010816800000000 ] - [ 0.0000420100000000, -0.0003799800000000, 0.0002964200000000 ] - [ 0.0003186700000000, 0.0004587700000000, 0.0003851400000000 ] - [ -0.0000978500000000, -0.0002351900000000, 0.0002703100000000 ] - [ 0.0038314300000000, -0.0037705800000000, -0.0085726400000000 ] - [ 0.0006918000000000, 0.0006019400000000, 0.0002573400000000 ] - [ 0.0000525400000000, -0.0002737000000000, -0.0000723600000000 ] - [ 0.0009107500000000, -0.0003102500000000, -0.0000506600000000 ] - [ 0.0004134400000000, -0.0000488900000000, 0.0000044600000000 ] - [ -0.0003567500000000, -0.0000680800000000, 0.0000376400000000 ] - [ -0.0004154100000000, -0.0008665300000000, -0.0002631300000000 ] - [ 0.0035443900000000, -0.0035623500000000, 0.0017299200000000 ] - [ 0.0004806200000000, -0.0002876600000000, -0.0000070300000000 ] - [ 0.0020403600000000, 0.0011483200000000, -0.0067127200000000 ] - [ 0.0001214300000000, 0.0003533000000000, -0.0006732200000000 ] - [ 0.0001785100000000, -0.0002026600000000, 0.0002790200000000 ] - [ 0.0002023900000000, -0.0000290000000000, -0.0003017400000000 ] - [ 0.0006116200000000, 0.0005840900000000, -0.0009710100000000 ] - [ -0.0002018900000000, 0.0001597700000000, 0.0001628000000000 ] - [ 0.0002356600000000, -0.0003195400000000, 0.0002439600000000 ] - [ -0.0000111300000000, 0.0002026200000000, 0.0001465100000000 ] - [ -0.0000231600000000, 0.0000587300000000, 0.0000355300000000 ] - [ 0.0001052800000000, -0.0000335000000000, -0.0003036600000000 ] - [ 0.0000032200000000, -0.0004404900000000, 0.0001626300000000 ] - [ -0.0002184200000000, -0.0003260800000000, -0.0002430300000000 ] - [ -0.0000705000000000, -0.0001413500000000, 0.0003075900000000 ] - [ 0.0001984100000000, 0.0000726100000000, 0.0002729200000000 ] - [ -0.0002443600000000, -0.0003810000000000, 0.0001415700000000 ] - [ 0.0000895400000000, -0.0002574600000000, -0.0000566200000000 ] - [ -0.0000798400000000, -0.0002161100000000, 0.0000638300000000 ] - [ 0.0000389100000000, -0.0005357200000000, -0.0001626400000000 ] - [ 0.0002135500000000, -0.0004395700000000, -0.0001375500000000 ] - [ 0.0004862000000000, -0.0000789100000000, -0.0000034000000000 ] - [ -0.0004385600000000, -0.0000922500000000, 0.0000078700000000 ] - [ -0.0003840800000000, -0.0000497100000000, 0.0000259500000000 ] - [ -0.0002025200000000, 0.0000924600000000, -0.0002769700000000 ] - [ 0.0004762600000000, -0.0001671600000000, -0.0000134200000000 ] - [ 0.0002482300000000, 0.0001884900000000, -0.0001490400000000 ] - [ 0.0000041200000000, 0.0000188100000000, -0.0000403900000000 ] - [ -0.0000713600000000, -0.0000895500000000, 0.0003381800000000 ] - [ -0.0000483800000000, 0.0000083500000000, -0.0003108400000000 ] - [ 0.0000164000000000, 0.0002108200000000, -0.0001637800000000 ]- atom: 39 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ -0.0008096300000000, 0.0010391900000000, 0.0006175100000000 ] - [ -0.0001391200000000, -0.0000076800000000, -0.0000639700000000 ] - [ -0.0007456100000000, -0.0005231700000000, 0.0010451000000000 ] - [ -0.0008603200000000, -0.0005597100000000, -0.0002666100000000 ] - [ -0.0005554900000000, -0.0004076600000000, -0.0004288400000000 ] - [ -0.0008607400000000, 0.0002897600000000, -0.0007239000000000 ] - [ -0.0001798100000000, 0.0005115600000000, -0.0001415600000000 ] - [ 0.0000296900000000, -0.0014358900000000, -0.0010681000000000 ] - [ -0.0000791100000000, -0.0000629100000000, -0.0000646100000000 ] - [ 0.0000811600000000, -0.0004480200000000, 0.0000282700000000 ] - [ 0.0002124800000000, -0.0003222700000000, 0.0001220700000000 ] - [ -0.0000765400000000, 0.0001029800000000, -0.0000385300000000 ] - [ -0.0000684900000000, 0.0001463100000000, -0.0000687300000000 ] - [ -0.0008420000000000, 0.0001127400000000, -0.0002299400000000 ] - [ 0.0002876800000000, 0.0001532800000000, 0.0000288700000000 ] - [ -0.0003452600000000, 0.0003850900000000, 0.0000543500000000 ] - [ 0.0078426700000000, -0.0005085100000000, 0.0142849500000000 ] - [ 0.0030007500000000, 0.0017364600000000, 0.0005310200000000 ] - [ -0.0010512600000000, -0.0001895600000000, -0.0001690500000000 ] - [ 0.0213273000000000, -0.0228872600000000, -0.0100010400000000 ] - [ 0.0296211300000000, 0.0253819600000000, -0.0087243000000000 ] - [ 0.0005480100000000, 0.0002067300000000, 0.0002138800000000 ] - [ -0.0003868000000000, 0.0005497200000000, -0.0007903900000000 ] - [ -0.0003676600000000, -0.0000606100000000, 0.0004529000000000 ] - [ -0.0009508000000000, 0.0002004300000000, -0.0004146600000000 ] - [ 0.0000991900000000, 0.0000408700000000, -0.0000078800000000 ] - [ 0.0015442500000000, 0.0008011300000000, 0.0008131100000000 ] - [ 0.0010930800000000, 0.0008005000000000, -0.0002757000000000 ] - [ -0.0000568600000000, 0.0000065700000000, -0.0000109600000000 ] - [ -0.0000016400000000, 0.0001499700000000, 0.0004419400000000 ] - [ -0.0003422800000000, 0.0000186700000000, -0.0000349000000000 ] - [ -0.0000722300000000, -0.0003107900000000, -0.0005108100000000 ] - [ 0.0003335300000000, 0.0000232800000000, 0.0000641800000000 ] - [ -0.0001027000000000, -0.0001191500000000, 0.0000377500000000 ] - [ 0.0002657700000000, 0.0005884100000000, -0.0003626100000000 ] - [ 0.0001077500000000, -0.0002404300000000, 0.0005612000000000 ] - [ -0.0002354200000000, 0.0005562800000000, 0.0001111600000000 ] - [ 0.0006412700000000, -0.0003193200000000, 0.0003766900000000 ] - [ -0.0708220400000000, -0.0046753700000000, 0.0124175900000000 ] - [ 0.0004478700000000, -0.0004362400000000, 0.0000517600000000 ] - [ 0.0001852500000000, -0.0000910100000000, -0.0002897500000000 ] - [ 0.0001196500000000, -0.0004797600000000, 0.0002017800000000 ] - [ -0.0010654100000000, 0.0033502300000000, -0.0011883500000000 ] - [ 0.0009294700000000, -0.0006333500000000, 0.0002896700000000 ] - [ 0.0036468000000000, -0.0046928700000000, 0.0000342800000000 ] - [ 0.0008065000000000, -0.0002804500000000, 0.0006030600000000 ] - [ 0.0028301500000000, 0.0013116500000000, -0.0002053300000000 ] - [ -0.0004462100000000, 0.0006329100000000, -0.0046630300000000 ] - [ -0.0004950700000000, -0.0007329600000000, -0.0001695500000000 ] - [ 0.0011900900000000, -0.0007879400000000, 0.0027408600000000 ] - [ 0.0004371200000000, 0.0002905900000000, 0.0000099100000000 ] - [ 0.0052206900000000, 0.0047550000000000, -0.0001815800000000 ] - [ -0.0003734900000000, 0.0000151500000000, 0.0000350600000000 ] - [ 0.0001763800000000, -0.0000202800000000, -0.0001772000000000 ] - [ 0.0008691500000000, 0.0000894200000000, 0.0002364000000000 ] - [ 0.0005868900000000, 0.0002317900000000, -0.0000908900000000 ] - [ -0.0005313500000000, -0.0003346600000000, -0.0002995200000000 ] - [ -0.0001915000000000, -0.0000602300000000, 0.0002702000000000 ] - [ -0.0004476900000000, -0.0009261500000000, -0.0045964000000000 ] - [ 0.0002164400000000, 0.0003254500000000, 0.0003541200000000 ] - [ -0.0002690600000000, 0.0004316300000000, 0.0001167900000000 ] - [ 0.0000526600000000, -0.0002021600000000, 0.0002127600000000 ] - [ 0.0000444000000000, 0.0003300300000000, 0.0001710300000000 ] - [ 0.0001163100000000, -0.0004827000000000, 0.0000918400000000 ] - [ -0.0012770800000000, -0.0024051300000000, -0.0008397800000000 ] - [ -0.0002845700000000, -0.0006899500000000, 0.0000795500000000 ] - [ -0.0001731600000000, -0.0001253700000000, -0.0002602300000000 ] - [ -0.0001731400000000, -0.0001364600000000, 0.0003032000000000 ] - [ 0.0002707000000000, 0.0002350300000000, 0.0002686600000000 ] - [ -0.0002195700000000, -0.0003413900000000, 0.0001582200000000 ] - [ 0.0000137400000000, -0.0001512200000000, -0.0000888800000000 ] - [ -0.0000247200000000, -0.0001259600000000, 0.0000720400000000 ] - [ 0.0002039900000000, -0.0001082400000000, -0.0001854300000000 ] - [ 0.0002483300000000, -0.0002781100000000, -0.0001471000000000 ] - [ 0.0015791600000000, 0.0005625900000000, 0.0001911300000000 ] - [ -0.0004155400000000, -0.0000421000000000, 0.0000106000000000 ] - [ -0.0011331600000000, 0.0002744100000000, -0.0002362700000000 ] - [ -0.0002127500000000, 0.0000619800000000, -0.0002924100000000 ] - [ 0.0004592400000000, -0.0000219500000000, -0.0000013800000000 ] - [ -0.0002490200000000, 0.0003850000000000, -0.0002455700000000 ] - [ 0.0001193700000000, 0.0002213700000000, -0.0000297300000000 ] - [ 0.0000134000000000, 0.0001334600000000, 0.0003410100000000 ] - [ 0.0001486300000000, -0.0000713800000000, -0.0002904100000000 ] - [ -0.0000337800000000, 0.0002967200000000, -0.0001706100000000 ]- atom: 39 displacement: [ -0.0099999882766160, 0.0000000000000000, -0.0000153123330198 ] forces: - [ 0.0008103500000000, -0.0002201300000000, -0.0006177200000000 ] - [ 0.0001381200000000, 0.0001130200000000, 0.0000661400000000 ] - [ 0.0007443900000000, 0.0004061700000000, -0.0010546100000000 ] - [ 0.0008581500000000, -0.0002494600000000, 0.0002637300000000 ] - [ 0.0005565800000000, 0.0002812800000000, 0.0004321700000000 ] - [ 0.0008588100000000, -0.0001698000000000, 0.0007306800000000 ] - [ 0.0001796000000000, 0.0002985800000000, 0.0001411300000000 ] - [ -0.0000307200000000, 0.0015504500000000, 0.0010752400000000 ] - [ 0.0000809100000000, -0.0000383900000000, 0.0000638000000000 ] - [ -0.0000838700000000, -0.0003613600000000, -0.0000282200000000 ] - [ -0.0002124300000000, 0.0001936300000000, -0.0001248500000000 ] - [ 0.0000758200000000, 0.0000289100000000, 0.0000395100000000 ] - [ -0.0007667500000000, -0.0000633000000000, -0.0000572800000000 ] - [ 0.0008465300000000, -0.0001523200000000, 0.0002153400000000 ] - [ 0.0005468900000000, -0.0000706000000000, 0.0001017800000000 ] - [ 0.0003469800000000, -0.0003575200000000, -0.0000503100000000 ] - [ -0.0076379200000000, 0.0004441600000000, -0.0141108300000000 ] - [ -0.0030079500000000, -0.0011620800000000, 0.0004991000000000 ] - [ 0.0002087600000000, 0.0001030500000000, 0.0000378300000000 ] - [ -0.0212549900000000, 0.0227378600000000, 0.0092492800000000 ] - [ -0.0290083300000000, -0.0262498500000000, 0.0092194600000000 ] - [ -0.0005536200000000, -0.0001730000000000, -0.0002194500000000 ] - [ 0.0003853700000000, 0.0000243100000000, -0.0002411400000000 ] - [ 0.0003739200000000, -0.0005135500000000, 0.0005913700000000 ] - [ 0.0001137300000000, -0.0001204900000000, 0.0002827900000000 ] - [ -0.0001023600000000, -0.0000702400000000, 0.0000016300000000 ] - [ -0.0007068600000000, -0.0007140500000000, -0.0006805400000000 ] - [ -0.0010960700000000, -0.0007696200000000, 0.0002764900000000 ] - [ 0.0000568600000000, -0.0000339800000000, 0.0000125900000000 ] - [ 0.0000069000000000, 0.0004268000000000, 0.0005911200000000 ] - [ -0.0004936500000000, -0.0000993400000000, -0.0000971000000000 ] - [ 0.0000676700000000, -0.0002599400000000, -0.0005214100000000 ] - [ 0.0004943800000000, -0.0001025900000000, 0.0000582700000000 ] - [ 0.0001022600000000, 0.0001518600000000, -0.0000380700000000 ] - [ -0.0002707400000000, -0.0000163000000000, -0.0006711500000000 ] - [ -0.0001026900000000, -0.0003339900000000, 0.0004710800000000 ] - [ -0.0001663500000000, -0.0000188900000000, 0.0002149100000000 ] - [ -0.0002597400000000, -0.0000667300000000, 0.0001451700000000 ] - [ 0.0709269400000000, 0.0057455600000000, -0.0128533200000000 ] - [ -0.0005230800000000, 0.0007108100000000, 0.0000904500000000 ] - [ 0.0000439700000000, 0.0001439200000000, -0.0003081600000000 ] - [ -0.0000946400000000, -0.0002113100000000, 0.0001335800000000 ] - [ 0.0006715800000000, -0.0037636500000000, 0.0006602800000000 ] - [ -0.0011464200000000, 0.0005742000000000, 0.0003046300000000 ] - [ -0.0033113000000000, 0.0051378700000000, 0.0004729100000000 ] - [ -0.0012127200000000, -0.0002557500000000, -0.0002748600000000 ] - [ -0.0027140800000000, -0.0015439000000000, 0.0000469300000000 ] - [ 0.0003627700000000, -0.0008933800000000, 0.0047970200000000 ] - [ 0.0004745900000000, 0.0000460200000000, -0.0001677200000000 ] - [ -0.0007854000000000, 0.0002546700000000, -0.0030735500000000 ] - [ 0.0005112700000000, -0.0002339800000000, -0.0000040100000000 ] - [ -0.0062622900000000, -0.0048749400000000, 0.0001578000000000 ] - [ -0.0005783000000000, 0.0000397900000000, -0.0000420000000000 ] - [ -0.0005566400000000, 0.0004136600000000, -0.0003415100000000 ] - [ 0.0000930800000000, -0.0001443200000000, -0.0002251000000000 ] - [ -0.0001749600000000, 0.0003047400000000, -0.0002319700000000 ] - [ 0.0006036800000000, 0.0006007000000000, 0.0001577300000000 ] - [ -0.0000425100000000, 0.0001081000000000, 0.0003367600000000 ] - [ 0.0006650400000000, 0.0008730500000000, 0.0039990500000000 ] - [ -0.0002515200000000, 0.0003687300000000, -0.0006823600000000 ] - [ -0.0001514800000000, 0.0001068400000000, 0.0002036100000000 ] - [ 0.0003371600000000, -0.0001901200000000, 0.0003087600000000 ] - [ -0.0000220500000000, 0.0003525100000000, 0.0001648300000000 ] - [ -0.0001870800000000, 0.0007518500000000, 0.0000510700000000 ] - [ 0.0014973400000000, 0.0024672000000000, 0.0002421100000000 ] - [ 0.0003096500000000, -0.0000050700000000, 0.0002564300000000 ] - [ -0.0002128900000000, -0.0002654900000000, -0.0002599700000000 ] - [ -0.0000552300000000, 0.0000859900000000, 0.0002927000000000 ] - [ 0.0001135200000000, 0.0001561500000000, 0.0002502500000000 ] - [ -0.0001929200000000, -0.0001995800000000, 0.0001636000000000 ] - [ 0.0000629300000000, -0.0001229400000000, -0.0000527700000000 ] - [ -0.0000483700000000, -0.0001440300000000, 0.0000726500000000 ] - [ -0.0002330400000000, -0.0005858600000000, -0.0001449200000000 ] - [ 0.0001600700000000, -0.0002620200000000, -0.0001758300000000 ] - [ -0.0006219000000000, -0.0005076300000000, -0.0001803600000000 ] - [ -0.0005229800000000, -0.0000197600000000, -0.0000138600000000 ] - [ 0.0001810500000000, -0.0002150900000000, 0.0002272500000000 ] - [ -0.0001724600000000, 0.0003292100000000, -0.0002265300000000 ] - [ 0.0004963600000000, -0.0000371200000000, 0.0000111500000000 ] - [ 0.0006619300000000, 0.0001514400000000, -0.0000749100000000 ] - [ -0.0000437400000000, 0.0000531800000000, -0.0001136100000000 ] - [ -0.0002472900000000, -0.0000889800000000, 0.0002555400000000 ] - [ 0.0000848400000000, 0.0000206300000000, -0.0003166600000000 ] - [ 0.0000095600000000, 0.0003955200000000, -0.0001610500000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013942300000000, 0.0018620200000000, -0.0008783400000000 ] - [ -0.0003180900000000, -0.0009047500000000, 0.0000165500000000 ] - [ -0.0011193500000000, 0.0019046500000000, 0.0012434000000000 ] - [ -0.0019967300000000, -0.0007305900000000, 0.0000521700000000 ] - [ -0.0014173800000000, -0.0014619900000000, -0.0013733400000000 ] - [ 0.0002056700000000, 0.0031778200000000, -0.0000876800000000 ] - [ 0.0004137800000000, -0.0007974800000000, 0.0004279300000000 ] - [ -0.0006677900000000, -0.0004585100000000, -0.0009243300000000 ] - [ -0.0001245100000000, -0.0011044200000000, -0.0001372200000000 ] - [ -0.0002142900000000, -0.0013556400000000, -0.0001818200000000 ] - [ -0.0003747100000000, -0.0006750000000000, 0.0000589700000000 ] - [ 0.0000833300000000, -0.0009404300000000, 0.0000228800000000 ] - [ -0.0002110400000000, -0.0012215500000000, 0.0001461900000000 ] - [ -0.0000972700000000, 0.0020060100000000, 0.0000795300000000 ] - [ 0.0001642700000000, -0.0006532200000000, 0.0001166300000000 ] - [ -0.0004340800000000, -0.0006186500000000, -0.0002981200000000 ] - [ 0.0001167300000000, 0.0133648100000000, -0.0031605100000000 ] - [ 0.0019608300000000, -0.0009535400000000, 0.0016877400000000 ] - [ -0.0008351600000000, 0.0011376400000000, 0.0003152700000000 ] - [ -0.0215566700000000, 0.0393241600000000, 0.0138905900000000 ] - [ 0.0236094600000000, 0.0322145200000000, -0.0086614800000000 ] - [ 0.0004200300000000, -0.0009868200000000, -0.0002934600000000 ] - [ -0.0003731600000000, 0.0004431500000000, -0.0001137800000000 ] - [ 0.0003488700000000, 0.0010587500000000, 0.0000768500000000 ] - [ -0.0011986600000000, 0.0004570100000000, -0.0002946600000000 ] - [ -0.0001930900000000, -0.0010909400000000, 0.0000064500000000 ] - [ -0.0003432500000000, -0.0011505800000000, -0.0022904600000000 ] - [ -0.0025047600000000, -0.0026911500000000, 0.0012623000000000 ] - [ 0.0000691400000000, -0.0008472000000000, 0.0000048300000000 ] - [ 0.0000735100000000, -0.0003864600000000, 0.0006772500000000 ] - [ -0.0004103300000000, -0.0011115700000000, -0.0001186000000000 ] - [ 0.0002477900000000, -0.0012114600000000, -0.0003374600000000 ] - [ 0.0003391000000000, -0.0008969500000000, 0.0000301900000000 ] - [ -0.0002229600000000, -0.0000787500000000, 0.0001765300000000 ] - [ -0.0004753100000000, -0.0010655800000000, -0.0013849400000000 ] - [ -0.0003499200000000, -0.0014053000000000, 0.0003364300000000 ] - [ -0.0000869800000000, 0.0009761900000000, 0.0001972400000000 ] - [ 0.0007704300000000, -0.0006273800000000, 0.0003242200000000 ] - [ -0.0041426500000000, -0.1083260100000000, -0.0021297500000000 ] - [ -0.0002635700000000, 0.0005488300000000, 0.0000179600000000 ] - [ 0.0002166700000000, 0.0007005300000000, -0.0002576800000000 ] - [ 0.0001256500000000, -0.0000416400000000, 0.0002302000000000 ] - [ -0.0003440200000000, 0.0082996700000000, -0.0000608200000000 ] - [ -0.0007533400000000, -0.0005368800000000, 0.0005780200000000 ] - [ -0.0049817700000000, 0.0023069500000000, 0.0006312800000000 ] - [ -0.0002366400000000, -0.0016421100000000, 0.0000478400000000 ] - [ 0.0030689100000000, -0.0003922700000000, 0.0000005500000000 ] - [ -0.0003723600000000, 0.0005964100000000, -0.0027198700000000 ] - [ -0.0003892600000000, 0.0009057400000000, -0.0000558000000000 ] - [ -0.0001726500000000, -0.0032779600000000, -0.0007714500000000 ] - [ 0.0005490200000000, 0.0013419000000000, 0.0000332700000000 ] - [ 0.0049088000000000, 0.0007147800000000, -0.0005991700000000 ] - [ -0.0002487500000000, 0.0005243300000000, 0.0000746400000000 ] - [ -0.0002509800000000, -0.0004323700000000, -0.0003509800000000 ] - [ 0.0008218700000000, -0.0008749300000000, 0.0001944500000000 ] - [ 0.0008018900000000, 0.0006457200000000, 0.0000161500000000 ] - [ -0.0002016800000000, 0.0004163500000000, -0.0005138600000000 ] - [ -0.0001393100000000, 0.0008606500000000, 0.0002862500000000 ] - [ 0.0009693800000000, 0.0016670300000000, 0.0035975500000000 ] - [ 0.0000254900000000, -0.0009033900000000, -0.0002676800000000 ] - [ -0.0000021900000000, 0.0005140100000000, 0.0001965600000000 ] - [ 0.0003584400000000, 0.0005252700000000, 0.0004613100000000 ] - [ -0.0000134700000000, 0.0011081700000000, 0.0001533700000000 ] - [ -0.0006213100000000, 0.0023910300000000, 0.0000466400000000 ] - [ 0.0031498800000000, 0.0097815600000000, -0.0003598400000000 ] - [ 0.0003388100000000, 0.0004412000000000, 0.0003959000000000 ] - [ -0.0000865300000000, 0.0004149700000000, -0.0003648100000000 ] - [ -0.0000796500000000, 0.0009413700000000, 0.0003260700000000 ] - [ 0.0001648800000000, 0.0007774900000000, 0.0001418400000000 ] - [ -0.0001530200000000, 0.0006703700000000, 0.0001902000000000 ] - [ -0.0001515400000000, 0.0006018400000000, 0.0000413400000000 ] - [ 0.0001513500000000, 0.0004559700000000, -0.0000083400000000 ] - [ 0.0002574200000000, -0.0000976500000000, -0.0001340300000000 ] - [ 0.0001568000000000, 0.0003111000000000, -0.0001935000000000 ] - [ 0.0013802100000000, 0.0001632600000000, 0.0002477500000000 ] - [ -0.0003662000000000, 0.0005795400000000, 0.0000254000000000 ] - [ 0.0002900800000000, 0.0001328300000000, 0.0004968800000000 ] - [ -0.0002858300000000, 0.0010462200000000, -0.0000884200000000 ] - [ 0.0004755500000000, 0.0007071100000000, 0.0000085900000000 ] - [ 0.0010666000000000, 0.0010226700000000, -0.0000354200000000 ] - [ 0.0001000700000000, 0.0003943500000000, -0.0001699000000000 ] - [ 0.0000084100000000, -0.0003635700000000, 0.0004748700000000 ] - [ 0.0001230300000000, 0.0006524400000000, -0.0002949000000000 ] - [ 0.0000558400000000, 0.0012263200000000, -0.0001526100000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013967400000000, -0.0010528400000000, 0.0008710700000000 ] - [ 0.0003179700000000, 0.0010112900000000, -0.0000161200000000 ] - [ 0.0011126000000000, -0.0020198300000000, -0.0012445700000000 ] - [ 0.0019992100000000, -0.0000520900000000, -0.0000452500000000 ] - [ 0.0014120600000000, 0.0013553700000000, 0.0013633400000000 ] - [ -0.0002154300000000, -0.0030694800000000, 0.0000929400000000 ] - [ -0.0004152100000000, 0.0015910200000000, -0.0004289400000000 ] - [ 0.0006662700000000, 0.0005565400000000, 0.0009204500000000 ] - [ 0.0001239900000000, 0.0009992200000000, 0.0001369600000000 ] - [ 0.0002141300000000, 0.0005617800000000, 0.0001815800000000 ] - [ 0.0003759300000000, 0.0005691400000000, -0.0000609400000000 ] - [ -0.0000838200000000, 0.0010441100000000, -0.0000218100000000 ] - [ -0.0006102900000000, 0.0012988900000000, -0.0002607100000000 ] - [ 0.0001057600000000, -0.0020209700000000, -0.0000808000000000 ] - [ 0.0006569700000000, 0.0007303400000000, 0.0000026500000000 ] - [ 0.0004221500000000, 0.0006347200000000, 0.0002925000000000 ] - [ -0.0001392700000000, -0.0134060100000000, 0.0032685900000000 ] - [ -0.0019202100000000, 0.0015088100000000, -0.0006436700000000 ] - [ 0.0000070400000000, -0.0012134500000000, -0.0004347100000000 ] - [ 0.0204880600000000, -0.0385041100000000, -0.0140943300000000 ] - [ -0.0239110300000000, -0.0333109400000000, 0.0093227500000000 ] - [ -0.0004103100000000, 0.0010029700000000, 0.0003007100000000 ] - [ 0.0003469200000000, 0.0001160700000000, -0.0009239200000000 ] - [ -0.0003253200000000, -0.0016157800000000, 0.0009665200000000 ] - [ 0.0003702400000000, -0.0003804400000000, 0.0001795900000000 ] - [ 0.0002041300000000, 0.0010755500000000, -0.0000033500000000 ] - [ 0.0011615500000000, 0.0012208700000000, 0.0024213800000000 ] - [ 0.0025094100000000, 0.0027102400000000, -0.0012758200000000 ] - [ -0.0000797100000000, 0.0008303100000000, -0.0000112400000000 ] - [ -0.0000462300000000, 0.0009412400000000, 0.0003637600000000 ] - [ -0.0004125100000000, 0.0010360000000000, -0.0000008300000000 ] - [ -0.0002747900000000, 0.0006554800000000, -0.0007026300000000 ] - [ 0.0004854300000000, 0.0008203500000000, 0.0000854200000000 ] - [ 0.0002320900000000, 0.0000952300000000, -0.0001690900000000 ] - [ 0.0004498300000000, 0.0016209300000000, 0.0003475000000000 ] - [ 0.0003772200000000, 0.0008503100000000, 0.0007030300000000 ] - [ -0.0003730400000000, -0.0004280100000000, 0.0001070700000000 ] - [ -0.0003387400000000, 0.0002106300000000, 0.0001918400000000 ] - [ 0.0062850900000000, 0.1086656300000000, 0.0009246700000000 ] - [ 0.0001680500000000, -0.0002411400000000, 0.0000842800000000 ] - [ -0.0000180800000000, -0.0006500900000000, -0.0003600100000000 ] - [ -0.0001278300000000, -0.0006444100000000, 0.0000989800000000 ] - [ -0.0000686600000000, -0.0085509600000000, -0.0004593400000000 ] - [ 0.0005762000000000, 0.0004684200000000, 0.0000284900000000 ] - [ 0.0053550900000000, -0.0018803400000000, -0.0001097500000000 ] - [ -0.0002070700000000, 0.0010906800000000, 0.0002656400000000 ] - [ -0.0029408800000000, 0.0000868500000000, -0.0001071100000000 ] - [ 0.0002876000000000, -0.0008945900000000, 0.0028147100000000 ] - [ 0.0003809700000000, -0.0015964800000000, -0.0002684500000000 ] - [ 0.0006444400000000, 0.0027157200000000, 0.0004920500000000 ] - [ 0.0003437100000000, -0.0012766000000000, -0.0000488300000000 ] - [ -0.0058008100000000, -0.0007676300000000, 0.0006302100000000 ] - [ -0.0006354800000000, -0.0004632600000000, -0.0000554900000000 ] - [ -0.0001780200000000, 0.0008451300000000, -0.0001662400000000 ] - [ 0.0000735700000000, 0.0008156100000000, -0.0002084700000000 ] - [ -0.0003393900000000, -0.0000952300000000, -0.0003210700000000 ] - [ 0.0002944900000000, -0.0001112200000000, 0.0004064500000000 ] - [ -0.0000550100000000, -0.0008023200000000, 0.0003207700000000 ] - [ -0.0007688000000000, -0.0017250700000000, -0.0042093300000000 ] - [ -0.0000288600000000, 0.0015942600000000, -0.0000592600000000 ] - [ -0.0004544900000000, 0.0000385500000000, 0.0001095300000000 ] - [ 0.0000715400000000, -0.0009408200000000, 0.0000538000000000 ] - [ 0.0000212800000000, -0.0004186400000000, 0.0001716400000000 ] - [ 0.0005327200000000, -0.0020982800000000, 0.0000563800000000 ] - [ -0.0029642200000000, -0.0098951000000000, -0.0002458500000000 ] - [ -0.0003353600000000, -0.0011253400000000, -0.0000664100000000 ] - [ -0.0003463900000000, -0.0008250600000000, -0.0001550300000000 ] - [ -0.0001186000000000, -0.0009952200000000, 0.0002911300000000 ] - [ 0.0002647300000000, -0.0003578500000000, 0.0003706100000000 ] - [ -0.0003052400000000, -0.0012222100000000, 0.0001155100000000 ] - [ 0.0002465700000000, -0.0009088800000000, -0.0001425300000000 ] - [ -0.0002447400000000, -0.0007621000000000, 0.0001148200000000 ] - [ -0.0002493500000000, -0.0005835300000000, -0.0002013800000000 ] - [ 0.0003021000000000, -0.0008622900000000, -0.0001117900000000 ] - [ -0.0004953300000000, -0.0000991700000000, -0.0002679900000000 ] - [ -0.0005280000000000, -0.0006406300000000, -0.0000111500000000 ] - [ -0.0011812600000000, -0.0000671700000000, -0.0004823100000000 ] - [ -0.0001458700000000, -0.0006322300000000, -0.0004291200000000 ] - [ 0.0004079100000000, -0.0007687100000000, -0.0000275800000000 ] - [ -0.0006123900000000, -0.0004706400000000, -0.0002703700000000 ] - [ -0.0000058400000000, -0.0000884700000000, 0.0000739600000000 ] - [ -0.0002045700000000, 0.0004211800000000, 0.0001483800000000 ] - [ 0.0000719500000000, -0.0007124300000000, -0.0003103000000000 ] - [ -0.0000537600000000, -0.0005414000000000, -0.0001777600000000 ]- atom: 39 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ -0.0000379500000000, 0.0018921300000000, -0.0009165200000000 ] - [ 0.0000001200000000, 0.0000455800000000, -0.0000185400000000 ] - [ -0.0000462300000000, -0.0014119500000000, -0.0008552500000000 ] - [ -0.0007272400000000, -0.0014296300000000, -0.0004070500000000 ] - [ 0.0001047200000000, 0.0000621000000000, 0.0001888900000000 ] - [ -0.0004092300000000, -0.0000022900000000, 0.0009735500000000 ] - [ 0.0000434300000000, 0.0003641800000000, 0.0000545200000000 ] - [ 0.0001325600000000, 0.0006785900000000, 0.0005459300000000 ] - [ 0.0000120300000000, -0.0000436300000000, 0.0000192900000000 ] - [ -0.0000036100000000, -0.0003865600000000, 0.0000023400000000 ] - [ -0.0000364300000000, 0.0000156800000000, -0.0000094600000000 ] - [ 0.0000061900000000, 0.0000502000000000, -0.0000021300000000 ] - [ -0.0005675700000000, -0.0000173200000000, -0.0000331100000000 ] - [ -0.0004421100000000, -0.0001166000000000, -0.0003427100000000 ] - [ 0.0004220500000000, 0.0000387700000000, 0.0000702300000000 ] - [ 0.0000406000000000, -0.0000653500000000, -0.0000332900000000 ] - [ 0.0109604400000000, -0.0028191700000000, 0.0390914700000000 ] - [ -0.0011440100000000, -0.0002011400000000, 0.0007133500000000 ] - [ -0.0005184000000000, 0.0001323700000000, -0.0000798300000000 ] - [ -0.0169251500000000, 0.0173612200000000, 0.0122622600000000 ] - [ -0.0175656000000000, -0.0137325900000000, 0.0111982000000000 ] - [ 0.0000227600000000, -0.0000357600000000, -0.0001346800000000 ] - [ 0.0000339200000000, 0.0004050800000000, -0.0003914400000000 ] - [ -0.0001216200000000, -0.0005210000000000, 0.0005191000000000 ] - [ -0.0002625500000000, -0.0001668700000000, 0.0000014800000000 ] - [ -0.0000344800000000, -0.0000292300000000, 0.0000041500000000 ] - [ 0.0012918900000000, 0.0013660600000000, 0.0002224300000000 ] - [ -0.0004356600000000, -0.0000849400000000, 0.0002922200000000 ] - [ 0.0000031700000000, -0.0000058900000000, -0.0000010500000000 ] - [ 0.0000167400000000, 0.0003043600000000, 0.0005277500000000 ] - [ -0.0004181900000000, -0.0000525600000000, -0.0000788700000000 ] - [ 0.0000043200000000, -0.0002718000000000, -0.0005158300000000 ] - [ 0.0004337400000000, -0.0000431700000000, 0.0000613000000000 ] - [ 0.0000494400000000, -0.0000121100000000, -0.0000118100000000 ] - [ -0.0000109200000000, 0.0002987000000000, -0.0006401900000000 ] - [ -0.0000056100000000, -0.0002874100000000, 0.0005085900000000 ] - [ -0.0002495400000000, 0.0003671200000000, 0.0001811200000000 ] - [ 0.0002687800000000, -0.0002426200000000, 0.0002056800000000 ] - [ 0.0353603000000000, 0.0003944500000000, -0.0959787200000000 ] - [ -0.0001902500000000, 0.0002758200000000, 0.0000920600000000 ] - [ 0.0000887200000000, 0.0000308700000000, -0.0003037500000000 ] - [ -0.0000072800000000, -0.0003652200000000, 0.0001628600000000 ] - [ -0.0007048100000000, -0.0021133600000000, 0.0005887500000000 ] - [ -0.0004862900000000, 0.0003872800000000, 0.0003093300000000 ] - [ -0.0012107000000000, 0.0022833400000000, -0.0004216500000000 ] - [ 0.0008934900000000, -0.0001333100000000, 0.0010096400000000 ] - [ -0.0010946800000000, -0.0011309400000000, -0.0000632800000000 ] - [ -0.0024670700000000, 0.0028187500000000, 0.0152715100000000 ] - [ 0.0001498000000000, -0.0001269100000000, -0.0001759600000000 ] - [ 0.0024024600000000, -0.0010589700000000, 0.0038010700000000 ] - [ 0.0004725500000000, -0.0000659500000000, -0.0000127100000000 ] - [ -0.0022711500000000, -0.0021853000000000, -0.0010819000000000 ] - [ -0.0004491900000000, 0.0000243600000000, 0.0000025800000000 ] - [ -0.0000528700000000, 0.0000661800000000, -0.0002797100000000 ] - [ 0.0004640700000000, 0.0001140900000000, -0.0001525100000000 ] - [ 0.0001289100000000, 0.0002836300000000, -0.0001580800000000 ] - [ 0.0000916700000000, 0.0001007100000000, -0.0000273100000000 ] - [ -0.0001000500000000, 0.0000211100000000, 0.0003240200000000 ] - [ -0.0048004900000000, -0.0028868600000000, 0.0121780000000000 ] - [ 0.0004145700000000, 0.0004519900000000, 0.0012044300000000 ] - [ -0.0002570800000000, 0.0002515300000000, 0.0001606300000000 ] - [ 0.0002290800000000, -0.0002097400000000, 0.0002802400000000 ] - [ -0.0000012000000000, 0.0003443900000000, 0.0001627200000000 ] - [ -0.0001280500000000, 0.0004752200000000, 0.0000406400000000 ] - [ 0.0001479100000000, 0.0012561700000000, 0.0002797100000000 ] - [ 0.0000095700000000, -0.0004596900000000, 0.0001946100000000 ] - [ -0.0002238100000000, -0.0002201500000000, -0.0002589500000000 ] - [ -0.0000727800000000, 0.0000266100000000, 0.0003097400000000 ] - [ 0.0001928000000000, 0.0002036400000000, 0.0002559000000000 ] - [ -0.0002182700000000, -0.0002497400000000, 0.0001554000000000 ] - [ 0.0000559000000000, -0.0001497100000000, -0.0000494800000000 ] - [ -0.0000542800000000, -0.0001604400000000, 0.0000505200000000 ] - [ -0.0000862400000000, -0.0003868600000000, -0.0001545800000000 ] - [ 0.0002241000000000, -0.0002751000000000, -0.0001550900000000 ] - [ -0.0000824000000000, -0.0000107800000000, -0.0000691700000000 ] - [ -0.0004533600000000, -0.0000307000000000, 0.0000054000000000 ] - [ -0.0004443700000000, 0.0000625300000000, -0.0000325000000000 ] - [ -0.0002062000000000, 0.0002078700000000, -0.0002482200000000 ] - [ 0.0004515300000000, -0.0000229600000000, -0.0000037500000000 ] - [ 0.0003473300000000, 0.0002177800000000, -0.0001420900000000 ] - [ 0.0000405400000000, 0.0001440500000000, -0.0000577800000000 ] - [ -0.0000964800000000, 0.0000845300000000, 0.0002774700000000 ] - [ 0.0001001600000000, -0.0000317100000000, -0.0003027300000000 ] - [ 0.0000091100000000, 0.0003449800000000, -0.0001593900000000 ]- atom: 39 displacement: [ 0.0032041063292312, 0.0000000000000000, -0.0094727874794582 ] forces: - [ 0.0000300800000000, -0.0011138600000000, 0.0009252100000000 ] - [ 0.0000006300000000, 0.0000660300000000, 0.0000176100000000 ] - [ 0.0000414800000000, 0.0013060000000000, 0.0008652600000000 ] - [ 0.0007282300000000, 0.0006302100000000, 0.0004003700000000 ] - [ -0.0001012800000000, -0.0001589300000000, -0.0001837900000000 ] - [ 0.0004028500000000, 0.0001007300000000, -0.0009813700000000 ] - [ -0.0000452700000000, 0.0004219700000000, -0.0000526800000000 ] - [ -0.0001335800000000, -0.0005743800000000, -0.0005541700000000 ] - [ -0.0000119600000000, -0.0000633400000000, -0.0000182500000000 ] - [ 0.0000020900000000, -0.0003977300000000, -0.0000039400000000 ] - [ 0.0000369300000000, -0.0001087700000000, 0.0000105700000000 ] - [ -0.0000077500000000, 0.0000444000000000, 0.0000032600000000 ] - [ -0.0002782200000000, 0.0000961200000000, -0.0000923500000000 ] - [ 0.0004435200000000, 0.0001059500000000, 0.0003406400000000 ] - [ 0.0004184800000000, 0.0000357100000000, 0.0000542600000000 ] - [ -0.0000502700000000, 0.0000753900000000, 0.0000347600000000 ] - [ -0.0114548300000000, 0.0029866600000000, -0.0412678600000000 ] - [ 0.0011654500000000, 0.0007575100000000, 0.0003130900000000 ] - [ -0.0003256500000000, -0.0002067800000000, -0.0000493600000000 ] - [ 0.0165781300000000, -0.0172915200000000, -0.0132139200000000 ] - [ 0.0180622500000000, 0.0131653900000000, -0.0110725900000000 ] - [ -0.0000155200000000, 0.0000477400000000, 0.0001431900000000 ] - [ -0.0000579000000000, 0.0001497400000000, -0.0006458700000000 ] - [ 0.0001464300000000, -0.0000341800000000, 0.0005054800000000 ] - [ -0.0005808800000000, 0.0002467700000000, -0.0001238500000000 ] - [ 0.0000430900000000, 0.0000192400000000, -0.0000048700000000 ] - [ -0.0004365900000000, -0.0012594600000000, -0.0001009000000000 ] - [ 0.0004188300000000, 0.0000968100000000, -0.0002831500000000 ] - [ -0.0000103300000000, -0.0000056200000000, -0.0000050800000000 ] - [ 0.0000042700000000, 0.0002546800000000, 0.0005057100000000 ] - [ -0.0004135800000000, -0.0000214700000000, -0.0000419200000000 ] - [ -0.0000268800000000, -0.0002844200000000, -0.0005162500000000 ] - [ 0.0004130100000000, -0.0000314100000000, 0.0000613500000000 ] - [ -0.0000400800000000, 0.0000260900000000, 0.0000182900000000 ] - [ -0.0000099200000000, 0.0002601500000000, -0.0003970700000000 ] - [ 0.0000288900000000, -0.0002679500000000, 0.0005266600000000 ] - [ -0.0002185900000000, 0.0001949900000000, 0.0001228700000000 ] - [ 0.0001642300000000, -0.0001648400000000, 0.0003136300000000 ] - [ -0.0342957700000000, -0.0000600400000000, 0.0984045800000000 ] - [ 0.0000873100000000, 0.0000397200000000, 0.0000063500000000 ] - [ 0.0001005900000000, 0.0000288400000000, -0.0003110700000000 ] - [ 0.0000013600000000, -0.0003168700000000, 0.0001632600000000 ] - [ 0.0002715800000000, 0.0016755500000000, -0.0011045700000000 ] - [ 0.0002983200000000, -0.0004493300000000, 0.0003091800000000 ] - [ 0.0016580600000000, -0.0018781600000000, 0.0009267100000000 ] - [ -0.0013497200000000, -0.0004255900000000, -0.0007018000000000 ] - [ 0.0012078300000000, 0.0008177300000000, -0.0000162500000000 ] - [ 0.0023991500000000, -0.0030103900000000, -0.0151674600000000 ] - [ -0.0001490800000000, -0.0005624800000000, -0.0001514900000000 ] - [ -0.0019629400000000, 0.0005090200000000, -0.0041437300000000 ] - [ 0.0004116100000000, 0.0001299800000000, -0.0000020300000000 ] - [ 0.0014084500000000, 0.0021313700000000, 0.0010798600000000 ] - [ -0.0004371300000000, 0.0000411200000000, 0.0000114000000000 ] - [ -0.0003767800000000, 0.0003472900000000, -0.0002342700000000 ] - [ 0.0004234000000000, -0.0001816800000000, 0.0001411000000000 ] - [ 0.0003337600000000, 0.0002761200000000, -0.0001474400000000 ] - [ 0.0000132300000000, 0.0002149700000000, -0.0000709700000000 ] - [ -0.0000889100000000, 0.0000397100000000, 0.0002870200000000 ] - [ 0.0049929000000000, 0.0027010000000000, -0.0128037200000000 ] - [ -0.0004021600000000, 0.0002327600000000, -0.0015102500000000 ] - [ -0.0002089500000000, 0.0003065700000000, 0.0001423400000000 ] - [ 0.0002022700000000, -0.0002014100000000, 0.0002387700000000 ] - [ -0.0000027800000000, 0.0003372700000000, 0.0001681400000000 ] - [ 0.0000225800000000, -0.0001541400000000, 0.0000570600000000 ] - [ 0.0000506200000000, -0.0011649200000000, -0.0008815100000000 ] - [ -0.0000134500000000, -0.0002334400000000, 0.0001341600000000 ] - [ -0.0002095300000000, -0.0001916500000000, -0.0002581900000000 ] - [ -0.0001180900000000, -0.0000837100000000, 0.0003109600000000 ] - [ 0.0002410200000000, 0.0002063700000000, 0.0002632800000000 ] - [ -0.0002475100000000, -0.0003103600000000, 0.0001491400000000 ] - [ 0.0000490000000000, -0.0001684000000000, -0.0000503200000000 ] - [ -0.0000493500000000, -0.0001531200000000, 0.0000443400000000 ] - [ 0.0000948600000000, -0.0002964400000000, -0.0001709400000000 ] - [ 0.0002380000000000, -0.0002841600000000, -0.0001499000000000 ] - [ 0.0009798000000000, 0.0000773600000000, 0.0000573800000000 ] - [ -0.0004258300000000, -0.0000367300000000, 0.0000113400000000 ] - [ -0.0004469600000000, 0.0000007500000000, 0.0000459400000000 ] - [ -0.0002254900000000, 0.0002000400000000, -0.0002703600000000 ] - [ 0.0004326500000000, -0.0000430400000000, -0.0000116600000000 ] - [ 0.0001192100000000, 0.0003412600000000, -0.0001624900000000 ] - [ 0.0000638500000000, 0.0001714300000000, -0.0000411800000000 ] - [ -0.0000931900000000, -0.0000303500000000, 0.0003390400000000 ] - [ 0.0000928400000000, -0.0000278400000000, -0.0003151900000000 ] - [ -0.0000003800000000, 0.0003344000000000, -0.0001675500000000 ]- atom: 40 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ 0.0001455800000000, -0.0060233400000000, 0.0023535200000000 ] - [ -0.0006968000000000, 0.0015888100000000, -0.0012001000000000 ] - [ -0.0002840100000000, 0.0005037400000000, -0.0003069500000000 ] - [ -0.0015055400000000, -0.0018808000000000, -0.0006722300000000 ] - [ -0.0018084200000000, -0.0000145000000000, 0.0009922400000000 ] - [ -0.0004604700000000, 0.0006120200000000, 0.0000827500000000 ] - [ -0.0000629400000000, 0.0006781200000000, -0.0000192000000000 ] - [ -0.0000398700000000, 0.0003952600000000, 0.0000004300000000 ] - [ -0.0001989300000000, 0.0002152700000000, -0.0000728700000000 ] - [ 0.0000695100000000, -0.0001125500000000, 0.0000251100000000 ] - [ 0.0000147300000000, 0.0002593200000000, -0.0000001700000000 ] - [ -0.0001282100000000, 0.0003460600000000, -0.0000945500000000 ] - [ -0.0014686600000000, -0.0015564500000000, 0.0002108200000000 ] - [ 0.0018934100000000, -0.0006612300000000, 0.0003371400000000 ] - [ 0.0009168800000000, 0.0002878200000000, -0.0007640200000000 ] - [ 0.0327166000000000, -0.0326833400000000, -0.0084003300000000 ] - [ -0.0006049600000000, -0.0001078500000000, 0.0000541500000000 ] - [ -0.0012912000000000, -0.0000193800000000, 0.0004856400000000 ] - [ 0.0000735100000000, 0.0000599200000000, -0.0000229500000000 ] - [ -0.0014043800000000, -0.0008476200000000, -0.0013447700000000 ] - [ 0.0001990700000000, 0.0001517800000000, -0.0000213800000000 ] - [ -0.0011680900000000, -0.0004544800000000, -0.0007344900000000 ] - [ 0.0060011500000000, -0.0055149800000000, 0.0096576700000000 ] - [ 0.0031316200000000, -0.0021804300000000, 0.0013200100000000 ] - [ -0.0002003800000000, 0.0002777400000000, -0.0000279300000000 ] - [ -0.0001896000000000, 0.0000394600000000, -0.0000120300000000 ] - [ 0.0003235500000000, 0.0002585100000000, 0.0000696600000000 ] - [ -0.0000125700000000, 0.0002585600000000, -0.0000111000000000 ] - [ 0.0000015600000000, 0.0003044300000000, -0.0001500000000000 ] - [ -0.0000404100000000, 0.0005868900000000, 0.0004554900000000 ] - [ -0.0007922100000000, -0.0002105600000000, -0.0000849900000000 ] - [ -0.0001830900000000, 0.0001618200000000, -0.0004581600000000 ] - [ -0.0001567400000000, 0.0007084300000000, 0.0003835700000000 ] - [ 0.0000512500000000, 0.0002501800000000, 0.0000092800000000 ] - [ 0.0000254300000000, 0.0005458200000000, -0.0004861000000000 ] - [ -0.0000034800000000, -0.0000938700000000, 0.0005704700000000 ] - [ 0.0008464200000000, 0.0003687600000000, 0.0006894200000000 ] - [ 0.0013007600000000, 0.0015861500000000, 0.0041146800000000 ] - [ 0.0004984800000000, 0.0001227400000000, 0.0001763600000000 ] - [ -0.0531748200000000, 0.0524933500000000, -0.0014257400000000 ] - [ 0.0003827800000000, -0.0026040100000000, -0.0008531900000000 ] - [ -0.0003932900000000, -0.0000042500000000, -0.0025004900000000 ] - [ 0.0012081400000000, 0.0004722900000000, 0.0001444500000000 ] - [ -0.0004120000000000, -0.0000955600000000, 0.0002842600000000 ] - [ 0.0037114300000000, -0.0006007500000000, 0.0006534900000000 ] - [ -0.0008797300000000, -0.0023858800000000, -0.0003215200000000 ] - [ -0.0001996500000000, 0.0014407100000000, -0.0003521000000000 ] - [ 0.0003685700000000, 0.0002553400000000, 0.0002283400000000 ] - [ 0.0027904900000000, 0.0026953600000000, -0.0004444000000000 ] - [ 0.0006039300000000, -0.0004871200000000, -0.0000396700000000 ] - [ 0.0027264800000000, -0.0000111900000000, 0.0003873800000000 ] - [ -0.0002822900000000, -0.0002503000000000, 0.0000547600000000 ] - [ -0.0004758400000000, -0.0003337900000000, 0.0001666200000000 ] - [ -0.0015045200000000, -0.0014511500000000, -0.0046668300000000 ] - [ 0.0003608000000000, -0.0003793100000000, -0.0000257800000000 ] - [ 0.0076087200000000, -0.0038869900000000, -0.0000501500000000 ] - [ 0.0010764000000000, 0.0008937700000000, 0.0017198900000000 ] - [ 0.0002246800000000, 0.0003745700000000, 0.0003486500000000 ] - [ 0.0002113400000000, -0.0001473000000000, -0.0002800400000000 ] - [ -0.0005731700000000, 0.0005874500000000, -0.0003128400000000 ] - [ -0.0002309800000000, 0.0000657500000000, 0.0001593900000000 ] - [ 0.0002266200000000, -0.0003586000000000, 0.0002362200000000 ] - [ 0.0001603700000000, -0.0002379200000000, 0.0001351500000000 ] - [ 0.0000293400000000, -0.0000385900000000, 0.0000469800000000 ] - [ 0.0001536800000000, -0.0001803900000000, -0.0003025700000000 ] - [ 0.0000164900000000, -0.0005363800000000, 0.0001633500000000 ] - [ -0.0002626000000000, -0.0005164300000000, -0.0002276000000000 ] - [ 0.0003018600000000, 0.0000961900000000, 0.0003093100000000 ] - [ 0.0002167900000000, -0.0000344200000000, 0.0002925200000000 ] - [ -0.0001228300000000, -0.0004339800000000, 0.0001749400000000 ] - [ 0.0000686000000000, -0.0002178500000000, -0.0000846100000000 ] - [ -0.0001268800000000, -0.0003522200000000, 0.0000614800000000 ] - [ -0.0000329900000000, -0.0005352600000000, -0.0001670900000000 ] - [ 0.0003042600000000, -0.0005053300000000, -0.0001130300000000 ] - [ 0.0004087800000000, -0.0003395100000000, -0.0000119500000000 ] - [ -0.0002722800000000, -0.0004479200000000, 0.0000190000000000 ] - [ -0.0004176500000000, -0.0001672000000000, 0.0000129500000000 ] - [ -0.0001442900000000, 0.0000183300000000, -0.0002778100000000 ] - [ 0.0006695200000000, -0.0001455400000000, 0.0000527200000000 ] - [ 0.0002103000000000, 0.0001000300000000, -0.0001649900000000 ] - [ -0.0000182100000000, -0.0000271700000000, -0.0000346500000000 ] - [ -0.0001863900000000, -0.0001000400000000, 0.0002897400000000 ] - [ 0.0000882600000000, -0.0001710600000000, -0.0002414100000000 ] - [ 0.0000732500000000, 0.0002839900000000, -0.0001472200000000 ]- atom: 40 displacement: [ -0.0099999882766160, 0.0000000000000000, -0.0000153123330198 ] forces: - [ -0.0001781700000000, 0.0067581300000000, -0.0023090700000000 ] - [ 0.0006928700000000, -0.0014912100000000, 0.0012049200000000 ] - [ 0.0002861900000000, -0.0006081600000000, 0.0003082200000000 ] - [ 0.0014995800000000, 0.0010951700000000, 0.0006752600000000 ] - [ 0.0018038600000000, -0.0000857700000000, -0.0010023700000000 ] - [ 0.0004650300000000, -0.0005065900000000, -0.0000789700000000 ] - [ 0.0000621400000000, 0.0001115400000000, 0.0000203700000000 ] - [ 0.0000404700000000, -0.0002916800000000, 0.0000007300000000 ] - [ 0.0001973800000000, -0.0003208700000000, 0.0000708700000000 ] - [ -0.0000691400000000, -0.0006778800000000, -0.0000255200000000 ] - [ -0.0000134800000000, -0.0003678100000000, 0.0000003600000000 ] - [ 0.0001268700000000, -0.0002402100000000, 0.0000958000000000 ] - [ 0.0006365100000000, 0.0016243500000000, -0.0003197500000000 ] - [ -0.0018943100000000, 0.0006386300000000, -0.0003411700000000 ] - [ -0.0000918200000000, -0.0002061800000000, 0.0008863400000000 ] - [ -0.0332612300000000, 0.0339052200000000, 0.0088220300000000 ] - [ 0.0006033800000000, 0.0000918400000000, -0.0000509700000000 ] - [ 0.0013209500000000, 0.0005800000000000, 0.0005550100000000 ] - [ -0.0009116400000000, -0.0001358600000000, -0.0001000000000000 ] - [ 0.0013794600000000, 0.0002857700000000, 0.0002993100000000 ] - [ 0.0006361700000000, -0.0002236000000000, 0.0001362700000000 ] - [ 0.0011762600000000, 0.0004723300000000, 0.0007393600000000 ] - [ -0.0058957100000000, 0.0061287900000000, -0.0103860300000000 ] - [ -0.0031098700000000, 0.0016137500000000, -0.0002867200000000 ] - [ -0.0006399400000000, -0.0002034100000000, -0.0000926500000000 ] - [ 0.0001935600000000, -0.0000578900000000, 0.0000101300000000 ] - [ 0.0005170400000000, -0.0001828000000000, 0.0000558500000000 ] - [ 0.0000083600000000, -0.0002440200000000, 0.0000123700000000 ] - [ -0.0000080900000000, -0.0003192000000000, 0.0001487300000000 ] - [ 0.0000656800000000, -0.0000266000000000, 0.0005800800000000 ] - [ -0.0000471600000000, 0.0001325500000000, -0.0000408900000000 ] - [ 0.0001572000000000, -0.0007227100000000, -0.0005796900000000 ] - [ 0.0009908000000000, -0.0007794700000000, -0.0002640100000000 ] - [ -0.0000463200000000, -0.0002348500000000, -0.0000072600000000 ] - [ -0.0000513200000000, 0.0000116100000000, -0.0005524300000000 ] - [ 0.0000290200000000, -0.0004682000000000, 0.0004649400000000 ] - [ -0.0012761200000000, 0.0001947800000000, -0.0003771300000000 ] - [ -0.0008986600000000, -0.0019988600000000, -0.0036131200000000 ] - [ -0.0004936300000000, 0.0005524600000000, 0.0001415700000000 ] - [ 0.0535594900000000, -0.0534618100000000, 0.0007592800000000 ] - [ -0.0001795700000000, 0.0026623900000000, 0.0002400800000000 ] - [ 0.0003945700000000, -0.0006736500000000, 0.0028658200000000 ] - [ -0.0016156000000000, -0.0008690500000000, -0.0006594300000000 ] - [ 0.0002230500000000, 0.0000355300000000, 0.0003310200000000 ] - [ -0.0032654400000000, 0.0009804900000000, -0.0001386700000000 ] - [ 0.0004372100000000, 0.0018349700000000, 0.0006306100000000 ] - [ 0.0002880300000000, -0.0017492900000000, 0.0002334900000000 ] - [ -0.0004669300000000, -0.0005549900000000, -0.0001068800000000 ] - [ -0.0027370000000000, -0.0033202800000000, 0.0001073900000000 ] - [ -0.0001730600000000, -0.0000781100000000, -0.0002722900000000 ] - [ -0.0017975100000000, 0.0000840100000000, -0.0003924600000000 ] - [ -0.0006484800000000, 0.0001844600000000, -0.0000531700000000 ] - [ -0.0004415100000000, 0.0003993300000000, -0.0001606100000000 ] - [ 0.0010728100000000, 0.0018373600000000, 0.0041436700000000 ] - [ 0.0005608100000000, 0.0003148900000000, 0.0000222500000000 ] - [ -0.0072845800000000, 0.0045048400000000, -0.0002730500000000 ] - [ -0.0009729300000000, -0.0005920000000000, -0.0018260100000000 ] - [ -0.0004110900000000, -0.0003097800000000, 0.0002648400000000 ] - [ -0.0000248100000000, 0.0000864200000000, -0.0003263600000000 ] - [ 0.0005768300000000, 0.0000898800000000, -0.0000112200000000 ] - [ -0.0002014900000000, 0.0005007800000000, 0.0001541000000000 ] - [ 0.0001864200000000, -0.0000361300000000, 0.0002831000000000 ] - [ -0.0001627200000000, 0.0009166300000000, 0.0001898200000000 ] - [ -0.0001280500000000, 0.0003398600000000, 0.0000644100000000 ] - [ 0.0000382200000000, 0.0002343200000000, -0.0003204600000000 ] - [ -0.0000238200000000, -0.0001385200000000, 0.0001646100000000 ] - [ -0.0001490400000000, 0.0001169300000000, -0.0002889300000000 ] - [ -0.0004889600000000, -0.0001516200000000, 0.0003094200000000 ] - [ 0.0001956000000000, 0.0004324200000000, 0.0002245200000000 ] - [ -0.0003098100000000, -0.0001314600000000, 0.0001373900000000 ] - [ 0.0000305400000000, -0.0000809700000000, -0.0000320600000000 ] - [ 0.0000289300000000, 0.0000520200000000, 0.0000518600000000 ] - [ 0.0000357500000000, -0.0001388700000000, -0.0001596500000000 ] - [ 0.0001290400000000, -0.0000596900000000, -0.0001997400000000 ] - [ 0.0005167000000000, 0.0004089300000000, 0.0000076600000000 ] - [ -0.0006483500000000, 0.0003811900000000, -0.0000149500000000 ] - [ -0.0005044000000000, 0.0002338200000000, -0.0000090600000000 ] - [ -0.0002650900000000, 0.0003832900000000, -0.0002359900000000 ] - [ 0.0002541800000000, 0.0000796800000000, -0.0000559100000000 ] - [ 0.0002233500000000, 0.0004661000000000, -0.0001476600000000 ] - [ 0.0001158600000000, 0.0003259400000000, -0.0000796000000000 ] - [ -0.0000022200000000, 0.0001620600000000, 0.0003283900000000 ] - [ 0.0001006400000000, 0.0001057800000000, -0.0003726300000000 ] - [ -0.0000677600000000, 0.0003888500000000, -0.0001777600000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0049712500000000, 0.0130445800000000, -0.0071116100000000 ] - [ 0.0007109400000000, -0.0001283500000000, 0.0008485500000000 ] - [ 0.0005955900000000, -0.0012547900000000, 0.0006729200000000 ] - [ 0.0002389300000000, 0.0019164400000000, 0.0004316600000000 ] - [ 0.0010763200000000, 0.0018126800000000, -0.0010145500000000 ] - [ 0.0010122000000000, -0.0007860800000000, -0.0001355800000000 ] - [ 0.0001373100000000, -0.0004065300000000, 0.0000248100000000 ] - [ 0.0001105200000000, -0.0008237600000000, -0.0000034700000000 ] - [ 0.0004493500000000, -0.0004006500000000, -0.0000939600000000 ] - [ -0.0001929900000000, -0.0012866200000000, -0.0000443600000000 ] - [ -0.0000429300000000, -0.0009732500000000, -0.0000205600000000 ] - [ 0.0002794600000000, -0.0006442500000000, 0.0002344000000000 ] - [ 0.0005757800000000, 0.0006016900000000, 0.0001839700000000 ] - [ -0.0021027500000000, -0.0007409300000000, -0.0006261200000000 ] - [ 0.0010804700000000, -0.0006125100000000, 0.0027955800000000 ] - [ -0.0360770000000000, 0.0408294100000000, 0.0114772400000000 ] - [ 0.0007528100000000, -0.0001214700000000, -0.0001159500000000 ] - [ 0.0007352400000000, 0.0024352100000000, 0.0007121800000000 ] - [ -0.0008276000000000, -0.0008073500000000, -0.0000105600000000 ] - [ 0.0015132700000000, 0.0004936600000000, 0.0002008800000000 ] - [ 0.0007574400000000, -0.0006438000000000, 0.0001814600000000 ] - [ 0.0008865100000000, 0.0015711200000000, -0.0002497900000000 ] - [ -0.0047040300000000, 0.0102654800000000, -0.0005889900000000 ] - [ -0.0029490500000000, 0.0005675000000000, 0.0004073800000000 ] - [ -0.0005954300000000, -0.0008909600000000, -0.0001096200000000 ] - [ 0.0001776100000000, -0.0003348000000000, 0.0000453700000000 ] - [ 0.0005407100000000, -0.0006470000000000, 0.0000268600000000 ] - [ -0.0000406800000000, -0.0007350800000000, 0.0000019300000000 ] - [ 0.0003381400000000, -0.0010825600000000, 0.0006198900000000 ] - [ 0.0003274000000000, -0.0006841500000000, 0.0007205700000000 ] - [ -0.0000222700000000, 0.0000175300000000, -0.0002359400000000 ] - [ 0.0007511200000000, -0.0017297900000000, -0.0007360600000000 ] - [ 0.0033013500000000, -0.0024978500000000, -0.0015092000000000 ] - [ 0.0000554900000000, -0.0008386400000000, -0.0000007900000000 ] - [ -0.0001946900000000, -0.0005175800000000, -0.0006267900000000 ] - [ -0.0000660000000000, -0.0009005200000000, 0.0002810700000000 ] - [ -0.0007910400000000, -0.0005572100000000, -0.0000716700000000 ] - [ 0.0015685100000000, -0.0030005900000000, 0.0008335900000000 ] - [ -0.0005662200000000, 0.0007365100000000, 0.0000999200000000 ] - [ 0.0534492700000000, -0.0816255600000000, -0.0053029000000000 ] - [ -0.0036167400000000, 0.0110814500000000, 0.0000283400000000 ] - [ -0.0007499500000000, 0.0003995600000000, -0.0031485500000000 ] - [ -0.0011265700000000, -0.0014861300000000, -0.0003500600000000 ] - [ 0.0002165800000000, 0.0006349800000000, 0.0003125800000000 ] - [ -0.0036014900000000, 0.0003026900000000, -0.0002417300000000 ] - [ -0.0002244500000000, 0.0043367700000000, 0.0004812000000000 ] - [ 0.0016421600000000, -0.0004670700000000, 0.0002434600000000 ] - [ -0.0004561500000000, -0.0005226200000000, -0.0000460900000000 ] - [ 0.0014308900000000, -0.0005909500000000, -0.0007163400000000 ] - [ -0.0003721100000000, -0.0000132300000000, -0.0003343500000000 ] - [ -0.0004178800000000, 0.0000214900000000, -0.0002768000000000 ] - [ -0.0007925100000000, 0.0004492600000000, -0.0001013900000000 ] - [ -0.0011716600000000, -0.0001662300000000, -0.0005142700000000 ] - [ -0.0001729200000000, 0.0022718600000000, 0.0035094700000000 ] - [ 0.0004767300000000, 0.0006950600000000, 0.0000040100000000 ] - [ -0.0045674100000000, 0.0005402800000000, 0.0003549500000000 ] - [ -0.0006880000000000, -0.0014434800000000, -0.0006322500000000 ] - [ -0.0002757200000000, -0.0005686300000000, 0.0001207600000000 ] - [ -0.0000521800000000, 0.0004132500000000, -0.0003610600000000 ] - [ 0.0004607900000000, 0.0006129300000000, 0.0000465100000000 ] - [ -0.0002635100000000, 0.0008975900000000, 0.0001264100000000 ] - [ 0.0001941300000000, 0.0002960300000000, 0.0003483500000000 ] - [ -0.0006124600000000, 0.0025994800000000, 0.0002925500000000 ] - [ -0.0002413000000000, 0.0007066400000000, 0.0000949900000000 ] - [ 0.0000195600000000, 0.0006476000000000, -0.0003156400000000 ] - [ -0.0000032100000000, 0.0002616100000000, 0.0001729000000000 ] - [ -0.0001269700000000, 0.0008231600000000, -0.0003671700000000 ] - [ -0.0003504000000000, -0.0000027400000000, 0.0002343400000000 ] - [ 0.0000875100000000, 0.0008890300000000, 0.0001454700000000 ] - [ -0.0004250900000000, 0.0001049400000000, 0.0001149800000000 ] - [ -0.0000160300000000, 0.0002005200000000, 0.0000348300000000 ] - [ 0.0001506300000000, 0.0004883900000000, 0.0000236800000000 ] - [ -0.0000209100000000, 0.0004099500000000, -0.0001647700000000 ] - [ -0.0001057100000000, 0.0002540000000000, -0.0003231100000000 ] - [ 0.0004476100000000, 0.0009606600000000, -0.0000065400000000 ] - [ -0.0013803800000000, 0.0005621000000000, -0.0000733300000000 ] - [ -0.0005261900000000, 0.0005552500000000, -0.0000136100000000 ] - [ -0.0003128600000000, 0.0007322100000000, -0.0001751700000000 ] - [ 0.0001547700000000, 0.0000567700000000, -0.0000836400000000 ] - [ 0.0002722400000000, 0.0008026000000000, -0.0001254800000000 ] - [ 0.0002283100000000, 0.0007426700000000, -0.0001376400000000 ] - [ -0.0000544800000000, 0.0006866900000000, 0.0003180000000000 ] - [ -0.0002439000000000, 0.0006176400000000, -0.0005083300000000 ] - [ -0.0000905600000000, 0.0005867800000000, -0.0001822500000000 ]- atom: 40 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0052736500000000, -0.0126084300000000, 0.0075057700000000 ] - [ -0.0007114200000000, 0.0002473100000000, -0.0008518500000000 ] - [ -0.0005958500000000, 0.0011442900000000, -0.0006787200000000 ] - [ -0.0002545100000000, -0.0027136800000000, -0.0004287600000000 ] - [ -0.0010875400000000, -0.0019154400000000, 0.0010104900000000 ] - [ -0.0010071700000000, 0.0008927900000000, 0.0001432200000000 ] - [ -0.0001383600000000, 0.0012020600000000, -0.0000233500000000 ] - [ -0.0001106200000000, 0.0009374700000000, 0.0000049500000000 ] - [ -0.0004462200000000, 0.0002949200000000, 0.0000927200000000 ] - [ 0.0001885100000000, 0.0004921300000000, 0.0000434000000000 ] - [ 0.0000420200000000, 0.0008596400000000, 0.0000193800000000 ] - [ -0.0002811100000000, 0.0007525800000000, -0.0002322100000000 ] - [ -0.0014021600000000, -0.0005175100000000, -0.0003056900000000 ] - [ 0.0021231100000000, 0.0007210600000000, 0.0006364600000000 ] - [ -0.0002604700000000, 0.0007029900000000, -0.0026581300000000 ] - [ 0.0346329300000000, -0.0398170200000000, -0.0109027000000000 ] - [ -0.0007653100000000, 0.0001030200000000, 0.0001087000000000 ] - [ -0.0007118500000000, -0.0018841900000000, 0.0003088200000000 ] - [ 0.0000300400000000, 0.0007282200000000, -0.0000945300000000 ] - [ -0.0015364900000000, -0.0010606900000000, -0.0012424700000000 ] - [ 0.0000497300000000, 0.0005700600000000, -0.0000802500000000 ] - [ -0.0008821600000000, -0.0015596900000000, 0.0002661600000000 ] - [ 0.0047291000000000, -0.0096811600000000, -0.0001192000000000 ] - [ 0.0029772700000000, -0.0011478500000000, 0.0006166700000000 ] - [ -0.0002158200000000, 0.0009647400000000, -0.0000004000000000 ] - [ -0.0001683100000000, 0.0003197800000000, -0.0000432100000000 ] - [ 0.0002769100000000, 0.0007266700000000, 0.0000918600000000 ] - [ 0.0000282800000000, 0.0007503900000000, -0.0000103400000000 ] - [ -0.0003473900000000, 0.0010660800000000, -0.0006228700000000 ] - [ -0.0003096700000000, 0.0012450100000000, 0.0003101100000000 ] - [ -0.0008026900000000, -0.0000933600000000, 0.0001152100000000 ] - [ -0.0007620600000000, 0.0011632900000000, -0.0002978500000000 ] - [ -0.0024562300000000, 0.0024180900000000, 0.0016051900000000 ] - [ -0.0000414100000000, 0.0008521800000000, 0.0000131200000000 ] - [ 0.0001776300000000, 0.0010724600000000, -0.0003993700000000 ] - [ 0.0000822400000000, 0.0003380400000000, 0.0007462800000000 ] - [ 0.0003348100000000, 0.0011047100000000, 0.0003756700000000 ] - [ -0.0011148500000000, 0.0025973000000000, -0.0002697500000000 ] - [ 0.0005675800000000, -0.0000480700000000, 0.0002317600000000 ] - [ -0.0525260700000000, 0.0811385300000000, 0.0040454400000000 ] - [ 0.0037885200000000, -0.0108254600000000, -0.0006250400000000 ] - [ 0.0007553600000000, -0.0010934800000000, 0.0035119700000000 ] - [ 0.0007016900000000, 0.0010773600000000, -0.0001650300000000 ] - [ -0.0004184100000000, -0.0006864700000000, 0.0003007700000000 ] - [ 0.0040692700000000, 0.0001071900000000, 0.0007654400000000 ] - [ -0.0002332900000000, -0.0049384500000000, -0.0001774800000000 ] - [ -0.0015523800000000, 0.0001729500000000, -0.0003398700000000 ] - [ 0.0003594200000000, 0.0002271900000000, 0.0001509900000000 ] - [ -0.0014121800000000, -0.0001106900000000, 0.0003868200000000 ] - [ 0.0008298400000000, -0.0005333600000000, 0.0000270300000000 ] - [ 0.0013125900000000, 0.0000348000000000, 0.0002648700000000 ] - [ -0.0000974200000000, -0.0005086000000000, 0.0001170800000000 ] - [ 0.0002761000000000, 0.0002190600000000, 0.0005247200000000 ] - [ -0.0002464600000000, -0.0018806300000000, -0.0040697500000000 ] - [ 0.0004138200000000, -0.0007530400000000, -0.0000190000000000 ] - [ 0.0050101300000000, -0.0000012200000000, -0.0006509300000000 ] - [ 0.0007915300000000, 0.0017484600000000, 0.0005402800000000 ] - [ 0.0000726100000000, 0.0006179800000000, 0.0004906500000000 ] - [ 0.0002523400000000, -0.0004673500000000, -0.0002545200000000 ] - [ -0.0004579800000000, 0.0000884700000000, -0.0003804500000000 ] - [ -0.0001949300000000, -0.0003493300000000, 0.0001790800000000 ] - [ 0.0002444000000000, -0.0007066500000000, 0.0001741900000000 ] - [ 0.0006072800000000, -0.0018866100000000, 0.0000384500000000 ] - [ 0.0001411600000000, -0.0004082300000000, 0.0000011600000000 ] - [ 0.0001796700000000, -0.0005919600000000, -0.0002961300000000 ] - [ -0.0000018900000000, -0.0009600600000000, 0.0001599700000000 ] - [ -0.0003069900000000, -0.0012319500000000, -0.0001526400000000 ] - [ 0.0001479800000000, -0.0000538600000000, 0.0003756000000000 ] - [ 0.0003451900000000, -0.0004735200000000, 0.0003728100000000 ] - [ -0.0000367500000000, -0.0006524400000000, 0.0001900000000000 ] - [ 0.0001171000000000, -0.0005008300000000, -0.0001391400000000 ] - [ -0.0002519300000000, -0.0007891500000000, 0.0000811400000000 ] - [ 0.0000220600000000, -0.0011045000000000, -0.0001680000000000 ] - [ 0.0005674200000000, -0.0008014400000000, 0.0000177200000000 ] - [ 0.0004468400000000, -0.0009014200000000, -0.0000072700000000 ] - [ 0.0004808400000000, -0.0006227100000000, 0.0000886400000000 ] - [ -0.0003665700000000, -0.0004947000000000, 0.0000271100000000 ] - [ -0.0001215900000000, -0.0003138800000000, -0.0003411600000000 ] - [ 0.0007411400000000, -0.0001182000000000, 0.0000704700000000 ] - [ 0.0001887500000000, -0.0002555200000000, -0.0001793900000000 ] - [ -0.0001297400000000, -0.0004435600000000, 0.0000364000000000 ] - [ -0.0001461500000000, -0.0006279600000000, 0.0002938300000000 ] - [ 0.0004430200000000, -0.0006729100000000, -0.0001038500000000 ] - [ 0.0000905300000000, 0.0001079700000000, -0.0001472500000000 ]- atom: 40 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ 0.0035025300000000, -0.0041786400000000, 0.0055775500000000 ] - [ 0.0001218700000000, -0.0005627000000000, 0.0004815000000000 ] - [ 0.0001639500000000, -0.0002094600000000, 0.0001122200000000 ] - [ -0.0006785100000000, 0.0003049900000000, 0.0006885500000000 ] - [ -0.0002020100000000, 0.0010788300000000, -0.0008299200000000 ] - [ 0.0002347500000000, 0.0000118300000000, 0.0001639600000000 ] - [ -0.0000059500000000, 0.0002432400000000, -0.0000104200000000 ] - [ 0.0000554900000000, -0.0001211800000000, 0.0000376200000000 ] - [ 0.0000030200000000, -0.0001651800000000, -0.0000480200000000 ] - [ 0.0000047100000000, -0.0005893200000000, 0.0000093200000000 ] - [ 0.0000194300000000, -0.0002477700000000, 0.0000075700000000 ] - [ 0.0000145900000000, -0.0000874600000000, 0.0000302800000000 ] - [ -0.0003028200000000, 0.0000891200000000, -0.0002575800000000 ] - [ -0.0001451200000000, -0.0001789400000000, 0.0001375400000000 ] - [ 0.0011146200000000, -0.0008271100000000, 0.0010502200000000 ] - [ -0.0200899100000000, 0.0175255300000000, 0.0112094600000000 ] - [ 0.0000262200000000, -0.0000191400000000, 0.0000228900000000 ] - [ 0.0008587200000000, 0.0010581500000000, -0.0009407800000000 ] - [ -0.0003600200000000, -0.0003270100000000, -0.0001266400000000 ] - [ 0.0002545000000000, 0.0001724300000000, -0.0005393100000000 ] - [ 0.0004732900000000, -0.0001203200000000, 0.0000472900000000 ] - [ -0.0006880000000000, -0.0005248400000000, 0.0001931700000000 ] - [ 0.0079198200000000, 0.0038646700000000, 0.0737324500000000 ] - [ 0.0003690900000000, -0.0008622100000000, -0.0000140100000000 ] - [ -0.0004230700000000, -0.0001599700000000, -0.0000342600000000 ] - [ 0.0000014100000000, -0.0001490500000000, -0.0000006400000000 ] - [ 0.0004442800000000, -0.0000847300000000, 0.0000643500000000 ] - [ -0.0000005400000000, -0.0001274200000000, -0.0000018400000000 ] - [ -0.0000003400000000, -0.0001730300000000, 0.0000534600000000 ] - [ 0.0000591600000000, 0.0000909900000000, 0.0005604800000000 ] - [ -0.0004502700000000, -0.0001625500000000, -0.0000725600000000 ] - [ 0.0000529200000000, -0.0004927400000000, -0.0005150900000000 ] - [ 0.0004783300000000, -0.0004093900000000, -0.0001064900000000 ] - [ 0.0000376500000000, -0.0001846600000000, -0.0000132000000000 ] - [ -0.0000465300000000, 0.0001163400000000, -0.0005462300000000 ] - [ -0.0000334700000000, -0.0004517300000000, 0.0004874300000000 ] - [ -0.0000257000000000, 0.0001264400000000, -0.0000619000000000 ] - [ 0.0021981400000000, -0.0000939400000000, 0.0042038300000000 ] - [ -0.0001649600000000, 0.0003780400000000, 0.0001918600000000 ] - [ 0.0166127900000000, -0.0213915100000000, -0.1223835800000000 ] - [ -0.0005541500000000, 0.0007646000000000, 0.0003076900000000 ] - [ -0.0043715800000000, 0.0022416400000000, 0.0147031100000000 ] - [ 0.0005871100000000, -0.0007274300000000, 0.0006538200000000 ] - [ -0.0000939800000000, 0.0001097800000000, 0.0003026100000000 ] - [ -0.0010356700000000, 0.0001820800000000, -0.0001069200000000 ] - [ -0.0005759900000000, 0.0002330600000000, 0.0003802400000000 ] - [ -0.0001521200000000, -0.0003815200000000, 0.0001966700000000 ] - [ -0.0000218300000000, -0.0001831700000000, 0.0000773400000000 ] - [ -0.0010155300000000, -0.0012574100000000, -0.0001287400000000 ] - [ 0.0000804200000000, -0.0003879900000000, -0.0001974600000000 ] - [ -0.0001126900000000, 0.0000625900000000, -0.0000507200000000 ] - [ -0.0005371500000000, 0.0000086300000000, -0.0000148700000000 ] - [ -0.0003980000000000, -0.0000576700000000, -0.0001144400000000 ] - [ -0.0030874700000000, 0.0005555400000000, 0.0085188700000000 ] - [ 0.0003872700000000, 0.0001471000000000, -0.0000268200000000 ] - [ -0.0015700200000000, 0.0022397800000000, -0.0011498600000000 ] - [ 0.0014031600000000, 0.0004654100000000, 0.0042955800000000 ] - [ -0.0000757400000000, 0.0001122200000000, 0.0002997600000000 ] - [ 0.0000794900000000, 0.0000524800000000, -0.0003184800000000 ] - [ -0.0000415700000000, 0.0006962900000000, -0.0001614900000000 ] - [ -0.0002546300000000, 0.0003993500000000, 0.0001451900000000 ] - [ 0.0001767600000000, -0.0000729700000000, 0.0002771400000000 ] - [ -0.0000175300000000, 0.0005211800000000, 0.0001684100000000 ] - [ -0.0000798900000000, 0.0002539900000000, 0.0000805500000000 ] - [ 0.0000826500000000, 0.0001268400000000, -0.0003054300000000 ] - [ 0.0000024200000000, -0.0002193700000000, 0.0001600500000000 ] - [ -0.0001799900000000, -0.0000513500000000, -0.0002781100000000 ] - [ -0.0001789800000000, 0.0000743000000000, 0.0003234300000000 ] - [ 0.0001998800000000, 0.0003314100000000, 0.0002389900000000 ] - [ -0.0002286500000000, -0.0001696700000000, 0.0001571200000000 ] - [ 0.0000150400000000, -0.0000429200000000, -0.0000554700000000 ] - [ -0.0000131700000000, -0.0000510000000000, 0.0000571900000000 ] - [ -0.0000165600000000, -0.0001912100000000, -0.0001626700000000 ] - [ 0.0002093500000000, -0.0001712800000000, -0.0001637100000000 ] - [ 0.0004319300000000, 0.0001864500000000, -0.0000204000000000 ] - [ -0.0005152300000000, 0.0001450000000000, 0.0000289800000000 ] - [ -0.0004850100000000, 0.0001135400000000, -0.0000048500000000 ] - [ -0.0001998800000000, 0.0003133900000000, -0.0002403100000000 ] - [ 0.0004523800000000, 0.0000456900000000, 0.0000002000000000 ] - [ 0.0002233700000000, 0.0003728100000000, -0.0001506600000000 ] - [ 0.0000900100000000, 0.0002862500000000, -0.0000817500000000 ] - [ -0.0001242400000000, 0.0002242100000000, 0.0003035000000000 ] - [ 0.0001101300000000, 0.0000616600000000, -0.0003447700000000 ] - [ 0.0000018300000000, 0.0004790700000000, -0.0001590300000000 ]- atom: 40 displacement: [ 0.0032041063292312, 0.0000000000000000, -0.0094727874794582 ] forces: - [ -0.0034064100000000, 0.0048528400000000, -0.0055257300000000 ] - [ -0.0001195300000000, 0.0006588500000000, -0.0004916700000000 ] - [ -0.0001635500000000, 0.0001168000000000, -0.0001096700000000 ] - [ 0.0006782900000000, -0.0011285400000000, -0.0006976200000000 ] - [ 0.0001992400000000, -0.0012334600000000, 0.0008433800000000 ] - [ -0.0002395900000000, 0.0001397800000000, -0.0001699400000000 ] - [ 0.0000051600000000, 0.0005756200000000, 0.0000123500000000 ] - [ -0.0000562500000000, 0.0002138900000000, -0.0000372300000000 ] - [ -0.0000007000000000, 0.0000746800000000, 0.0000518600000000 ] - [ -0.0000058900000000, -0.0002288100000000, -0.0000111400000000 ] - [ -0.0000197600000000, 0.0001021400000000, -0.0000089300000000 ] - [ -0.0000148600000000, 0.0002337300000000, -0.0000300900000000 ] - [ -0.0005421900000000, -0.0000074900000000, 0.0001312200000000 ] - [ 0.0001383500000000, 0.0001623500000000, -0.0001499000000000 ] - [ -0.0002490500000000, 0.0008796700000000, -0.0009280900000000 ] - [ 0.0197033100000000, -0.0169295200000000, -0.0112394100000000 ] - [ -0.0000227700000000, 0.0000022900000000, -0.0000228300000000 ] - [ -0.0008296200000000, -0.0004981500000000, 0.0019759300000000 ] - [ -0.0004862500000000, 0.0002536400000000, 0.0000010700000000 ] - [ -0.0002713700000000, -0.0007345600000000, -0.0004953100000000 ] - [ 0.0003652100000000, 0.0000458900000000, 0.0000714600000000 ] - [ 0.0006928800000000, 0.0005438200000000, -0.0001877000000000 ] - [ -0.0085268300000000, -0.0034554300000000, -0.0783094000000000 ] - [ -0.0003393000000000, 0.0003082500000000, 0.0010670800000000 ] - [ -0.0004206500000000, 0.0002356800000000, -0.0000876300000000 ] - [ 0.0000006000000000, 0.0001334100000000, -0.0000033400000000 ] - [ 0.0004027100000000, 0.0001618900000000, 0.0000630400000000 ] - [ 0.0000009400000000, 0.0001449200000000, 0.0000062400000000 ] - [ 0.0000041000000000, 0.0001503500000000, -0.0000571400000000 ] - [ -0.0000400100000000, 0.0004743000000000, 0.0004794300000000 ] - [ -0.0003943500000000, 0.0000861700000000, -0.0000524000000000 ] - [ -0.0000737000000000, -0.0000707700000000, -0.0005216700000000 ] - [ 0.0003603300000000, 0.0003335600000000, 0.0002416100000000 ] - [ -0.0000381200000000, 0.0002037500000000, 0.0000135000000000 ] - [ 0.0000268400000000, 0.0004461100000000, -0.0004925200000000 ] - [ 0.0000548600000000, -0.0001103600000000, 0.0005517900000000 ] - [ -0.0004313000000000, 0.0004234100000000, 0.0003678600000000 ] - [ -0.0018446500000000, -0.0003125500000000, -0.0037376200000000 ] - [ 0.0001681400000000, 0.0003015200000000, 0.0001343400000000 ] - [ -0.0158772600000000, 0.0214307400000000, 0.1261241600000000 ] - [ 0.0007656500000000, -0.0007379300000000, -0.0009317600000000 ] - [ 0.0043693400000000, -0.0027841000000000, -0.0144175600000000 ] - [ -0.0009864000000000, 0.0003256400000000, -0.0011655000000000 ] - [ -0.0001034000000000, -0.0001636000000000, 0.0003063000000000 ] - [ 0.0014314900000000, 0.0002207400000000, 0.0006352300000000 ] - [ 0.0001223800000000, -0.0007585800000000, -0.0000681800000000 ] - [ 0.0002526500000000, 0.0000803500000000, -0.0003247600000000 ] - [ -0.0000741000000000, -0.0001200000000000, 0.0000430300000000 ] - [ 0.0010035500000000, 0.0005726700000000, -0.0001823200000000 ] - [ 0.0003727400000000, -0.0001601600000000, -0.0001089400000000 ] - [ 0.0010130900000000, -0.0000062500000000, 0.0000407900000000 ] - [ -0.0003572600000000, -0.0000691300000000, 0.0000271100000000 ] - [ -0.0005079200000000, 0.0001211500000000, 0.0001236000000000 ] - [ 0.0027078600000000, -0.0002735200000000, -0.0090876200000000 ] - [ 0.0005172300000000, -0.0002103100000000, 0.0000195300000000 ] - [ 0.0020520400000000, -0.0017038800000000, 0.0008250700000000 ] - [ -0.0012834600000000, -0.0001626600000000, -0.0043803800000000 ] - [ -0.0001253600000000, -0.0000593500000000, 0.0003131800000000 ] - [ 0.0001209600000000, -0.0001073700000000, -0.0002961400000000 ] - [ 0.0000329700000000, -0.0000201100000000, -0.0001594200000000 ] - [ -0.0002018100000000, 0.0001492900000000, 0.0001603400000000 ] - [ 0.0002264100000000, -0.0003263700000000, 0.0002415100000000 ] - [ 0.0000232900000000, 0.0001566100000000, 0.0001563800000000 ] - [ -0.0000161800000000, 0.0000489900000000, 0.0000405500000000 ] - [ 0.0001145400000000, -0.0000700700000000, -0.0003021500000000 ] - [ 0.0000045300000000, -0.0004641600000000, 0.0001640000000000 ] - [ -0.0002228600000000, -0.0003506500000000, -0.0002388300000000 ] - [ -0.0000176800000000, -0.0001312800000000, 0.0002850100000000 ] - [ 0.0002048300000000, 0.0000676400000000, 0.0002802600000000 ] - [ -0.0002305600000000, -0.0003794000000000, 0.0001468400000000 ] - [ 0.0000831400000000, -0.0002624800000000, -0.0000675100000000 ] - [ -0.0000823800000000, -0.0002493200000000, 0.0000617300000000 ] - [ 0.0000104800000000, -0.0004892700000000, -0.0001608200000000 ] - [ 0.0002460300000000, -0.0003756800000000, -0.0001420300000000 ] - [ 0.0004657800000000, -0.0001235400000000, 0.0000090200000000 ] - [ -0.0003822500000000, -0.0002070300000000, -0.0000184300000000 ] - [ -0.0004170200000000, -0.0000529900000000, 0.0000135200000000 ] - [ -0.0002035800000000, 0.0000870800000000, -0.0002777500000000 ] - [ 0.0004434200000000, -0.0001069500000000, -0.0000115500000000 ] - [ 0.0002320800000000, 0.0001756500000000, -0.0001551100000000 ] - [ 0.0000071600000000, 0.0000170500000000, -0.0000416300000000 ] - [ -0.0000751000000000, -0.0001721400000000, 0.0003073900000000 ] - [ 0.0000856600000000, -0.0001070800000000, -0.0002674600000000 ] - [ -0.0000089800000000, 0.0002021400000000, -0.0001638600000000 ]- atom: 41 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ -0.0005990100000000, 0.0007764000000000, -0.0005146500000000 ] - [ -0.0009677200000000, -0.0000512900000000, -0.0007837300000000 ] - [ -0.0000952300000000, -0.0000211500000000, -0.0000743500000000 ] - [ -0.0001029000000000, -0.0017822100000000, -0.0010453200000000 ] - [ -0.0007421500000000, -0.0007197900000000, 0.0008025200000000 ] - [ -0.0001949300000000, 0.0001146600000000, -0.0000887300000000 ] - [ 0.0002012300000000, 0.0006871300000000, 0.0001148900000000 ] - [ -0.0000685600000000, 0.0000233000000000, -0.0000290100000000 ] - [ -0.0007913500000000, 0.0004925400000000, 0.0009980900000000 ] - [ -0.0003041600000000, -0.0005061300000000, -0.0001365000000000 ] - [ -0.0001629200000000, -0.0001591100000000, -0.0001201700000000 ] - [ -0.0000368500000000, 0.0016259000000000, -0.0011680900000000 ] - [ -0.0014976800000000, 0.0000697900000000, -0.0003200800000000 ] - [ 0.0003537000000000, -0.0000938400000000, 0.0000018400000000 ] - [ 0.0079703600000000, 0.0000218600000000, 0.0133291800000000 ] - [ 0.0215759600000000, 0.0195219000000000, -0.0056216900000000 ] - [ -0.0001568800000000, -0.0001180700000000, -0.0000457500000000 ] - [ -0.0003562300000000, 0.0004319100000000, 0.0002978100000000 ] - [ -0.0003292600000000, -0.0000673100000000, -0.0000237900000000 ] - [ -0.0002136400000000, -0.0006825800000000, -0.0004264300000000 ] - [ 0.0003095100000000, -0.0000988200000000, 0.0000488300000000 ] - [ -0.0007052700000000, -0.0001980400000000, -0.0001707900000000 ] - [ 0.0009115800000000, 0.0010910400000000, 0.0003796200000000 ] - [ 0.0004237600000000, -0.0004470600000000, 0.0007366500000000 ] - [ -0.0003244500000000, -0.0000082000000000, -0.0000509600000000 ] - [ -0.0006384600000000, -0.0002260600000000, -0.0003070300000000 ] - [ 0.0003466700000000, 0.0000217900000000, 0.0000528900000000 ] - [ -0.0001106800000000, 0.0000366300000000, -0.0000207800000000 ] - [ 0.0011397700000000, -0.0006890000000000, 0.0008044000000000 ] - [ 0.0003666900000000, 0.0003041400000000, 0.0005624900000000 ] - [ -0.0011201400000000, 0.0001126500000000, -0.0002932200000000 ] - [ 0.0011838900000000, -0.0011164800000000, -0.0009472600000000 ] - [ 0.0271326800000000, -0.0243516200000000, -0.0075029900000000 ] - [ 0.0001114300000000, -0.0000162000000000, 0.0000231300000000 ] - [ -0.0001180900000000, 0.0003981600000000, -0.0005343000000000 ] - [ -0.0001301600000000, -0.0001904700000000, 0.0005018200000000 ] - [ 0.0002387900000000, 0.0003961700000000, 0.0004303300000000 ] - [ -0.0004989200000000, 0.0000349400000000, -0.0000306000000000 ] - [ 0.0000914100000000, 0.0004708900000000, 0.0001802600000000 ] - [ 0.0002202100000000, -0.0035389200000000, -0.0005636200000000 ] - [ -0.0667323900000000, 0.0064000200000000, 0.0080951800000000 ] - [ -0.0005334100000000, -0.0012343600000000, -0.0051745800000000 ] - [ 0.0007241400000000, 0.0002455900000000, -0.0002103100000000 ] - [ -0.0001629500000000, 0.0000437200000000, 0.0002953600000000 ] - [ 0.0007187600000000, 0.0003680500000000, 0.0002926100000000 ] - [ -0.0002490200000000, -0.0005961700000000, 0.0001545300000000 ] - [ -0.0002700800000000, 0.0001583100000000, -0.0001441600000000 ] - [ 0.0000688800000000, -0.0000091700000000, 0.0000625500000000 ] - [ 0.0010357100000000, -0.0010212600000000, -0.0002362500000000 ] - [ 0.0003368900000000, -0.0002653200000000, -0.0001188600000000 ] - [ 0.0015368400000000, 0.0000011500000000, 0.0004856800000000 ] - [ -0.0004104800000000, -0.0000112000000000, 0.0000139000000000 ] - [ 0.0007255000000000, 0.0002596000000000, 0.0032248800000000 ] - [ -0.0003545100000000, -0.0001409200000000, -0.0004283700000000 ] - [ 0.0004680300000000, -0.0000646900000000, 0.0000040100000000 ] - [ 0.0047347100000000, 0.0050710500000000, -0.0001155100000000 ] - [ 0.0003642000000000, 0.0003317900000000, 0.0000943200000000 ] - [ 0.0002738800000000, 0.0000402700000000, 0.0008975000000000 ] - [ 0.0001472500000000, 0.0000093700000000, -0.0002803000000000 ] - [ -0.0000981700000000, 0.0003973500000000, -0.0002000800000000 ] - [ -0.0002261800000000, 0.0003644500000000, 0.0001585800000000 ] - [ 0.0003622300000000, -0.0002743600000000, 0.0002752900000000 ] - [ -0.0013802400000000, 0.0033857900000000, -0.0002459000000000 ] - [ 0.0000066700000000, 0.0000808400000000, 0.0000440200000000 ] - [ 0.0001539500000000, 0.0000371300000000, -0.0003069100000000 ] - [ 0.0000454400000000, -0.0003665300000000, 0.0001882500000000 ] - [ -0.0002929400000000, 0.0004313800000000, -0.0002904300000000 ] - [ 0.0006661800000000, 0.0004026500000000, 0.0003201500000000 ] - [ -0.0003207100000000, 0.0000561100000000, 0.0002081300000000 ] - [ 0.0009913600000000, -0.0007401600000000, 0.0003061500000000 ] - [ 0.0004438400000000, -0.0004047000000000, 0.0000095700000000 ] - [ -0.0000594600000000, 0.0001847000000000, 0.0000524700000000 ] - [ -0.0000714700000000, -0.0003212100000000, -0.0001670400000000 ] - [ -0.0004403000000000, -0.0004987400000000, -0.0003748200000000 ] - [ 0.0004473400000000, 0.0000842200000000, -0.0000110300000000 ] - [ 0.0048480200000000, -0.0053989800000000, 0.0000219300000000 ] - [ -0.0003972100000000, 0.0000404100000000, 0.0000292200000000 ] - [ -0.0001239400000000, 0.0000486800000000, -0.0002331500000000 ] - [ 0.0008724600000000, -0.0001770800000000, 0.0002194800000000 ] - [ 0.0003136300000000, 0.0002727500000000, -0.0001357700000000 ] - [ -0.0000394500000000, 0.0001133100000000, -0.0000965000000000 ] - [ -0.0001381300000000, 0.0000457600000000, 0.0003091900000000 ] - [ -0.0004131600000000, 0.0008637800000000, -0.0053074200000000 ] - [ 0.0001162600000000, 0.0002371300000000, -0.0001304300000000 ]- atom: 41 displacement: [ -0.0099999882766160, 0.0000000000000000, -0.0000153123330198 ] forces: - [ 0.0005989800000000, 0.0000290900000000, 0.0005199800000000 ] - [ 0.0009606000000000, 0.0001478100000000, 0.0007807000000000 ] - [ 0.0000957200000000, -0.0000741700000000, 0.0000728500000000 ] - [ 0.0001007500000000, 0.0009744600000000, 0.0010478000000000 ] - [ 0.0007374800000000, 0.0005844400000000, -0.0008053600000000 ] - [ 0.0001956800000000, 0.0000101000000000, 0.0000911400000000 ] - [ -0.0002018700000000, 0.0001209500000000, -0.0001149500000000 ] - [ 0.0000669700000000, 0.0000762000000000, 0.0000303100000000 ] - [ 0.0007868800000000, -0.0005810100000000, -0.0010001400000000 ] - [ 0.0003039100000000, -0.0003012100000000, 0.0001353500000000 ] - [ 0.0001629500000000, 0.0000274400000000, 0.0001190700000000 ] - [ 0.0000346800000000, -0.0014969900000000, 0.0011712900000000 ] - [ 0.0006532600000000, 0.0000059500000000, 0.0001995400000000 ] - [ -0.0003457700000000, 0.0000793700000000, -0.0000003900000000 ] - [ -0.0069499100000000, 0.0000518500000000, -0.0130097200000000 ] - [ -0.0216141800000000, -0.0200374400000000, 0.0058861400000000 ] - [ 0.0001518800000000, 0.0001028700000000, 0.0000414100000000 ] - [ 0.0003835700000000, 0.0001258900000000, 0.0007381400000000 ] - [ -0.0004988300000000, -0.0000061900000000, -0.0000932900000000 ] - [ 0.0001935300000000, 0.0001275100000000, -0.0006088900000000 ] - [ 0.0005183900000000, 0.0000262300000000, 0.0000628100000000 ] - [ 0.0007111900000000, 0.0002143500000000, 0.0001776300000000 ] - [ -0.0009310100000000, -0.0005318400000000, -0.0014172600000000 ] - [ -0.0004036200000000, -0.0001081200000000, 0.0002976600000000 ] - [ -0.0005101000000000, 0.0000812400000000, -0.0000669000000000 ] - [ 0.0006491700000000, 0.0002091500000000, 0.0003109400000000 ] - [ 0.0004913900000000, 0.0000515600000000, 0.0000714400000000 ] - [ 0.0001037200000000, -0.0000228400000000, 0.0000160800000000 ] - [ -0.0011450000000000, 0.0006706000000000, -0.0008167500000000 ] - [ -0.0003439400000000, 0.0002512300000000, 0.0004722700000000 ] - [ 0.0002804500000000, -0.0001866000000000, 0.0001673900000000 ] - [ -0.0012120000000000, 0.0005634000000000, -0.0000876000000000 ] - [ -0.0263983500000000, 0.0249576600000000, 0.0079555000000000 ] - [ -0.0001027000000000, 0.0000309700000000, -0.0000131600000000 ] - [ 0.0000952200000000, 0.0001577600000000, -0.0004990300000000 ] - [ 0.0001535000000000, -0.0003662700000000, 0.0005341300000000 ] - [ -0.0006876100000000, 0.0001609500000000, -0.0001219900000000 ] - [ 0.0009404100000000, -0.0004522200000000, 0.0005450700000000 ] - [ -0.0000819700000000, 0.0002175800000000, 0.0001508800000000 ] - [ -0.0003352700000000, 0.0038700000000000, 0.0006490100000000 ] - [ 0.0670488300000000, -0.0064694200000000, -0.0094279200000000 ] - [ 0.0005356000000000, 0.0005345400000000, 0.0054985300000000 ] - [ -0.0011643700000000, -0.0006645500000000, -0.0003037800000000 ] - [ -0.0000348700000000, -0.0001082800000000, 0.0003094900000000 ] - [ -0.0002813200000000, 0.0000478500000000, 0.0002206700000000 ] - [ -0.0002033200000000, 0.0000423300000000, 0.0001538000000000 ] - [ 0.0003614700000000, -0.0004790600000000, 0.0000506500000000 ] - [ -0.0001615500000000, -0.0003126200000000, 0.0000337500000000 ] - [ -0.0010157100000000, 0.0003236700000000, -0.0001044200000000 ] - [ 0.0001166600000000, -0.0002867800000000, -0.0001888600000000 ] - [ -0.0006313200000000, 0.0000614300000000, -0.0004916400000000 ] - [ -0.0005153400000000, -0.0000517900000000, -0.0000119300000000 ] - [ -0.0016596600000000, -0.0001980200000000, -0.0032314300000000 ] - [ -0.0000862300000000, 0.0005585200000000, -0.0000863600000000 ] - [ 0.0004503800000000, 0.0000021100000000, -0.0000065800000000 ] - [ -0.0043371800000000, -0.0045652500000000, -0.0002115900000000 ] - [ -0.0002737700000000, -0.0000117900000000, -0.0001880900000000 ] - [ -0.0004692800000000, 0.0000229100000000, -0.0002744700000000 ] - [ 0.0000504800000000, -0.0000741600000000, -0.0003220400000000 ] - [ 0.0000895900000000, 0.0002904500000000, -0.0001335000000000 ] - [ -0.0002321600000000, 0.0001880100000000, 0.0001498600000000 ] - [ 0.0000782400000000, -0.0001414100000000, 0.0002400000000000 ] - [ 0.0013723200000000, -0.0027391900000000, 0.0005836300000000 ] - [ -0.0001012700000000, 0.0002409300000000, 0.0000500000000000 ] - [ 0.0000500400000000, 0.0000158800000000, -0.0003186200000000 ] - [ -0.0000450000000000, -0.0003085800000000, 0.0001512700000000 ] - [ -0.0001477100000000, -0.0008463800000000, -0.0002254600000000 ] - [ -0.0008476000000000, -0.0004534400000000, 0.0002956400000000 ] - [ 0.0007621700000000, 0.0003617700000000, 0.0003064100000000 ] - [ -0.0014461000000000, 0.0001865200000000, 0.0000031200000000 ] - [ -0.0003519200000000, 0.0000864400000000, -0.0001034400000000 ] - [ -0.0000353100000000, -0.0005042500000000, 0.0000413700000000 ] - [ 0.0000722100000000, -0.0003557400000000, -0.0001698900000000 ] - [ 0.0008939800000000, -0.0000554700000000, 0.0000657000000000 ] - [ 0.0004544300000000, -0.0000186400000000, -0.0000059600000000 ] - [ -0.0058203500000000, 0.0053945500000000, -0.0000265200000000 ] - [ -0.0005011400000000, 0.0000240000000000, -0.0000132600000000 ] - [ -0.0003153600000000, 0.0003662000000000, -0.0002818600000000 ] - [ 0.0000312200000000, 0.0001078900000000, -0.0002341700000000 ] - [ 0.0001414700000000, 0.0002787200000000, -0.0001736500000000 ] - [ 0.0001354100000000, 0.0002072100000000, 0.0000041200000000 ] - [ -0.0000637700000000, 0.0000072000000000, 0.0003149000000000 ] - [ 0.0006062300000000, -0.0009057100000000, 0.0046801200000000 ] - [ -0.0001172700000000, 0.0004396900000000, -0.0002067900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014944000000000, -0.0012278700000000, 0.0018196300000000 ] - [ -0.0000033100000000, 0.0032936500000000, 0.0000452000000000 ] - [ 0.0001623100000000, -0.0011152700000000, 0.0001585500000000 ] - [ -0.0006536700000000, -0.0013609100000000, -0.0010565500000000 ] - [ -0.0011743200000000, 0.0016295400000000, 0.0011583400000000 ] - [ 0.0004016900000000, -0.0009389000000000, 0.0000066400000000 ] - [ 0.0003610900000000, -0.0003533400000000, -0.0000235700000000 ] - [ -0.0000353300000000, -0.0009045600000000, -0.0000015000000000 ] - [ 0.0011587200000000, 0.0019010400000000, -0.0011842500000000 ] - [ -0.0006099000000000, -0.0013778600000000, -0.0000420000000000 ] - [ -0.0003293700000000, -0.0011258900000000, -0.0002925500000000 ] - [ 0.0006921900000000, -0.0006440400000000, 0.0010412700000000 ] - [ -0.0004545700000000, 0.0018505400000000, -0.0000869600000000 ] - [ -0.0004665300000000, -0.0010929600000000, -0.0001367000000000 ] - [ 0.0002159800000000, 0.0132914400000000, 0.0000411400000000 ] - [ 0.0191351500000000, 0.0301769500000000, -0.0075574100000000 ] - [ 0.0002128700000000, -0.0007577500000000, -0.0000341700000000 ] - [ -0.0003496100000000, 0.0007358500000000, 0.0005780800000000 ] - [ -0.0004577400000000, -0.0010894300000000, -0.0000461700000000 ] - [ 0.0004159500000000, -0.0010396800000000, -0.0002110600000000 ] - [ 0.0004911300000000, -0.0009113100000000, 0.0000810900000000 ] - [ -0.0003002900000000, 0.0013760400000000, 0.0003462300000000 ] - [ -0.0007809600000000, -0.0009873900000000, -0.0033378700000000 ] - [ -0.0006230000000000, -0.0013282000000000, 0.0004575000000000 ] - [ -0.0003605100000000, -0.0010796800000000, -0.0000232600000000 ] - [ 0.0006553900000000, 0.0006518400000000, 0.0002555000000000 ] - [ 0.0003680300000000, -0.0008349600000000, 0.0000495700000000 ] - [ -0.0001753600000000, -0.0008473700000000, -0.0000636100000000 ] - [ 0.0007734100000000, -0.0011679500000000, 0.0022941500000000 ] - [ 0.0007351000000000, -0.0008960000000000, 0.0009405400000000 ] - [ 0.0000033800000000, 0.0012481500000000, -0.0004258800000000 ] - [ 0.0024525400000000, -0.0029945400000000, -0.0018997400000000 ] - [ -0.0237296800000000, 0.0374439000000000, 0.0102097000000000 ] - [ 0.0001914500000000, -0.0010227500000000, -0.0000440600000000 ] - [ -0.0002741400000000, -0.0005109900000000, -0.0005484500000000 ] - [ 0.0000583300000000, -0.0004903700000000, 0.0000477500000000 ] - [ 0.0001468300000000, -0.0005181400000000, 0.0004555400000000 ] - [ 0.0007857700000000, 0.0002125100000000, 0.0006530300000000 ] - [ -0.0001141200000000, 0.0010260100000000, 0.0001355400000000 ] - [ -0.0026595700000000, 0.0110131400000000, -0.0000408300000000 ] - [ 0.0076129500000000, -0.1061850900000000, -0.0027209600000000 ] - [ 0.0009010100000000, 0.0013442500000000, 0.0034239600000000 ] - [ 0.0002305700000000, 0.0001754400000000, -0.0003523200000000 ] - [ -0.0000215100000000, 0.0009117600000000, 0.0003098600000000 ] - [ -0.0001391300000000, 0.0004286600000000, 0.0001360700000000 ] - [ -0.0001825000000000, 0.0011893800000000, 0.0001719300000000 ] - [ -0.0000168300000000, 0.0005140400000000, 0.0000693400000000 ] - [ 0.0000713500000000, 0.0002959500000000, 0.0000070900000000 ] - [ -0.0006002200000000, -0.0008472200000000, 0.0000685100000000 ] - [ 0.0000155900000000, 0.0002174800000000, -0.0002384800000000 ] - [ 0.0005099700000000, -0.0014153200000000, 0.0000606300000000 ] - [ -0.0005352900000000, 0.0005678100000000, -0.0000271800000000 ] - [ -0.0002423500000000, -0.0033854300000000, 0.0002275300000000 ] - [ -0.0002378400000000, 0.0009934000000000, 0.0001030000000000 ] - [ 0.0004343800000000, 0.0007012400000000, -0.0000112700000000 ] - [ 0.0055712000000000, 0.0024256100000000, -0.0004546800000000 ] - [ -0.0002937600000000, -0.0004454100000000, -0.0002608300000000 ] - [ -0.0001043900000000, -0.0013013900000000, 0.0003461800000000 ] - [ 0.0000538900000000, 0.0006869900000000, -0.0003311000000000 ] - [ 0.0000873100000000, 0.0011794800000000, -0.0001282400000000 ] - [ -0.0002529800000000, 0.0010035200000000, 0.0001340000000000 ] - [ 0.0003054800000000, 0.0001580300000000, 0.0003550700000000 ] - [ -0.0024368800000000, 0.0102719200000000, 0.0006281700000000 ] - [ -0.0002530000000000, 0.0007649900000000, 0.0000867500000000 ] - [ 0.0001134200000000, 0.0008110800000000, -0.0002991100000000 ] - [ 0.0000457700000000, 0.0003365400000000, 0.0001886700000000 ] - [ -0.0001689300000000, 0.0017617400000000, -0.0003658800000000 ] - [ 0.0003360700000000, -0.0007288100000000, 0.0000432100000000 ] - [ -0.0003403500000000, 0.0009799600000000, 0.0001100600000000 ] - [ -0.0012569500000000, -0.0001472700000000, -0.0000637900000000 ] - [ 0.0001729600000000, -0.0001238000000000, 0.0000949500000000 ] - [ 0.0000882100000000, 0.0004955500000000, 0.0000098400000000 ] - [ -0.0001162700000000, 0.0006176500000000, -0.0001498400000000 ] - [ -0.0005239000000000, -0.0000359100000000, -0.0006180100000000 ] - [ 0.0004454900000000, 0.0009326300000000, -0.0000059400000000 ] - [ -0.0055585100000000, 0.0014038500000000, 0.0003958400000000 ] - [ -0.0004137500000000, 0.0006296000000000, 0.0000198200000000 ] - [ -0.0003443900000000, 0.0006079600000000, -0.0001822500000000 ] - [ 0.0000883600000000, -0.0009132500000000, -0.0002195700000000 ] - [ 0.0004251000000000, 0.0008434000000000, -0.0000846500000000 ] - [ 0.0001815000000000, 0.0008072500000000, -0.0002158300000000 ] - [ -0.0001210500000000, 0.0008985700000000, 0.0003007200000000 ] - [ -0.0007746800000000, 0.0013873400000000, -0.0040108000000000 ] - [ -0.0001148400000000, -0.0000466500000000, -0.0002688500000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014897500000000, 0.0020023200000000, -0.0018215700000000 ] - [ -0.0000070000000000, -0.0031785500000000, -0.0000411400000000 ] - [ -0.0001617800000000, 0.0010062800000000, -0.0001599900000000 ] - [ 0.0006502500000000, 0.0005789100000000, 0.0010544600000000 ] - [ 0.0011674200000000, -0.0017384500000000, -0.0011637100000000 ] - [ -0.0003989800000000, 0.0010334800000000, -0.0000020300000000 ] - [ -0.0003610700000000, 0.0011302400000000, 0.0000240900000000 ] - [ 0.0000352000000000, 0.0010125400000000, 0.0000010400000000 ] - [ -0.0011612500000000, -0.0019944200000000, 0.0011771400000000 ] - [ 0.0006068700000000, 0.0006008400000000, 0.0000429500000000 ] - [ 0.0003274700000000, 0.0010266900000000, 0.0002910700000000 ] - [ -0.0006926800000000, 0.0007422300000000, -0.0010404500000000 ] - [ -0.0003656200000000, -0.0017715400000000, -0.0000246600000000 ] - [ 0.0004890400000000, 0.0010746800000000, 0.0001468200000000 ] - [ 0.0005795900000000, -0.0132153400000000, 0.0001962900000000 ] - [ -0.0201896000000000, -0.0313760300000000, 0.0080919400000000 ] - [ -0.0002389800000000, 0.0007419800000000, 0.0000207300000000 ] - [ 0.0003697400000000, -0.0001807400000000, 0.0004587200000000 ] - [ -0.0003461400000000, 0.0010148800000000, -0.0000648700000000 ] - [ -0.0004360600000000, 0.0004784700000000, -0.0008273300000000 ] - [ 0.0003204900000000, 0.0008393300000000, 0.0000253600000000 ] - [ 0.0003131900000000, -0.0013564500000000, -0.0003347900000000 ] - [ 0.0007556900000000, 0.0015367800000000, 0.0022956900000000 ] - [ 0.0006429900000000, 0.0007707400000000, 0.0005775900000000 ] - [ -0.0004504200000000, 0.0011515600000000, -0.0000876800000000 ] - [ -0.0006351800000000, -0.0006652800000000, -0.0002482600000000 ] - [ 0.0004421200000000, 0.0009089100000000, 0.0000636200000000 ] - [ 0.0001501200000000, 0.0008604100000000, 0.0000538600000000 ] - [ -0.0007950500000000, 0.0011613500000000, -0.0022861600000000 ] - [ -0.0007080000000000, 0.0014453000000000, 0.0001007500000000 ] - [ -0.0008176100000000, -0.0013209100000000, 0.0003125800000000 ] - [ -0.0024473300000000, 0.0024317800000000, 0.0008504000000000 ] - [ 0.0233837400000000, -0.0362818800000000, -0.0095055200000000 ] - [ -0.0001694200000000, 0.0010365000000000, 0.0000562200000000 ] - [ 0.0002541300000000, 0.0010616300000000, -0.0004878500000000 ] - [ -0.0000398700000000, -0.0000645200000000, 0.0009875600000000 ] - [ -0.0006183400000000, 0.0010666800000000, -0.0001547700000000 ] - [ -0.0003518300000000, -0.0006242600000000, -0.0001347500000000 ] - [ 0.0001043700000000, -0.0003361600000000, 0.0001944600000000 ] - [ 0.0026020300000000, -0.0108814000000000, 0.0001543500000000 ] - [ -0.0052561000000000, 0.1061999200000000, 0.0007704800000000 ] - [ -0.0008894300000000, -0.0020419500000000, -0.0030931100000000 ] - [ -0.0006630200000000, -0.0005908000000000, -0.0001639400000000 ] - [ -0.0001750500000000, -0.0009677300000000, 0.0003135800000000 ] - [ 0.0005796100000000, -0.0000160500000000, 0.0003857700000000 ] - [ -0.0002883300000000, -0.0017364900000000, 0.0001285300000000 ] - [ 0.0001143700000000, -0.0008158900000000, -0.0001684700000000 ] - [ -0.0001728700000000, -0.0006021000000000, 0.0000908000000000 ] - [ 0.0006092000000000, 0.0001539700000000, -0.0003981300000000 ] - [ 0.0004607100000000, -0.0007640300000000, -0.0000609900000000 ] - [ 0.0003818100000000, 0.0014749100000000, -0.0000701800000000 ] - [ -0.0003354700000000, -0.0006275000000000, 0.0000463300000000 ] - [ -0.0006175100000000, 0.0034478200000000, -0.0001795000000000 ] - [ -0.0001971000000000, -0.0005782800000000, -0.0006246200000000 ] - [ 0.0004366300000000, -0.0007608400000000, -0.0000080700000000 ] - [ -0.0051206300000000, -0.0018861400000000, 0.0001661500000000 ] - [ 0.0003929200000000, 0.0007528100000000, 0.0001560800000000 ] - [ -0.0000879400000000, 0.0013587300000000, 0.0002696300000000 ] - [ 0.0001414700000000, -0.0007375000000000, -0.0002910900000000 ] - [ -0.0000813800000000, -0.0004929200000000, -0.0002083200000000 ] - [ -0.0002161900000000, -0.0004545500000000, 0.0001696000000000 ] - [ 0.0001253700000000, -0.0005703600000000, 0.0001631700000000 ] - [ 0.0024319500000000, -0.0093913700000000, -0.0002925100000000 ] - [ 0.0001575400000000, -0.0004623100000000, 0.0000156000000000 ] - [ 0.0000820500000000, -0.0007443200000000, -0.0003131700000000 ] - [ -0.0000404700000000, -0.0010248200000000, 0.0001438200000000 ] - [ -0.0002643700000000, -0.0021610200000000, -0.0001510700000000 ] - [ -0.0005256300000000, 0.0006710500000000, 0.0005755600000000 ] - [ 0.0007740100000000, -0.0005701100000000, 0.0004118400000000 ] - [ 0.0007883800000000, -0.0004001400000000, 0.0003662500000000 ] - [ -0.0000748200000000, -0.0001822900000000, -0.0001963900000000 ] - [ -0.0001973800000000, -0.0008098900000000, 0.0000869200000000 ] - [ 0.0001132900000000, -0.0013035600000000, -0.0001823200000000 ] - [ 0.0010026700000000, -0.0005147000000000, 0.0003179300000000 ] - [ 0.0004348300000000, -0.0008690300000000, -0.0000118600000000 ] - [ 0.0046517500000000, -0.0014614600000000, -0.0003649500000000 ] - [ -0.0004648300000000, -0.0005669100000000, -0.0000027700000000 ] - [ -0.0000884100000000, -0.0001977700000000, -0.0003378900000000 ] - [ 0.0007878000000000, 0.0008492500000000, 0.0002008600000000 ] - [ 0.0000416000000000, -0.0002954500000000, -0.0002196100000000 ] - [ -0.0000845500000000, -0.0005032900000000, 0.0001158300000000 ] - [ -0.0000712500000000, -0.0008317700000000, 0.0003140000000000 ] - [ 0.0009740200000000, -0.0014352500000000, 0.0034046700000000 ] - [ 0.0001182800000000, 0.0007315600000000, -0.0000666400000000 ]- atom: 41 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ -0.0000379000000000, 0.0003430900000000, 0.0001536500000000 ] - [ -0.0004841000000000, 0.0001252600000000, 0.0010779900000000 ] - [ 0.0000047400000000, -0.0000582300000000, 0.0000105100000000 ] - [ 0.0002106100000000, 0.0000690000000000, 0.0005438900000000 ] - [ -0.0000991200000000, -0.0017236900000000, -0.0009596400000000 ] - [ -0.0000254800000000, 0.0000654300000000, -0.0000304600000000 ] - [ -0.0000202100000000, 0.0003364100000000, -0.0000150200000000 ] - [ -0.0000009000000000, 0.0000516500000000, -0.0000050800000000 ] - [ -0.0000519300000000, 0.0015957200000000, -0.0009758600000000 ] - [ 0.0000024800000000, -0.0004156900000000, -0.0000296600000000 ] - [ 0.0000221800000000, -0.0000422800000000, 0.0000245400000000 ] - [ 0.0001835400000000, -0.0005386000000000, 0.0006301100000000 ] - [ -0.0008851600000000, 0.0000892600000000, -0.0003064900000000 ] - [ -0.0000958100000000, 0.0000300000000000, 0.0000081500000000 ] - [ 0.0096138800000000, -0.0001217700000000, 0.0392121400000000 ] - [ -0.0135096000000000, -0.0103070300000000, 0.0085720300000000 ] - [ 0.0000116200000000, -0.0000165700000000, -0.0000019100000000 ] - [ 0.0000667600000000, 0.0000575000000000, 0.0005227300000000 ] - [ -0.0004308900000000, -0.0000285100000000, -0.0000748100000000 ] - [ 0.0000157600000000, -0.0002397600000000, -0.0005266400000000 ] - [ 0.0004269700000000, -0.0000443600000000, 0.0000630300000000 ] - [ -0.0000869200000000, 0.0001936700000000, -0.0000223100000000 ] - [ 0.0009069900000000, 0.0016928000000000, -0.0003326900000000 ] - [ 0.0000690100000000, -0.0002337400000000, 0.0004296700000000 ] - [ -0.0004543400000000, 0.0000457200000000, -0.0000601500000000 ] - [ 0.0002072200000000, 0.0002659200000000, 0.0000673500000000 ] - [ 0.0004296300000000, 0.0000338600000000, 0.0000669000000000 ] - [ 0.0000147900000000, -0.0000008500000000, 0.0000034700000000 ] - [ 0.0008227900000000, -0.0014359900000000, 0.0002505700000000 ] - [ -0.0000844600000000, 0.0002429600000000, 0.0005273900000000 ] - [ -0.0005060600000000, -0.0001453700000000, -0.0000606100000000 ] - [ -0.0003750700000000, -0.0002922000000000, -0.0002174300000000 ] - [ -0.0160552400000000, 0.0134069000000000, 0.0100874400000000 ] - [ -0.0000130100000000, 0.0000074700000000, -0.0000068400000000 ] - [ 0.0000007800000000, 0.0002610900000000, -0.0005111500000000 ] - [ 0.0000646000000000, -0.0002139900000000, 0.0005040500000000 ] - [ -0.0001452900000000, 0.0004587300000000, -0.0000010700000000 ] - [ 0.0000914800000000, -0.0001376500000000, 0.0002675600000000 ] - [ -0.0000042000000000, 0.0003565000000000, 0.0001631800000000 ] - [ -0.0006651300000000, 0.0016723100000000, 0.0007022200000000 ] - [ 0.0304113100000000, -0.0037195700000000, -0.0901555000000000 ] - [ -0.0039193300000000, -0.0038213600000000, 0.0129891600000000 ] - [ -0.0005852500000000, -0.0002208100000000, -0.0002607500000000 ] - [ -0.0000784500000000, -0.0000514000000000, 0.0003067000000000 ] - [ 0.0000933500000000, 0.0002244000000000, 0.0002463300000000 ] - [ -0.0001774100000000, -0.0001808200000000, 0.0001613200000000 ] - [ 0.0001242000000000, -0.0002534300000000, -0.0000336100000000 ] - [ -0.0000615100000000, -0.0001576600000000, 0.0000447900000000 ] - [ -0.0003403100000000, 0.0001378600000000, -0.0001426500000000 ] - [ 0.0002169100000000, -0.0002653200000000, -0.0001579600000000 ] - [ 0.0016314700000000, -0.0000408000000000, 0.0008627300000000 ] - [ -0.0004861700000000, -0.0000269100000000, -0.0000008700000000 ] - [ 0.0021104300000000, 0.0002500900000000, 0.0044936400000000 ] - [ -0.0002233600000000, 0.0001078200000000, -0.0002007600000000 ] - [ 0.0004810600000000, -0.0000393800000000, 0.0000005300000000 ] - [ -0.0015142200000000, -0.0017173100000000, -0.0008768900000000 ] - [ -0.0000183700000000, 0.0002756300000000, -0.0000921100000000 ] - [ 0.0003416600000000, -0.0000026100000000, 0.0013957700000000 ] - [ 0.0000940500000000, -0.0000245500000000, -0.0002980000000000 ] - [ -0.0000068700000000, 0.0003359900000000, -0.0001400200000000 ] - [ -0.0002076500000000, 0.0002812400000000, 0.0001576200000000 ] - [ 0.0002086300000000, -0.0002148500000000, 0.0002532900000000 ] - [ -0.0000549900000000, -0.0007134100000000, 0.0007062000000000 ] - [ -0.0000551900000000, 0.0001742100000000, 0.0000548200000000 ] - [ 0.0000980700000000, 0.0000293500000000, -0.0003140600000000 ] - [ -0.0000023500000000, -0.0003298300000000, 0.0001660900000000 ] - [ -0.0001856500000000, -0.0004233300000000, -0.0002713400000000 ] - [ -0.0003269800000000, -0.0004120000000000, 0.0003424900000000 ] - [ 0.0003369600000000, 0.0002769800000000, 0.0002519600000000 ] - [ -0.0008191700000000, -0.0002845700000000, 0.0000970700000000 ] - [ -0.0000788400000000, -0.0001490800000000, -0.0000475700000000 ] - [ 0.0000221100000000, -0.0000704000000000, 0.0000364400000000 ] - [ 0.0000176900000000, -0.0003299800000000, -0.0001667100000000 ] - [ 0.0001869100000000, -0.0003433700000000, -0.0002145100000000 ] - [ 0.0004805100000000, 0.0000242900000000, -0.0000019800000000 ] - [ -0.0023223300000000, 0.0023122900000000, -0.0010066900000000 ] - [ -0.0004692500000000, 0.0000344400000000, 0.0000028000000000 ] - [ -0.0002615900000000, 0.0002222900000000, -0.0002651500000000 ] - [ 0.0005241500000000, -0.0002431600000000, -0.0001294100000000 ] - [ 0.0002009600000000, 0.0002794400000000, -0.0001607700000000 ] - [ 0.0000575800000000, 0.0001616600000000, -0.0000454800000000 ] - [ -0.0000933300000000, 0.0000268600000000, 0.0003116800000000 ] - [ -0.0044867300000000, 0.0032546600000000, 0.0125457200000000 ] - [ 0.0000023000000000, 0.0002214800000000, -0.0001951000000000 ]- atom: 41 displacement: [ 0.0032041063292312, 0.0000000000000000, -0.0094727874794582 ] forces: - [ 0.0000388300000000, 0.0004578200000000, -0.0001443100000000 ] - [ 0.0004757600000000, -0.0000285200000000, -0.0010860100000000 ] - [ -0.0000035100000000, -0.0000386400000000, -0.0000114800000000 ] - [ -0.0002116500000000, -0.0008739700000000, -0.0005524300000000 ] - [ 0.0000926300000000, 0.0016008100000000, 0.0009673100000000 ] - [ 0.0000253400000000, 0.0000576100000000, 0.0000304000000000 ] - [ 0.0000205200000000, 0.0004636600000000, 0.0000174800000000 ] - [ 0.0000009000000000, 0.0000460300000000, 0.0000058700000000 ] - [ 0.0000463600000000, -0.0016920100000000, 0.0009853300000000 ] - [ -0.0000030000000000, -0.0003855500000000, 0.0000263400000000 ] - [ -0.0000207300000000, -0.0000798600000000, -0.0000246000000000 ] - [ -0.0001846900000000, 0.0006654900000000, -0.0006381800000000 ] - [ 0.0000356900000000, -0.0000144600000000, 0.0001820800000000 ] - [ 0.0000967600000000, -0.0000454300000000, -0.0000119800000000 ] - [ -0.0091873700000000, 0.0002071000000000, -0.0413397800000000 ] - [ 0.0132787900000000, 0.0098980800000000, -0.0085683700000000 ] - [ -0.0000094500000000, 0.0000005000000000, 0.0000010300000000 ] - [ -0.0000452100000000, 0.0005055800000000, 0.0005134800000000 ] - [ -0.0004090000000000, -0.0000457800000000, -0.0000505000000000 ] - [ -0.0000397200000000, -0.0003189100000000, -0.0005105700000000 ] - [ 0.0004130600000000, -0.0000308200000000, 0.0000572500000000 ] - [ 0.0000857300000000, -0.0001772700000000, 0.0000212900000000 ] - [ -0.0009164300000000, -0.0011038500000000, -0.0007138400000000 ] - [ -0.0000420700000000, -0.0003218400000000, 0.0006116700000000 ] - [ -0.0003924900000000, 0.0000291400000000, -0.0000613600000000 ] - [ -0.0002113500000000, -0.0002887000000000, -0.0000714700000000 ] - [ 0.0004153500000000, 0.0000418300000000, 0.0000604900000000 ] - [ -0.0000162900000000, 0.0000164100000000, -0.0000011700000000 ] - [ -0.0008065500000000, 0.0013903900000000, -0.0002595000000000 ] - [ 0.0001076700000000, 0.0003130700000000, 0.0005093500000000 ] - [ -0.0003422700000000, 0.0000686100000000, -0.0000676800000000 ] - [ 0.0003457700000000, -0.0002670500000000, -0.0008070400000000 ] - [ 0.0166063400000000, -0.0130080300000000, -0.0099657900000000 ] - [ 0.0000116300000000, 0.0000078800000000, 0.0000087300000000 ] - [ -0.0000257100000000, 0.0002957600000000, -0.0005270600000000 ] - [ -0.0000409500000000, -0.0003449700000000, 0.0005350000000000 ] - [ -0.0002816200000000, 0.0000966800000000, 0.0003192100000000 ] - [ 0.0003238400000000, -0.0002722800000000, 0.0002479900000000 ] - [ 0.0000157600000000, 0.0003265800000000, 0.0001616600000000 ] - [ 0.0005587500000000, -0.0013284500000000, -0.0005627700000000 ] - [ -0.0293107800000000, 0.0037178100000000, 0.0918155200000000 ] - [ 0.0039225200000000, 0.0030244400000000, -0.0126554300000000 ] - [ 0.0001724000000000, -0.0001878200000000, -0.0002534500000000 ] - [ -0.0001217900000000, -0.0000049300000000, 0.0003058700000000 ] - [ 0.0003265700000000, 0.0001829600000000, 0.0002679800000000 ] - [ -0.0002554100000000, -0.0003733200000000, 0.0001513300000000 ] - [ -0.0000342000000000, -0.0000536900000000, -0.0000863100000000 ] - [ -0.0000276700000000, -0.0001518600000000, 0.0000722800000000 ] - [ 0.0003356500000000, -0.0008160300000000, -0.0001835500000000 ] - [ 0.0002145900000000, -0.0002912700000000, -0.0001558900000000 ] - [ -0.0006936700000000, 0.0001031200000000, -0.0008676900000000 ] - [ -0.0004529400000000, -0.0000354600000000, 0.0000036900000000 ] - [ -0.0030412200000000, -0.0001892100000000, -0.0045159100000000 ] - [ -0.0001983000000000, 0.0002941200000000, -0.0003114400000000 ] - [ 0.0004464400000000, -0.0000216000000000, -0.0000075900000000 ] - [ 0.0019686500000000, 0.0022887000000000, 0.0005504300000000 ] - [ 0.0001086100000000, 0.0000300900000000, -0.0000245400000000 ] - [ -0.0005310400000000, 0.0000646700000000, -0.0007714900000000 ] - [ 0.0001051100000000, -0.0000359600000000, -0.0003064900000000 ] - [ -0.0000008300000000, 0.0003394400000000, -0.0001873300000000 ] - [ -0.0002239700000000, 0.0002770900000000, 0.0001559700000000 ] - [ 0.0002134800000000, -0.0001943600000000, 0.0002613200000000 ] - [ 0.0000717900000000, 0.0013557600000000, -0.0003726400000000 ] - [ -0.0000330900000000, 0.0001323800000000, 0.0000616300000000 ] - [ 0.0001074800000000, 0.0000246500000000, -0.0003053600000000 ] - [ 0.0000085500000000, -0.0003424500000000, 0.0001656100000000 ] - [ -0.0002321900000000, 0.0000111500000000, -0.0002451600000000 ] - [ 0.0001327500000000, 0.0003579300000000, 0.0002753500000000 ] - [ 0.0000814900000000, 0.0001301900000000, 0.0002620300000000 ] - [ 0.0003957200000000, -0.0002758300000000, 0.0002174200000000 ] - [ 0.0001707500000000, -0.0001616500000000, -0.0000679900000000 ] - [ -0.0001101800000000, -0.0002277700000000, 0.0000839500000000 ] - [ -0.0000277700000000, -0.0003445600000000, -0.0001615300000000 ] - [ 0.0002375900000000, -0.0002114100000000, -0.0000996200000000 ] - [ 0.0004505900000000, 0.0000401600000000, -0.0000053200000000 ] - [ 0.0014029900000000, -0.0023880400000000, 0.0009921100000000 ] - [ -0.0004546900000000, 0.0000283000000000, 0.0000040900000000 ] - [ -0.0001591600000000, 0.0001864500000000, -0.0002506000000000 ] - [ 0.0004005300000000, 0.0001817900000000, 0.0001239700000000 ] - [ 0.0002295100000000, 0.0002775200000000, -0.0001542700000000 ] - [ 0.0000326400000000, 0.0001455500000000, -0.0000739500000000 ] - [ -0.0001072600000000, 0.0000318100000000, 0.0002999500000000 ] - [ 0.0046798400000000, -0.0031960800000000, -0.0131590400000000 ] - [ -0.0000054900000000, 0.0004545300000000, -0.0001339900000000 ]- atom: 51 displacement: [ 0.0099999882766160, 0.0000000000000000, 0.0000153123330198 ] forces: - [ -0.0006997100000000, 0.0002625200000000, -0.0004011400000000 ] - [ 0.0172916700000000, -0.0000244700000000, -0.0129885200000000 ] - [ -0.0001395000000000, -0.0000605800000000, -0.0000651200000000 ] - [ 0.0012065500000000, 0.0001911500000000, 0.0006539800000000 ] - [ 0.0043370800000000, -0.0040505000000000, 0.0036263100000000 ] - [ -0.0003430400000000, -0.0000095700000000, -0.0002074800000000 ] - [ 0.0004245500000000, 0.0003061400000000, 0.0002627900000000 ] - [ -0.0001172100000000, 0.0000613700000000, -0.0000703600000000 ] - [ 0.0041781900000000, 0.0029651600000000, 0.0030274700000000 ] - [ -0.0004433300000000, -0.0002752800000000, -0.0002896800000000 ] - [ -0.0001924800000000, -0.0000354100000000, -0.0000961800000000 ] - [ 0.0012531600000000, -0.0004994200000000, 0.0006440200000000 ] - [ 0.0847655200000000, -0.0036971800000000, 0.0339546200000000 ] - [ -0.0002538300000000, 0.0001725900000000, -0.0000363500000000 ] - [ -0.0027103700000000, -0.0000428600000000, 0.0003353200000000 ] - [ -0.0024922000000000, -0.0003039100000000, -0.0015541200000000 ] - [ 0.0000892400000000, -0.0000651600000000, -0.0000184800000000 ] - [ 0.0018682600000000, -0.0029094500000000, -0.0002094600000000 ] - [ -0.0005525600000000, 0.0000499800000000, -0.0000817300000000 ] - [ 0.0002431000000000, -0.0004235700000000, -0.0003965900000000 ] - [ 0.0004210800000000, -0.0000812300000000, 0.0000880600000000 ] - [ 0.0019648600000000, -0.0024520000000000, 0.0028708400000000 ] - [ -0.0003741100000000, 0.0007937800000000, -0.0006875200000000 ] - [ -0.0002385300000000, 0.0002031500000000, 0.0004875000000000 ] - [ -0.0005434900000000, 0.0000541100000000, -0.0000579000000000 ] - [ 0.0019868100000000, 0.0028437700000000, -0.0003569500000000 ] - [ 0.0004207000000000, 0.0000527000000000, 0.0000680500000000 ] - [ 0.0000471200000000, 0.0000469500000000, 0.0000133700000000 ] - [ -0.0002542900000000, -0.0006201000000000, 0.0001491600000000 ] - [ -0.0001304900000000, 0.0001133700000000, 0.0005896400000000 ] - [ 0.0015703100000000, 0.0022153100000000, 0.0026750400000000 ] - [ 0.0000656400000000, -0.0008096800000000, -0.0006723800000000 ] - [ -0.0018722800000000, 0.0004572900000000, -0.0014801000000000 ] - [ -0.0001000200000000, -0.0000238400000000, -0.0000346000000000 ] - [ 0.0001275300000000, 0.0003665400000000, -0.0004607300000000 ] - [ 0.0005227400000000, 0.0004109200000000, 0.0007705600000000 ] - [ -0.0027907600000000, 0.0004436500000000, -0.0031629600000000 ] - [ 0.0004187000000000, -0.0008058800000000, 0.0003510000000000 ] - [ -0.0000301500000000, 0.0004459600000000, 0.0001803700000000 ] - [ 0.0022191900000000, -0.0007187600000000, 0.0002273000000000 ] - [ 0.0011876500000000, 0.0000917900000000, 0.0012835500000000 ] - [ 0.0003947700000000, -0.0007178400000000, 0.0003123400000000 ] - [ -0.0013193600000000, 0.0000131700000000, -0.0006480400000000 ] - [ -0.0000360200000000, -0.0001275700000000, 0.0003263600000000 ] - [ 0.0001640800000000, 0.0009329300000000, 0.0001932700000000 ] - [ -0.0000614200000000, -0.0003359400000000, 0.0001967500000000 ] - [ 0.0002261700000000, -0.0004965500000000, -0.0000894900000000 ] - [ -0.0001411400000000, -0.0001794200000000, -0.0000449400000000 ] - [ 0.0056696600000000, 0.0049379600000000, -0.0001595600000000 ] - [ 0.0003088400000000, -0.0001149400000000, -0.0001327200000000 ] - [ -0.1425351400000000, 0.0046213200000000, -0.0341902100000000 ] - [ -0.0004048700000000, 0.0000484000000000, 0.0000205600000000 ] - [ 0.0056950400000000, 0.0001825400000000, 0.0051794800000000 ] - [ 0.0001164900000000, -0.0000323400000000, -0.0002291500000000 ] - [ 0.0005507500000000, -0.0000649600000000, 0.0000263200000000 ] - [ 0.0077857600000000, -0.0037267600000000, 0.0007127400000000 ] - [ 0.0000302400000000, 0.0008722900000000, -0.0000026900000000 ] - [ 0.0010888800000000, -0.0001575500000000, 0.0033956300000000 ] - [ 0.0001016500000000, -0.0000217500000000, -0.0002977200000000 ] - [ 0.0000895300000000, 0.0001540200000000, -0.0001347800000000 ] - [ -0.0001306100000000, 0.0003030200000000, 0.0001819900000000 ] - [ 0.0002283200000000, -0.0004779200000000, 0.0002088600000000 ] - [ 0.0011098300000000, 0.0012904200000000, -0.0000282000000000 ] - [ -0.0000981100000000, 0.0001505900000000, 0.0000185400000000 ] - [ 0.0001035900000000, 0.0000298600000000, -0.0002975900000000 ] - [ -0.0000049700000000, -0.0003819200000000, 0.0001677500000000 ] - [ -0.0000519000000000, -0.0000341500000000, -0.0002550900000000 ] - [ 0.0051714600000000, -0.0050748500000000, 0.0001638600000000 ] - [ 0.0002554900000000, 0.0004895200000000, 0.0002280400000000 ] - [ -0.0016531500000000, -0.0005587900000000, -0.0004694900000000 ] - [ 0.0002322400000000, -0.0010748500000000, -0.0000620400000000 ] - [ 0.0001609500000000, 0.0001419200000000, 0.0001279000000000 ] - [ 0.0000563100000000, -0.0002610800000000, -0.0001521300000000 ] - [ -0.0001045500000000, 0.0003383700000000, -0.0003247700000000 ] - [ 0.0005353500000000, 0.0000351000000000, 0.0000186600000000 ] - [ 0.0068782400000000, 0.0042932900000000, 0.0010323400000000 ] - [ -0.0004108600000000, 0.0000109400000000, 0.0000188200000000 ] - [ -0.0005005100000000, 0.0001401100000000, -0.0003470400000000 ] - [ -0.0020019000000000, -0.0000956100000000, -0.0032142000000000 ] - [ 0.0002790100000000, 0.0001436200000000, -0.0001377600000000 ] - [ 0.0000875900000000, 0.0002289400000000, -0.0000778500000000 ] - [ -0.0000554300000000, 0.0000045700000000, 0.0003212000000000 ] - [ 0.0005224700000000, 0.0003237900000000, -0.0001030500000000 ] - [ -0.0006640700000000, -0.0003912500000000, -0.0003834700000000 ]- atom: 51 displacement: [ -0.0099999882766160, 0.0000000000000000, -0.0000153123330198 ] forces: - [ 0.0007025900000000, 0.0005495800000000, 0.0004025600000000 ] - [ -0.0166662900000000, 0.0001233400000000, 0.0123020300000000 ] - [ 0.0001390100000000, -0.0000310600000000, 0.0000651000000000 ] - [ -0.0012005400000000, -0.0010133100000000, -0.0006523000000000 ] - [ -0.0043191500000000, 0.0037944300000000, -0.0035473000000000 ] - [ 0.0003437800000000, 0.0001436600000000, 0.0002098800000000 ] - [ -0.0004230300000000, 0.0005057500000000, -0.0002606300000000 ] - [ 0.0001169000000000, 0.0000304100000000, 0.0000702500000000 ] - [ -0.0041637900000000, -0.0029436100000000, -0.0029528100000000 ] - [ 0.0004446700000000, -0.0005346400000000, 0.0002906800000000 ] - [ 0.0001922500000000, -0.0000990100000000, 0.0000957000000000 ] - [ -0.0012486000000000, 0.0006442500000000, -0.0006427200000000 ] - [ -0.0892773000000000, 0.0039905700000000, -0.0360169300000000 ] - [ 0.0002646500000000, -0.0001930600000000, 0.0000329800000000 ] - [ 0.0035636900000000, 0.0001200600000000, -0.0001966500000000 ] - [ 0.0025060900000000, 0.0003192500000000, 0.0015627300000000 ] - [ -0.0001007200000000, 0.0000424900000000, 0.0000166800000000 ] - [ -0.0018816100000000, 0.0035105700000000, 0.0012480500000000 ] - [ -0.0002825100000000, -0.0001280900000000, -0.0000414200000000 ] - [ -0.0002760300000000, -0.0001522500000000, -0.0006362800000000 ] - [ 0.0004109200000000, 0.0000041400000000, 0.0000294600000000 ] - [ -0.0020077200000000, 0.0025026800000000, -0.0029066000000000 ] - [ 0.0003600500000000, -0.0002239400000000, -0.0003435100000000 ] - [ 0.0002626800000000, -0.0007733300000000, 0.0005462900000000 ] - [ -0.0002966800000000, 0.0000223200000000, -0.0000621400000000 ] - [ -0.0020149500000000, -0.0028937000000000, 0.0003507700000000 ] - [ 0.0004163500000000, 0.0000245900000000, 0.0000556800000000 ] - [ -0.0000578500000000, -0.0000258000000000, -0.0000098900000000 ] - [ 0.0002565100000000, 0.0005979700000000, -0.0001459100000000 ] - [ 0.0001510500000000, 0.0004563600000000, 0.0004449300000000 ] - [ -0.0024540300000000, -0.0023195900000000, -0.0028359600000000 ] - [ -0.0000853100000000, 0.0002386000000000, -0.0003637400000000 ] - [ 0.0027347500000000, -0.0005303700000000, 0.0016064100000000 ] - [ 0.0001093400000000, 0.0000438400000000, 0.0000359900000000 ] - [ -0.0001505900000000, 0.0002017000000000, -0.0005745600000000 ] - [ -0.0005115600000000, -0.0009856600000000, 0.0002613100000000 ] - [ 0.0023607800000000, 0.0001473000000000, 0.0034674100000000 ] - [ -0.0000224700000000, 0.0004121500000000, 0.0001629300000000 ] - [ 0.0000261800000000, 0.0002288900000000, 0.0001451300000000 ] - [ -0.0023218300000000, 0.0010223300000000, -0.0001094700000000 ] - [ -0.0010060500000000, -0.0000309000000000, -0.0018812700000000 ] - [ -0.0003983800000000, 0.0000403900000000, 0.0000025700000000 ] - [ 0.0009319400000000, -0.0003901200000000, 0.0001325700000000 ] - [ -0.0001465800000000, 0.0000663300000000, 0.0002913600000000 ] - [ 0.0002512700000000, -0.0005423400000000, 0.0003259600000000 ] - [ -0.0003946200000000, -0.0002209100000000, 0.0001093500000000 ] - [ -0.0001292200000000, 0.0001963700000000, -0.0000249100000000 ] - [ 0.0000444800000000, -0.0001194000000000, 0.0001602000000000 ] - [ -0.0058006600000000, -0.0057422200000000, -0.0001582800000000 ] - [ 0.0001480800000000, -0.0004430100000000, -0.0001718300000000 ] - [ 0.1465545300000000, -0.0047766800000000, 0.0366837200000000 ] - [ -0.0004647900000000, -0.0001120600000000, 0.0000067500000000 ] - [ -0.0065833900000000, -0.0001206500000000, -0.0051150600000000 ] - [ -0.0005270300000000, 0.0004275100000000, -0.0002916000000000 ] - [ 0.0003214000000000, 0.0000029600000000, -0.0000520600000000 ] - [ -0.0072622200000000, 0.0042341000000000, -0.0010144600000000 ] - [ 0.0000755000000000, -0.0005722600000000, -0.0001082800000000 ] - [ -0.0013013700000000, 0.0002129000000000, -0.0028693700000000 ] - [ 0.0000843300000000, -0.0000357400000000, -0.0003223600000000 ] - [ -0.0000846500000000, 0.0005218300000000, -0.0001912500000000 ] - [ -0.0003213700000000, 0.0002569600000000, 0.0001227600000000 ] - [ 0.0001801800000000, 0.0000828000000000, 0.0003096100000000 ] - [ -0.0011104500000000, -0.0006122800000000, 0.0003494100000000 ] - [ 0.0000001800000000, 0.0001517200000000, 0.0000975600000000 ] - [ 0.0000796400000000, 0.0000330900000000, -0.0003150000000000 ] - [ 0.0000010500000000, -0.0002942800000000, 0.0001549000000000 ] - [ -0.0003549600000000, -0.0003636300000000, -0.0002617300000000 ] - [ -0.0054691200000000, 0.0051388600000000, 0.0004531400000000 ] - [ 0.0001479900000000, -0.0000933100000000, 0.0002894800000000 ] - [ 0.0012058900000000, -0.0000190400000000, 0.0007759500000000 ] - [ -0.0001294400000000, 0.0007788500000000, -0.0000552300000000 ] - [ -0.0002655800000000, -0.0004513800000000, -0.0000134700000000 ] - [ -0.0000497600000000, -0.0004124500000000, -0.0001721300000000 ] - [ 0.0005616600000000, -0.0009021900000000, 0.0000216400000000 ] - [ 0.0003356200000000, 0.0000276400000000, -0.0000415800000000 ] - [ -0.0076796600000000, -0.0043027300000000, -0.0010083700000000 ] - [ -0.0004670100000000, 0.0000505700000000, -0.0000004600000000 ] - [ 0.0000990700000000, 0.0002551400000000, -0.0001682500000000 ] - [ 0.0029280500000000, 0.0000002100000000, 0.0032056100000000 ] - [ 0.0001763500000000, 0.0004174200000000, -0.0001646400000000 ] - [ 0.0000093400000000, 0.0000723100000000, -0.0000383100000000 ] - [ -0.0001275300000000, 0.0000590500000000, 0.0002958500000000 ] - [ -0.0003391400000000, -0.0003764500000000, -0.0005214000000000 ] - [ 0.0006767500000000, 0.0010771900000000, 0.0000687700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003147400000000, -0.0000565100000000, 0.0000955500000000 ] - [ 0.0000234500000000, 0.0031585200000000, -0.0002680300000000 ] - [ -0.0000635000000000, -0.0007181400000000, -0.0000020800000000 ] - [ 0.0012031400000000, -0.0012723400000000, 0.0000676200000000 ] - [ -0.0031394700000000, 0.0168364700000000, -0.0093489000000000 ] - [ -0.0001893700000000, -0.0005810200000000, -0.0001448800000000 ] - [ -0.0006845600000000, -0.0007920900000000, -0.0007340200000000 ] - [ -0.0000081200000000, -0.0006483000000000, -0.0000060800000000 ] - [ 0.0021725000000000, 0.0155785500000000, 0.0079232500000000 ] - [ 0.0001852700000000, -0.0011009300000000, 0.0001577700000000 ] - [ 0.0000613200000000, -0.0007708500000000, 0.0000133100000000 ] - [ -0.0012827300000000, -0.0007772200000000, 0.0001030800000000 ] - [ -0.0034638100000000, 0.0083308500000000, -0.0016106100000000 ] - [ -0.0000464700000000, -0.0006664200000000, -0.0000287300000000 ] - [ 0.0005183900000000, 0.0011643200000000, 0.0000522100000000 ] - [ 0.0012553500000000, 0.0016824700000000, 0.0007987400000000 ] - [ -0.0001796900000000, -0.0009417700000000, -0.0002856000000000 ] - [ -0.0015297100000000, -0.0005599600000000, -0.0004618800000000 ] - [ -0.0004520500000000, -0.0007195700000000, -0.0000426700000000 ] - [ -0.0009919700000000, -0.0020749100000000, 0.0005026400000000 ] - [ 0.0001911400000000, -0.0010439300000000, 0.0001491900000000 ] - [ -0.0025437000000000, 0.0018776700000000, 0.0005565100000000 ] - [ 0.0004812600000000, 0.0007213400000000, -0.0009499000000000 ] - [ -0.0000336300000000, -0.0008375700000000, 0.0006032500000000 ] - [ -0.0004203700000000, -0.0006838300000000, -0.0000579600000000 ] - [ 0.0015121500000000, -0.0011828000000000, 0.0008261700000000 ] - [ 0.0003970100000000, -0.0008323600000000, 0.0000358000000000 ] - [ 0.0000453300000000, -0.0009337800000000, -0.0000182000000000 ] - [ -0.0007128500000000, 0.0004349400000000, 0.0002057900000000 ] - [ 0.0001272900000000, -0.0005072500000000, 0.0006252300000000 ] - [ 0.0020562500000000, 0.0014223700000000, -0.0008057400000000 ] - [ -0.0001857600000000, -0.0006817900000000, -0.0005312400000000 ] - [ -0.0009506400000000, 0.0014795200000000, -0.0006402300000000 ] - [ 0.0000368600000000, -0.0006880000000000, -0.0000082700000000 ] - [ -0.0000750500000000, -0.0007481500000000, -0.0004902400000000 ] - [ 0.0001824400000000, -0.0010111500000000, 0.0002187200000000 ] - [ -0.0003386000000000, 0.0018709500000000, 0.0000660400000000 ] - [ -0.0002608700000000, 0.0000054500000000, 0.0001839000000000 ] - [ 0.0002638400000000, 0.0016476400000000, 0.0001507600000000 ] - [ -0.0000943000000000, 0.0001497500000000, 0.0000743400000000 ] - [ 0.0000705400000000, -0.0014160900000000, -0.0003890300000000 ] - [ -0.0001142500000000, -0.0011858400000000, -0.0000286200000000 ] - [ 0.0013198900000000, 0.0035763700000000, -0.0006773600000000 ] - [ -0.0000791300000000, 0.0005683000000000, 0.0003178100000000 ] - [ 0.0008460100000000, 0.0006753600000000, 0.0002037100000000 ] - [ -0.0001227000000000, 0.0000895400000000, 0.0001979700000000 ] - [ -0.0001703200000000, 0.0003230100000000, -0.0000874800000000 ] - [ 0.0002994400000000, 0.0005673500000000, -0.0000153100000000 ] - [ 0.0048026400000000, 0.0004016000000000, -0.0008124400000000 ] - [ 0.0003399700000000, 0.0001288900000000, -0.0001118400000000 ] - [ 0.0046873700000000, -0.0523691000000000, 0.0036691800000000 ] - [ -0.0003691700000000, 0.0004943100000000, 0.0000157100000000 ] - [ -0.0005939600000000, -0.0018710200000000, -0.0000782400000000 ] - [ -0.0002786300000000, 0.0003160600000000, -0.0002423600000000 ] - [ 0.0004797800000000, 0.0003874500000000, 0.0000054000000000 ] - [ -0.0041044300000000, 0.0001191600000000, -0.0008598600000000 ] - [ 0.0004141100000000, -0.0000332900000000, 0.0001624700000000 ] - [ -0.0003122100000000, -0.0033892100000000, 0.0000207200000000 ] - [ 0.0001312200000000, 0.0007001300000000, -0.0002838000000000 ] - [ 0.0000085100000000, 0.0008350600000000, -0.0001540500000000 ] - [ -0.0002829200000000, 0.0006989600000000, 0.0001233600000000 ] - [ 0.0000351200000000, 0.0003163800000000, 0.0003147000000000 ] - [ 0.0005379800000000, 0.0004703500000000, 0.0003014700000000 ] - [ -0.0004218200000000, 0.0010885800000000, 0.0000927700000000 ] - [ 0.0001485500000000, 0.0009271900000000, -0.0003023100000000 ] - [ -0.0000064500000000, 0.0003989100000000, 0.0001540500000000 ] - [ -0.0001179200000000, 0.0001945300000000, -0.0003127800000000 ] - [ -0.0055115400000000, 0.0014097800000000, 0.0009698400000000 ] - [ 0.0005304600000000, 0.0007283500000000, 0.0002225600000000 ] - [ 0.0001716400000000, 0.0038273400000000, 0.0002318000000000 ] - [ -0.0003680600000000, 0.0004344300000000, -0.0000095100000000 ] - [ 0.0000667000000000, -0.0000688200000000, 0.0000133900000000 ] - [ -0.0000135400000000, 0.0002688700000000, -0.0001673300000000 ] - [ 0.0008687500000000, -0.0002520400000000, 0.0000639100000000 ] - [ 0.0004489400000000, 0.0004957200000000, -0.0000104300000000 ] - [ 0.0038478300000000, -0.0001435500000000, 0.0006731000000000 ] - [ -0.0004208400000000, 0.0005436400000000, 0.0000205200000000 ] - [ -0.0003830400000000, 0.0009580200000000, -0.0002523800000000 ] - [ 0.0004930100000000, 0.0016128700000000, 0.0002720100000000 ] - [ 0.0002377800000000, 0.0008090500000000, -0.0001340900000000 ] - [ 0.0002476200000000, 0.0006808300000000, -0.0000746800000000 ] - [ -0.0001064600000000, 0.0006259700000000, 0.0003022700000000 ] - [ 0.0002392100000000, -0.0009108400000000, -0.0000367200000000 ] - [ -0.0002467100000000, 0.0004372900000000, -0.0002826700000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003167100000000, 0.0008463100000000, -0.0000964700000000 ] - [ -0.0001119700000000, -0.0030630800000000, 0.0003947500000000 ] - [ 0.0000650500000000, 0.0006144600000000, 0.0000018500000000 ] - [ -0.0012084700000000, 0.0004760300000000, -0.0000665600000000 ] - [ 0.0034468000000000, -0.0174365300000000, 0.0098382500000000 ] - [ 0.0001921400000000, 0.0006994700000000, 0.0001468800000000 ] - [ 0.0006784000000000, 0.0015835100000000, 0.0007289300000000 ] - [ 0.0000081700000000, 0.0007549700000000, 0.0000064500000000 ] - [ -0.0018966400000000, -0.0152120300000000, -0.0074744200000000 ] - [ -0.0001861700000000, 0.0003112600000000, -0.0001591100000000 ] - [ -0.0000624200000000, 0.0006517100000000, -0.0000136500000000 ] - [ 0.0012763200000000, 0.0009040500000000, -0.0000994200000000 ] - [ 0.0030408700000000, -0.0083089500000000, 0.0017421300000000 ] - [ 0.0000506400000000, 0.0006557900000000, 0.0000322300000000 ] - [ 0.0003005000000000, -0.0010888200000000, 0.0000715200000000 ] - [ -0.0012574800000000, -0.0016699300000000, -0.0008022300000000 ] - [ 0.0001771500000000, 0.0009340300000000, 0.0002812700000000 ] - [ 0.0015677200000000, 0.0011075700000000, 0.0014970000000000 ] - [ -0.0003764000000000, 0.0006419400000000, -0.0000783300000000 ] - [ 0.0009799200000000, 0.0015217600000000, -0.0015448500000000 ] - [ 0.0006445600000000, 0.0009718200000000, -0.0000325900000000 ] - [ 0.0025550200000000, -0.0018891700000000, -0.0005491700000000 ] - [ -0.0005043500000000, -0.0001662800000000, -0.0000805500000000 ] - [ 0.0000561700000000, 0.0002788500000000, 0.0004267200000000 ] - [ -0.0004128300000000, 0.0007587400000000, -0.0000612100000000 ] - [ -0.0014933200000000, 0.0011812300000000, -0.0008163900000000 ] - [ 0.0004390600000000, 0.0009115800000000, 0.0000887300000000 ] - [ -0.0000452900000000, 0.0009438100000000, 0.0000125300000000 ] - [ 0.0007080400000000, -0.0004429900000000, -0.0002140700000000 ] - [ -0.0001018500000000, 0.0010626500000000, 0.0004047600000000 ] - [ -0.0028852700000000, -0.0014806500000000, 0.0006787000000000 ] - [ 0.0001624000000000, 0.0001286400000000, -0.0004987900000000 ] - [ 0.0017881500000000, -0.0015601300000000, 0.0007619900000000 ] - [ -0.0000295500000000, 0.0006987200000000, 0.0000195700000000 ] - [ 0.0000539600000000, 0.0013046600000000, -0.0005356200000000 ] - [ -0.0001549700000000, 0.0004588800000000, 0.0008102400000000 ] - [ -0.0001196400000000, -0.0013241700000000, 0.0002251600000000 ] - [ 0.0006798100000000, -0.0004121800000000, 0.0003334000000000 ] - [ -0.0002624600000000, -0.0009656500000000, 0.0001764400000000 ] - [ 0.0000003300000000, 0.0001586600000000, 0.0000346900000000 ] - [ 0.0001340800000000, 0.0014715000000000, -0.0002142200000000 ] - [ 0.0001190800000000, 0.0005000500000000, 0.0003560700000000 ] - [ -0.0017592600000000, -0.0040312100000000, 0.0001688200000000 ] - [ -0.0001191200000000, -0.0006240600000000, 0.0002921200000000 ] - [ -0.0004321300000000, -0.0002648300000000, 0.0003140500000000 ] - [ -0.0003389500000000, -0.0006362600000000, 0.0001068900000000 ] - [ 0.0002682800000000, -0.0006334700000000, -0.0000199500000000 ] - [ -0.0003965300000000, -0.0008753400000000, 0.0001244300000000 ] - [ -0.0048247500000000, -0.0010867800000000, 0.0004909000000000 ] - [ 0.0001173100000000, -0.0006753100000000, -0.0001934700000000 ] - [ -0.0046969800000000, 0.0524971500000000, -0.0050608900000000 ] - [ -0.0005295900000000, -0.0005555100000000, -0.0000045600000000 ] - [ -0.0002909400000000, 0.0019356300000000, 0.0000921100000000 ] - [ -0.0001409400000000, 0.0000939800000000, -0.0002751400000000 ] - [ 0.0004116500000000, -0.0004461600000000, -0.0000195000000000 ] - [ 0.0045651500000000, 0.0004242000000000, 0.0005549700000000 ] - [ -0.0003162800000000, 0.0003487200000000, -0.0002718800000000 ] - [ 0.0001427200000000, 0.0034428600000000, 0.0006391000000000 ] - [ 0.0000659500000000, -0.0007588800000000, -0.0003252100000000 ] - [ -0.0000128500000000, -0.0001458900000000, -0.0001731900000000 ] - [ -0.0001744900000000, -0.0001528000000000, 0.0001809000000000 ] - [ 0.0003833800000000, -0.0007287500000000, 0.0002010100000000 ] - [ -0.0005349600000000, 0.0002160700000000, 0.0000239300000000 ] - [ 0.0003232400000000, -0.0007760200000000, 0.0000179600000000 ] - [ 0.0000500000000000, -0.0008783800000000, -0.0003118300000000 ] - [ 0.0000088000000000, -0.0010849100000000, 0.0001715700000000 ] - [ -0.0003021800000000, -0.0006038000000000, -0.0002048700000000 ] - [ 0.0052808400000000, -0.0014565000000000, -0.0003440100000000 ] - [ -0.0001104100000000, -0.0003194500000000, 0.0002934400000000 ] - [ -0.0006295400000000, -0.0043198100000000, 0.0000745400000000 ] - [ 0.0004639100000000, -0.0007452600000000, -0.0000976900000000 ] - [ -0.0001631700000000, -0.0002437500000000, 0.0000979400000000 ] - [ 0.0000105100000000, -0.0009574700000000, -0.0001616600000000 ] - [ -0.0004085600000000, -0.0002992300000000, -0.0003675500000000 ] - [ 0.0004384700000000, -0.0004356900000000, -0.0000033700000000 ] - [ -0.0047511100000000, 0.0000811000000000, -0.0006633400000000 ] - [ -0.0004653100000000, -0.0004854000000000, -0.0000063000000000 ] - [ -0.0000384500000000, -0.0005498900000000, -0.0002665400000000 ] - [ 0.0003952200000000, -0.0016735700000000, -0.0002960600000000 ] - [ 0.0002228000000000, -0.0002618200000000, -0.0001698800000000 ] - [ -0.0001524100000000, -0.0003740400000000, -0.0000301700000000 ] - [ -0.0000940600000000, -0.0005709400000000, 0.0003108400000000 ] - [ -0.0000395700000000, 0.0008553100000000, -0.0005744700000000 ] - [ 0.0002423700000000, 0.0002440700000000, -0.0000466000000000 ]- atom: 51 displacement: [ -0.0032041063292312, 0.0000000000000000, 0.0094727874794582 ] forces: - [ -0.0000003200000000, 0.0003751800000000, -0.0000892200000000 ] - [ -0.0172460000000000, -0.0001505200000000, 0.0179716800000000 ] - [ 0.0000011800000000, -0.0000465200000000, -0.0000090500000000 ] - [ -0.0002462100000000, -0.0003170000000000, 0.0001206300000000 ] - [ 0.0030889600000000, -0.0079325600000000, 0.0048188500000000 ] - [ 0.0000239900000000, 0.0000757200000000, 0.0000412100000000 ] - [ -0.0000202400000000, 0.0003887800000000, -0.0000216100000000 ] - [ 0.0000073600000000, 0.0000550800000000, 0.0000101500000000 ] - [ 0.0023235400000000, 0.0063374600000000, 0.0040687700000000 ] - [ 0.0000337700000000, -0.0004151600000000, 0.0000559600000000 ] - [ 0.0000036400000000, -0.0000513200000000, -0.0000099800000000 ] - [ -0.0002832600000000, -0.0000290400000000, 0.0000771400000000 ] - [ 0.0050585000000000, -0.0004467900000000, 0.0072333000000000 ] - [ 0.0000230400000000, -0.0000031200000000, 0.0000080300000000 ] - [ -0.0000738400000000, -0.0000462800000000, 0.0001836800000000 ] - [ 0.0002642300000000, 0.0001922900000000, 0.0000577400000000 ] - [ -0.0000113600000000, -0.0000037700000000, 0.0000110400000000 ] - [ -0.0005515000000000, 0.0006520000000000, 0.0009140800000000 ] - [ -0.0004146700000000, -0.0000356000000000, -0.0000618500000000 ] - [ -0.0001044800000000, -0.0002495700000000, -0.0005378700000000 ] - [ 0.0004040900000000, -0.0000293000000000, 0.0000513900000000 ] - [ 0.0007712700000000, -0.0009673900000000, -0.0016063500000000 ] - [ 0.0000408600000000, 0.0003098500000000, -0.0004163700000000 ] - [ 0.0000054200000000, -0.0003040000000000, 0.0005052100000000 ] - [ -0.0004122900000000, 0.0000428100000000, -0.0000583500000000 ] - [ -0.0003886900000000, -0.0002567500000000, 0.0002864800000000 ] - [ 0.0004143200000000, 0.0000419600000000, 0.0000650000000000 ] - [ -0.0000164000000000, 0.0000045000000000, -0.0000113700000000 ] - [ 0.0000391100000000, -0.0000148200000000, 0.0000260400000000 ] - [ 0.0000263800000000, 0.0002906400000000, 0.0005142500000000 ] - [ 0.0004517700000000, 0.0008733900000000, -0.0015553600000000 ] - [ -0.0000069300000000, -0.0002489400000000, -0.0005256000000000 ] - [ 0.0007299600000000, -0.0003503800000000, 0.0001448100000000 ] - [ 0.0000084400000000, 0.0000128700000000, 0.0000054800000000 ] - [ -0.0000175300000000, 0.0002820400000000, -0.0004980900000000 ] - [ 0.0000606800000000, -0.0001877300000000, 0.0003324200000000 ] - [ -0.0027977300000000, 0.0005135500000000, 0.0082661500000000 ] - [ 0.0001806600000000, -0.0001933700000000, 0.0002218700000000 ] - [ 0.0000211000000000, 0.0003475000000000, 0.0001529400000000 ] - [ -0.0004044500000000, 0.0001791600000000, 0.0000725500000000 ] - [ 0.0002168900000000, 0.0000690000000000, 0.0002042100000000 ] - [ 0.0000947200000000, -0.0004102800000000, 0.0000438400000000 ] - [ -0.0002800700000000, -0.0003571400000000, -0.0000039300000000 ] - [ -0.0001038500000000, -0.0000321200000000, 0.0003037200000000 ] - [ 0.0002292500000000, 0.0000330600000000, 0.0002738000000000 ] - [ -0.0002411400000000, -0.0002861500000000, 0.0001499800000000 ] - [ 0.0000438100000000, -0.0001503300000000, -0.0000412200000000 ] - [ -0.0000423900000000, -0.0001618200000000, 0.0000513400000000 ] - [ -0.0019882500000000, -0.0026329000000000, -0.0013028000000000 ] - [ 0.0002248900000000, -0.0002582400000000, -0.0001517600000000 ] - [ 0.0124783100000000, 0.0026760000000000, -0.0515217600000000 ] - [ -0.0004526000000000, -0.0000481000000000, 0.0000049400000000 ] - [ 0.0024561400000000, 0.0000643400000000, 0.0022197700000000 ] - [ -0.0002426400000000, 0.0002208700000000, -0.0002660300000000 ] - [ 0.0004509500000000, -0.0000328300000000, -0.0000053200000000 ] - [ -0.0009740000000000, 0.0009140100000000, -0.0010303100000000 ] - [ 0.0002091700000000, 0.0004170800000000, -0.0001336800000000 ] - [ 0.0025534700000000, -0.0001002300000000, 0.0048099200000000 ] - [ 0.0001005300000000, -0.0000262400000000, -0.0003038000000000 ] - [ 0.0000009600000000, 0.0003419400000000, -0.0001655200000000 ] - [ -0.0002315800000000, 0.0002731200000000, 0.0001515200000000 ] - [ 0.0002153100000000, -0.0002491100000000, 0.0002667300000000 ] - [ -0.0001735300000000, 0.0002829300000000, 0.0002213500000000 ] - [ -0.0000428100000000, 0.0001582100000000, 0.0000427700000000 ] - [ 0.0001038900000000, 0.0000282100000000, -0.0003083600000000 ] - [ 0.0000012200000000, -0.0003459200000000, 0.0001663700000000 ] - [ -0.0002317900000000, -0.0002112300000000, -0.0002606700000000 ] - [ -0.0017756500000000, 0.0019622200000000, -0.0006348400000000 ] - [ 0.0002009800000000, 0.0001893500000000, 0.0002677800000000 ] - [ -0.0003921900000000, -0.0001829400000000, 0.0004722400000000 ] - [ 0.0000050700000000, 0.0000631800000000, -0.0000177200000000 ] - [ -0.0000639100000000, -0.0001781000000000, 0.0000493100000000 ] - [ -0.0000057000000000, -0.0003467000000000, -0.0001655400000000 ] - [ 0.0001740100000000, -0.0002512100000000, -0.0002168700000000 ] - [ 0.0004431800000000, 0.0000275300000000, -0.0000084200000000 ] - [ -0.0018199000000000, -0.0007799100000000, -0.0009535200000000 ] - [ -0.0004485000000000, 0.0000271400000000, 0.0000060500000000 ] - [ -0.0002146800000000, 0.0002017900000000, -0.0002546400000000 ] - [ -0.0018112000000000, -0.0002434300000000, 0.0077499700000000 ] - [ 0.0002280600000000, 0.0002975800000000, -0.0001525600000000 ] - [ 0.0000466900000000, 0.0001515900000000, -0.0000484100000000 ] - [ -0.0001012800000000, 0.0000249100000000, 0.0003088800000000 ] - [ 0.0001833600000000, 0.0000562900000000, -0.0004229100000000 ] - [ -0.0000095800000000, 0.0001097300000000, -0.0002096800000000 ]- atom: 51 displacement: [ 0.0032041063292312, 0.0000000000000000, -0.0094727874794582 ] forces: - [ 0.0000017600000000, 0.0004431400000000, 0.0000914900000000 ] - [ 0.0181777600000000, 0.0002519400000000, -0.0186314100000000 ] - [ -0.0000008300000000, -0.0000489700000000, 0.0000054200000000 ] - [ 0.0002381900000000, -0.0004936000000000, -0.0001267800000000 ] - [ -0.0029867300000000, 0.0076896600000000, -0.0048476200000000 ] - [ -0.0000242600000000, 0.0000625600000000, -0.0000368200000000 ] - [ 0.0000194300000000, 0.0004283000000000, 0.0000233600000000 ] - [ -0.0000081900000000, 0.0000430500000000, -0.0000085800000000 ] - [ -0.0022341600000000, -0.0063415600000000, -0.0040885200000000 ] - [ -0.0000360400000000, -0.0004018300000000, -0.0000588200000000 ] - [ -0.0000041400000000, -0.0000913300000000, 0.0000087400000000 ] - [ 0.0002768100000000, 0.0001644300000000, -0.0000830000000000 ] - [ -0.0054850600000000, 0.0005074200000000, -0.0071689500000000 ] - [ -0.0000219100000000, -0.0000187900000000, -0.0000165600000000 ] - [ 0.0009331600000000, 0.0001228100000000, -0.0000565200000000 ] - [ -0.0002629100000000, -0.0001711400000000, -0.0000514000000000 ] - [ 0.0000127000000000, -0.0000149800000000, -0.0000088800000000 ] - [ 0.0005761600000000, -0.0000939600000000, 0.0001149800000000 ] - [ -0.0004381600000000, -0.0000415500000000, -0.0000666600000000 ] - [ 0.0000869200000000, -0.0003160100000000, -0.0004967600000000 ] - [ 0.0004472800000000, -0.0000459000000000, 0.0000727800000000 ] - [ -0.0007653900000000, 0.0009937200000000, 0.0016163000000000 ] - [ -0.0000578600000000, 0.0002573100000000, -0.0006199700000000 ] - [ 0.0000126200000000, -0.0002618900000000, 0.0005361400000000 ] - [ -0.0004413600000000, 0.0000330800000000, -0.0000693200000000 ] - [ 0.0003925600000000, 0.0002427400000000, -0.0002985300000000 ] - [ 0.0004367400000000, 0.0000355600000000, 0.0000633300000000 ] - [ 0.0000146700000000, 0.0000145300000000, 0.0000166100000000 ] - [ -0.0000382500000000, -0.0000043600000000, -0.0000243200000000 ] - [ -0.0000092100000000, 0.0002770300000000, 0.0005221600000000 ] - [ -0.0012913000000000, -0.0009570900000000, 0.0014416000000000 ] - [ -0.0000109400000000, -0.0003153500000000, -0.0005103900000000 ] - [ 0.0001292400000000, 0.0002719100000000, -0.0000163000000000 ] - [ -0.0000074300000000, 0.0000075700000000, -0.0000068800000000 ] - [ -0.0000000100000000, 0.0002824000000000, -0.0005402000000000 ] - [ -0.0000429400000000, -0.0003775200000000, 0.0007078900000000 ] - [ 0.0023881000000000, -0.0000529100000000, -0.0079477300000000 ] - [ 0.0002335800000000, -0.0002146000000000, 0.0002947600000000 ] - [ -0.0000163600000000, 0.0003399500000000, 0.0001772700000000 ] - [ 0.0003280300000000, 0.0001113300000000, 0.0000398100000000 ] - [ -0.0000136600000000, -0.0000070600000000, -0.0008235300000000 ] - [ -0.0000957100000000, -0.0002724700000000, 0.0002950100000000 ] - [ -0.0001299900000000, -0.0000445100000000, -0.0005137700000000 ] - [ -0.0000984500000000, -0.0000292600000000, 0.0003101500000000 ] - [ 0.0001811800000000, 0.0003743700000000, 0.0002426300000000 ] - [ -0.0001852100000000, -0.0002596400000000, 0.0001668800000000 ] - [ 0.0000361900000000, -0.0001379500000000, -0.0000740600000000 ] - [ -0.0000413300000000, -0.0001342600000000, 0.0000663000000000 ] - [ 0.0020102600000000, 0.0019613200000000, 0.0009613300000000 ] - [ 0.0002068100000000, -0.0002873100000000, -0.0001635400000000 ] - [ -0.0131682300000000, -0.0025925300000000, 0.0520845800000000 ] - [ -0.0004727200000000, -0.0000103000000000, -0.0000009100000000 ] - [ -0.0033671800000000, -0.0000088900000000, -0.0021890600000000 ] - [ -0.0001710700000000, 0.0001882000000000, -0.0002511300000000 ] - [ 0.0004639300000000, -0.0000256900000000, -0.0000029200000000 ] - [ 0.0013953700000000, -0.0003640200000000, 0.0007083600000000 ] - [ -0.0001330600000000, -0.0001320200000000, 0.0000161800000000 ] - [ -0.0027820800000000, 0.0001673700000000, -0.0042521500000000 ] - [ 0.0000989700000000, -0.0000381500000000, -0.0003029800000000 ] - [ -0.0000039900000000, 0.0003427700000000, -0.0001704200000000 ] - [ -0.0001984300000000, 0.0002712500000000, 0.0001651300000000 ] - [ 0.0001983900000000, -0.0001604600000000, 0.0002495100000000 ] - [ 0.0001809400000000, 0.0003974600000000, 0.0001122400000000 ] - [ -0.0000375900000000, 0.0001313500000000, 0.0000724500000000 ] - [ 0.0001007000000000, 0.0000293700000000, -0.0003128200000000 ] - [ 0.0000002700000000, -0.0003341800000000, 0.0001715600000000 ] - [ -0.0001785900000000, -0.0001938800000000, -0.0002578500000000 ] - [ 0.0015988900000000, -0.0020347000000000, 0.0012475900000000 ] - [ 0.0002064100000000, 0.0002198300000000, 0.0002458500000000 ] - [ -0.0000330600000000, -0.0003693100000000, -0.0001507900000000 ] - [ 0.0000739700000000, -0.0003532600000000, -0.0000952400000000 ] - [ -0.0000134000000000, -0.0001087100000000, 0.0000711300000000 ] - [ 0.0000036500000000, -0.0003369000000000, -0.0001705900000000 ] - [ 0.0002492500000000, -0.0002954900000000, -0.0001020200000000 ] - [ 0.0004765900000000, 0.0000303700000000, 0.0000004800000000 ] - [ 0.0008899200000000, 0.0007137900000000, 0.0009573200000000 ] - [ -0.0004579700000000, 0.0000314800000000, 0.0000054800000000 ] - [ -0.0001998700000000, 0.0002081400000000, -0.0002620100000000 ] - [ 0.0027278900000000, 0.0002701000000000, -0.0077598100000000 ] - [ 0.0001995600000000, 0.0002469000000000, -0.0001652700000000 ] - [ 0.0000338000000000, 0.0001385200000000, -0.0000669100000000 ] - [ -0.0001008600000000, 0.0000381900000000, 0.0003048400000000 ] - [ 0.0000183300000000, -0.0001216800000000, -0.0001891300000000 ] - [ 0.0000089500000000, 0.0005747100000000, -0.0001298200000000 ]