# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/dce2e279-3f16-44ec-a4aa-8db64f81c8e5/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 NaLiCO3 / P-6 (174) / materials id 557375](https://mdr.nims.go.jp/datasets/b649f2de-c07b-4796-8e7f-138f1c6185b7) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P-6" number: 174 Hall_symbol: "P -6"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 8.289951700000000, -0.000000010000000, 0.000000000000000 ] # a - [ -4.144975840000000, 7.179308770000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.264295520000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.037811550000000, 0.322967050000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.677032950000000, 0.714844520000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.285155480000000, 0.962188450000000, 0.500000000000000 ] mass: 22.989769 - symbol: Li # 4 coordinates: [ 0.380546530000000, 0.340887730000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.960341200000000, 0.619453470000000, 0.000000000000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.659112270000000, 0.039658800000000, 0.000000000000000 ] mass: 6.941000 - symbol: C # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 - symbol: C # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 12.010700 - symbol: C # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 12.010700 - symbol: O # 10 coordinates: [ 0.262754130000000, 0.487757650000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.512242350000000, 0.774996500000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.225003500000000, 0.737245870000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.911216250000000, 0.819583800000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.180416200000000, 0.091632460000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.842129620000000, 0.459411310000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.617281680000000, 0.157870380000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.540588690000000, 0.382718320000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.908367540000000, 0.088783750000000, 0.000000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.120627964659486, 0.069644587683884, 0.000000000000000 ] # a* - [ 0.000000000168022, 0.139289175703812, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.306344812800527 ] # c*unit_cell: lattice: - [ 8.289951700000000, -0.000000010000000, 0.000000000000000 ] # a - [ -4.144975840000000, 7.179308770000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.264295520000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.037811550000000, 0.322967050000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.677032950000000, 0.714844520000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.285155480000000, 0.962188450000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.380546530000000, 0.340887730000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.960341200000000, 0.619453470000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.659112270000000, 0.039658800000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 6 - symbol: C # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 7 - symbol: C # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 8 - symbol: C # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.262754130000000, 0.487757650000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.512242350000000, 0.774996500000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.225003500000000, 0.737245870000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.911216250000000, 0.819583800000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.180416200000000, 0.091632460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.842129620000000, 0.459411310000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.617281680000000, 0.157870380000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.540588690000000, 0.382718320000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.908367540000000, 0.088783750000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 18supercell: lattice: - [ 8.289951700000000, -0.000000010000000, 0.000000000000000 ] # a - [ -4.144975840000000, 7.179308770000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.792886559999999 ] # c points: - symbol: Na # 1 coordinates: [ 0.037811550000000, 0.322967050000000, 0.166666666666667 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.037811550000000, 0.322967050000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.037811550000000, 0.322967050000000, 0.833333333333333 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 4 coordinates: [ 0.677032950000000, 0.714844520000000, 0.166666666666667 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.677032950000000, 0.714844520000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 6 coordinates: [ 0.677032950000000, 0.714844520000000, 0.833333333333333 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 7 coordinates: [ 0.285155480000000, 0.962188450000000, 0.166666666666667 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.285155480000000, 0.962188450000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.285155480000000, 0.962188450000000, 0.833333333333333 ] mass: 22.989769 reduced_to: 7 - symbol: Li # 10 coordinates: [ 0.380546530000000, 0.340887730000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.380546530000000, 0.340887730000000, 0.333333333333333 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 12 coordinates: [ 0.380546530000000, 0.340887730000000, 0.666666666666667 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 13 coordinates: [ 0.960341200000000, 0.619453470000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.960341200000000, 0.619453470000000, 0.333333333333333 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.960341200000000, 0.619453470000000, 0.666666666666667 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 16 coordinates: [ 0.659112270000000, 0.039658800000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.659112270000000, 0.039658800000000, 0.333333333333333 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 18 coordinates: [ 0.659112270000000, 0.039658800000000, 0.666666666666667 ] mass: 6.941000 reduced_to: 16 - symbol: C # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 19 - symbol: C # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.333333333333333 ] mass: 12.010700 reduced_to: 19 - symbol: C # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.666666666666667 ] mass: 12.010700 reduced_to: 19 - symbol: C # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000000000000000 ] mass: 12.010700 reduced_to: 22 - symbol: C # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.333333333333333 ] mass: 12.010700 reduced_to: 22 - symbol: C # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666666666666667 ] mass: 12.010700 reduced_to: 22 - symbol: C # 25 coordinates: [ 0.666666670000000, 0.333333330000000, 0.166666666666667 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833333333333333 ] mass: 12.010700 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.262754130000000, 0.487757650000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.262754130000000, 0.487757650000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 30 coordinates: [ 0.262754130000000, 0.487757650000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 31 coordinates: [ 0.512242350000000, 0.774996500000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.512242350000000, 0.774996500000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.512242350000000, 0.774996500000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.225003500000000, 0.737245870000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.225003500000000, 0.737245870000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 34 - symbol: O # 36 coordinates: [ 0.225003500000000, 0.737245870000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 34 - symbol: O # 37 coordinates: [ 0.911216250000000, 0.819583800000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.911216250000000, 0.819583800000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.911216250000000, 0.819583800000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.180416200000000, 0.091632460000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.180416200000000, 0.091632460000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.180416200000000, 0.091632460000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.842129620000000, 0.459411310000000, 0.166666666666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.842129620000000, 0.459411310000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.842129620000000, 0.459411310000000, 0.833333333333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.617281680000000, 0.157870380000000, 0.166666666666667 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.617281680000000, 0.157870380000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.617281680000000, 0.157870380000000, 0.833333333333333 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.540588690000000, 0.382718320000000, 0.166666666666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.540588690000000, 0.382718320000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.540588690000000, 0.382718320000000, 0.833333333333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.908367540000000, 0.088783750000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.908367540000000, 0.088783750000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.908367540000000, 0.088783750000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 52born_effective_charge:- # 1 (Na) - [ 1.029307660000000, -0.053164930000000, 0.000000000000000 ] - [ 0.071827930000000, 1.137810120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.034707580000000 ]- # 2 (Na) - [ 1.118765821012695, -0.020179236598536, 0.000000000000000 ] - [ 0.104813623398822, 1.048351958987304, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.034707580000000 ]- # 3 (Na) - [ 1.102603188952316, -0.114145123270663, 0.000000000000000 ] - [ 0.010847736645140, 1.064514591047683, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.034707580000000 ]- # 4 (Li) - [ 1.181226830000000, 0.142629460000000, 0.000000000000000 ] - [ -0.107077550000000, 1.067377270000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.978306140000000 ]- # 5 (Li) - [ 1.080445231378026, 0.165263832948023, 0.000000000000000 ] - [ -0.084443176993265, 1.168158868621973, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.978306140000000 ]- # 6 (Li) - [ 1.111234088691871, 0.066667221870395, 0.000000000000000 ] - [ -0.183039788174288, 1.137370011308129, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.978306140000000 ]- # 7 (C) - [ 2.833308860000000, 0.005251260000000, 0.000000000000000 ] - [ -0.005251260000000, 2.833308860000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.272468780000000 ]- # 8 (C) - [ 2.745389310000000, -0.052279970000000, 0.000000000000000 ] - [ 0.052279970000000, 2.745389310000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.330638320000000 ]- # 9 (C) - [ 2.800702100000000, -0.021859480000000, 0.000000000000000 ] - [ 0.021859480000000, 2.800702100000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.282619720000000 ]- # 10 (O) - [ -1.089343050000000, 0.209967070000000, 0.000000000000000 ] - [ 0.180386710000000, -2.226690230000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.737942020000000 ]- # 11 (O) - [ -1.773325290018249, -0.575284040170911, 0.000000000000000 ] - [ -0.604864400647581, -1.542707989981751, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.737942020000000 ]- # 12 (O) - [ -2.111381579973470, 0.409687510104760, 0.000000000000000 ] - [ 0.380107150672373, -1.204651700026529, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.737942020000000 ]- # 13 (O) - [ -1.068419620000000, 0.030660530000000, 0.000000000000000 ] - [ 0.104194310000000, -2.315625610000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.735960870000000 ]- # 14 (O) - [ -1.945430253893489, -0.610536635391123, 0.000000000000000 ] - [ -0.537002855661475, -1.438614976106511, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.735960870000000 ]- # 15 (O) - [ -1.620184910000000, -0.656529900000000, 0.000000000000000 ] - [ -0.621694610000000, -1.681725300000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.834353100000000 ]- # 16 (O) - [ -1.112852753797887, 0.328786252699849, 0.000000000000000 ] - [ 0.363621543428935, -2.189057456202113, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.834353100000000 ]- # 17 (O) - [ -2.219827651211864, 0.275490711413682, 0.000000000000000 ] - [ 0.310326002506239, -1.082082558788136, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.834353100000000 ]- # 18 (O) - [ -2.062217971127095, 0.469575435187690, 0.000000000000000 ] - [ 0.543109215967721, -1.321827258872905, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.735960870000000 ]dielectric_constant: - [ 2.514541550000000, 0.000000150000000, 0.000000000000000 ] - [ -0.000000150000000, 2.514541550000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.044354900000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, -0.0000000000120628, 0.0000000000000000 ] forces: - [ -0.0266317300000000, -0.0037097500000000, 0.0000000000000000 ] - [ -0.0011854900000000, 0.0002761300000000, -0.0001779100000000 ] - [ -0.0011854900000000, 0.0002761300000000, 0.0001779100000000 ] - [ 0.0005804800000000, -0.0001054300000000, 0.0000000000000000 ] - [ -0.0001000200000000, -0.0000551500000000, 0.0000848800000000 ] - [ -0.0001000200000000, -0.0000551500000000, -0.0000848800000000 ] - [ 0.0013120900000000, -0.0003179200000000, 0.0000000000000000 ] - [ 0.0004706200000000, -0.0002726600000000, 0.0001653700000000 ] - [ 0.0004706200000000, -0.0002726600000000, -0.0001653700000000 ] - [ 0.0040886200000000, 0.0003860200000000, -0.0021432900000000 ] - [ 0.0040886200000000, 0.0003860200000000, 0.0021432900000000 ] - [ 0.0003061800000000, 0.0000044400000000, 0.0000000000000000 ] - [ 0.0005414400000000, -0.0027326400000000, 0.0019986800000000 ] - [ 0.0005414400000000, -0.0027326400000000, -0.0019986800000000 ] - [ -0.0001166600000000, -0.0003488200000000, 0.0000000000000000 ] - [ 0.0003931700000000, 0.0027122600000000, 0.0021510100000000 ] - [ 0.0003931700000000, 0.0027122600000000, -0.0021510100000000 ] - [ -0.0001632100000000, 0.0002416600000000, 0.0000000000000000 ] - [ -0.0052627500000000, -0.0045505900000000, -0.0018423100000000 ] - [ -0.0052627500000000, -0.0045505900000000, 0.0018423100000000 ] - [ -0.0004715200000000, -0.0002644900000000, 0.0000000000000000 ] - [ -0.0013619500000000, 0.0071701000000000, -0.0005226500000000 ] - [ -0.0013619500000000, 0.0071701000000000, 0.0005226500000000 ] - [ -0.0001214300000000, 0.0004809000000000, 0.0000000000000000 ] - [ 0.0150484500000000, -0.0004391800000000, 0.0000000000000000 ] - [ 0.0017408500000000, 0.0001794000000000, -0.0003858500000000 ] - [ 0.0017408500000000, 0.0001794000000000, 0.0003858500000000 ] - [ 0.0046830900000000, -0.0001486600000000, -0.0033865500000000 ] - [ 0.0046830900000000, -0.0001486600000000, 0.0033865500000000 ] - [ -0.0000457900000000, -0.0005955800000000, 0.0000000000000000 ] - [ -0.0006116000000000, -0.0022523100000000, -0.0000760400000000 ] - [ -0.0006116000000000, -0.0022523100000000, 0.0000760400000000 ] - [ 0.0003454500000000, -0.0000613900000000, 0.0000000000000000 ] - [ 0.0023687800000000, -0.0009897400000000, -0.0006670800000000 ] - [ 0.0023687800000000, -0.0009897400000000, 0.0006670800000000 ] - [ -0.0001155000000000, 0.0002251900000000, 0.0000000000000000 ] - [ 0.0002849000000000, 0.0019905200000000, -0.0002987800000000 ] - [ 0.0002849000000000, 0.0019905200000000, 0.0002987800000000 ] - [ -0.0005107500000000, 0.0007931100000000, 0.0000000000000000 ] - [ 0.0012364500000000, 0.0024806300000000, 0.0022282300000000 ] - [ 0.0012364500000000, 0.0024806300000000, -0.0022282300000000 ] - [ -0.0000153300000000, -0.0005923300000000, 0.0000000000000000 ] - [ 0.0043109100000000, -0.0042244500000000, 0.0000000000000000 ] - [ -0.0004238500000000, -0.0004040200000000, 0.0010361300000000 ] - [ -0.0004238500000000, -0.0004040200000000, -0.0010361300000000 ] - [ -0.0052315200000000, -0.0018195800000000, 0.0000000000000000 ] - [ -0.0007517000000000, -0.0002573200000000, 0.0005932200000000 ] - [ -0.0007517000000000, -0.0002573200000000, -0.0005932200000000 ] - [ -0.0081521900000000, 0.0017501400000000, 0.0000000000000000 ] - [ -0.0011161200000000, 0.0004977600000000, -0.0001244500000000 ] - [ -0.0011161200000000, 0.0004977600000000, 0.0001244500000000 ] - [ 0.0043379000000000, 0.0003745900000000, 0.0002270600000000 ] - [ 0.0043379000000000, 0.0003745900000000, -0.0002270600000000 ] - [ 0.0010073900000000, 0.0001748600000000, 0.0000000000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000120628, 0.0000000000000000 ] forces: - [ 0.0277106000000000, 0.0037609500000000, 0.0000000000000000 ] - [ 0.0017640900000000, 0.0004195100000000, 0.0001587100000000 ] - [ 0.0017640900000000, 0.0004195100000000, -0.0001587100000000 ] - [ -0.0014680300000000, 0.0002646100000000, 0.0000000000000000 ] - [ -0.0007910200000000, 0.0002039700000000, -0.0000852100000000 ] - [ -0.0007910200000000, 0.0002039700000000, 0.0000852100000000 ] - [ -0.0009982500000000, -0.0005341600000000, 0.0000000000000000 ] - [ -0.0001545000000000, -0.0005675600000000, -0.0001640300000000 ] - [ -0.0001545000000000, -0.0005675600000000, 0.0001640300000000 ] - [ -0.0042978700000000, -0.0004105000000000, 0.0020987700000000 ] - [ -0.0042978700000000, -0.0004105000000000, -0.0020987700000000 ] - [ -0.0005453400000000, -0.0000341500000000, 0.0000000000000000 ] - [ -0.0003564100000000, 0.0029097800000000, -0.0020071800000000 ] - [ -0.0003564100000000, 0.0029097800000000, 0.0020071800000000 ] - [ 0.0002976800000000, 0.0005067900000000, 0.0000000000000000 ] - [ -0.0002990500000000, -0.0029816300000000, -0.0021688500000000 ] - [ -0.0002990500000000, -0.0029816300000000, 0.0021688500000000 ] - [ 0.0002529400000000, -0.0004923700000000, 0.0000000000000000 ] - [ 0.0051538100000000, 0.0045730500000000, 0.0018459000000000 ] - [ 0.0051538100000000, 0.0045730500000000, -0.0018459000000000 ] - [ 0.0004447300000000, 0.0002777000000000, 0.0000000000000000 ] - [ 0.0013407700000000, -0.0072057700000000, 0.0005144500000000 ] - [ 0.0013407700000000, -0.0072057700000000, -0.0005144500000000 ] - [ 0.0001051000000000, -0.0004842700000000, 0.0000000000000000 ] - [ -0.0151492900000000, 0.0005301500000000, 0.0000000000000000 ] - [ -0.0017627400000000, -0.0001721900000000, 0.0003891700000000 ] - [ -0.0017627400000000, -0.0001721900000000, -0.0003891700000000 ] - [ -0.0048222700000000, -0.0004665600000000, 0.0032452200000000 ] - [ -0.0048222700000000, -0.0004665600000000, -0.0032452200000000 ] - [ -0.0001464700000000, -0.0001510400000000, 0.0000000000000000 ] - [ 0.0013642500000000, 0.0025223200000000, 0.0000830700000000 ] - [ 0.0013642500000000, 0.0025223200000000, -0.0000830700000000 ] - [ 0.0003990700000000, 0.0003167200000000, 0.0000000000000000 ] - [ -0.0029472900000000, 0.0015356000000000, 0.0006613400000000 ] - [ -0.0029472900000000, 0.0015356000000000, -0.0006613400000000 ] - [ -0.0004596800000000, 0.0003128500000000, 0.0000000000000000 ] - [ -0.0013608000000000, -0.0009043900000000, 0.0002982500000000 ] - [ -0.0013608000000000, -0.0009043900000000, -0.0002982500000000 ] - [ -0.0005799200000000, 0.0003003400000000, 0.0000000000000000 ] - [ -0.0015818800000000, -0.0038880600000000, -0.0022103100000000 ] - [ -0.0015818800000000, -0.0038880600000000, 0.0022103100000000 ] - [ -0.0003560200000000, -0.0008442600000000, 0.0000000000000000 ] - [ -0.0042707000000000, 0.0039433600000000, 0.0000000000000000 ] - [ 0.0010293000000000, -0.0001076200000000, -0.0010400900000000 ] - [ 0.0010293000000000, -0.0001076200000000, 0.0010400900000000 ] - [ 0.0045103900000000, 0.0015531300000000, 0.0000000000000000 ] - [ 0.0000038300000000, -0.0000157300000000, -0.0005969400000000 ] - [ 0.0000038300000000, -0.0000157300000000, 0.0005969400000000 ] - [ 0.0082692900000000, -0.0009921100000000, 0.0000000000000000 ] - [ 0.0012696600000000, 0.0002797800000000, 0.0001216700000000 ] - [ 0.0012696600000000, 0.0002797800000000, -0.0001216700000000 ] - [ -0.0028094700000000, 0.0000470900000000, -0.0002030100000000 ] - [ -0.0028094700000000, 0.0000470900000000, 0.0002030100000000 ] - [ 0.0004991000000000, 0.0002236000000000, 0.0000000000000000 ]- atom: 1 displacement: [ -0.0049999999900890, 0.0086602540435665, 0.0000000000000000 ] forces: - [ 0.0109144500000000, -0.0291508000000000, 0.0000000000000000 ] - [ 0.0009547200000000, -0.0012924700000000, 0.0001368500000000 ] - [ 0.0009547200000000, -0.0012924700000000, -0.0001368500000000 ] - [ 0.0001424600000000, 0.0017329800000000, 0.0000000000000000 ] - [ 0.0000448700000000, 0.0007082500000000, -0.0001048700000000 ] - [ 0.0000448700000000, 0.0007082500000000, 0.0001048700000000 ] - [ -0.0015713500000000, 0.0010038400000000, 0.0000000000000000 ] - [ -0.0006332900000000, 0.0001228900000000, -0.0000855100000000 ] - [ -0.0006332900000000, 0.0001228900000000, 0.0000855100000000 ] - [ -0.0018921900000000, -0.0020172200000000, 0.0009467200000000 ] - [ -0.0018921900000000, -0.0020172200000000, -0.0009467200000000 ] - [ -0.0002660900000000, -0.0003989500000000, 0.0000000000000000 ] - [ -0.0028441300000000, 0.0031102300000000, -0.0025244300000000 ] - [ -0.0028441300000000, 0.0031102300000000, 0.0025244300000000 ] - [ -0.0001265600000000, 0.0004521600000000, 0.0000000000000000 ] - [ 0.0022191900000000, 0.0000140800000000, 0.0002029200000000 ] - [ 0.0022191900000000, 0.0000140800000000, -0.0002029200000000 ] - [ 0.0004690600000000, -0.0001121300000000, 0.0000000000000000 ] - [ -0.0028968500000000, 0.0097012200000000, 0.0033652600000000 ] - [ -0.0028968500000000, 0.0097012200000000, -0.0033652600000000 ] - [ -0.0000953800000000, 0.0004802600000000, 0.0000000000000000 ] - [ 0.0050037100000000, 0.0027951300000000, -0.0020286300000000 ] - [ 0.0050037100000000, 0.0027951300000000, 0.0020286300000000 ] - [ 0.0003607600000000, 0.0000562300000000, 0.0000000000000000 ] - [ -0.0091785300000000, -0.0063908300000000, 0.0000000000000000 ] - [ -0.0010798800000000, -0.0010453200000000, 0.0001199100000000 ] - [ -0.0010798800000000, -0.0010453200000000, -0.0001199100000000 ] - [ -0.0006455000000000, 0.0019020900000000, -0.0009780400000000 ] - [ -0.0006455000000000, 0.0019020900000000, 0.0009780400000000 ] - [ -0.0001417300000000, -0.0002371400000000, 0.0000000000000000 ] - [ -0.0017681500000000, -0.0010941600000000, -0.0000333000000000 ] - [ -0.0017681500000000, -0.0010941600000000, 0.0000333000000000 ] - [ 0.0001023000000000, -0.0000106800000000, 0.0000000000000000 ] - [ -0.0019742100000000, -0.0015390000000000, 0.0018562500000000 ] - [ -0.0019742100000000, -0.0015390000000000, -0.0018562500000000 ] - [ -0.0004097000000000, 0.0001839900000000, 0.0000000000000000 ] - [ 0.0000445200000000, -0.0037085400000000, 0.0001366800000000 ] - [ 0.0000445200000000, -0.0037085400000000, -0.0001366800000000 ] - [ -0.0004562400000000, 0.0001779400000000, 0.0000000000000000 ] - [ 0.0018255900000000, -0.0026402900000000, -0.0021621100000000 ] - [ 0.0018255900000000, -0.0026402900000000, 0.0021621100000000 ] - [ -0.0001617700000000, -0.0007632600000000, 0.0000000000000000 ] - [ -0.0027526600000000, 0.0065791400000000, 0.0000000000000000 ] - [ 0.0011758100000000, 0.0002254900000000, -0.0008740100000000 ] - [ 0.0011758100000000, 0.0002254900000000, 0.0008740100000000 ] - [ -0.0002857000000000, 0.0037463400000000, 0.0000000000000000 ] - [ -0.0005078500000000, 0.0003422500000000, -0.0000493400000000 ] - [ -0.0005078500000000, 0.0003422500000000, 0.0000493400000000 ] - [ 0.0050325000000000, 0.0012158700000000, 0.0000000000000000 ] - [ 0.0006175000000000, 0.0006790800000000, 0.0000310300000000 ] - [ 0.0006175000000000, 0.0006790800000000, -0.0000310300000000 ] - [ 0.0012031800000000, 0.0043738500000000, 0.0035677500000000 ] - [ 0.0012031800000000, 0.0043738500000000, -0.0035677500000000 ] - [ 0.0007300400000000, 0.0001599300000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0049999999900890, -0.0086602540435665, 0.0000000000000000 ] forces: - [ -0.0097822600000000, 0.0301933600000000, 0.0000000000000000 ] - [ -0.0003940600000000, 0.0020060100000000, -0.0001588400000000 ] - [ -0.0003940600000000, 0.0020060100000000, 0.0001588400000000 ] - [ -0.0010404200000000, -0.0016161700000000, 0.0000000000000000 ] - [ -0.0009390600000000, -0.0005807100000000, 0.0001039500000000 ] - [ -0.0009390600000000, -0.0005807100000000, -0.0001039500000000 ] - [ 0.0019214900000000, -0.0018280900000000, 0.0000000000000000 ] - [ 0.0009760900000000, -0.0009482800000000, 0.0000883000000000 ] - [ 0.0009760900000000, -0.0009482800000000, -0.0000883000000000 ] - [ 0.0016766600000000, 0.0020133700000000, -0.0009437900000000 ] - [ 0.0016766600000000, 0.0020133700000000, 0.0009437900000000 ] - [ 0.0000505000000000, 0.0003774700000000, 0.0000000000000000 ] - [ 0.0029975700000000, -0.0029531600000000, 0.0024977000000000 ] - [ 0.0029975700000000, -0.0029531600000000, -0.0024977000000000 ] - [ 0.0003051200000000, -0.0003183700000000, 0.0000000000000000 ] - [ -0.0021445800000000, -0.0002393200000000, -0.0001980700000000 ] - [ -0.0021445800000000, -0.0002393200000000, 0.0001980700000000 ] - [ -0.0003898500000000, -0.0001324300000000, 0.0000000000000000 ] - [ 0.0028418600000000, -0.0097389500000000, -0.0034380400000000 ] - [ 0.0028418600000000, -0.0097389500000000, 0.0034380400000000 ] - [ 0.0001212000000000, -0.0004841300000000, 0.0000000000000000 ] - [ -0.0049220200000000, -0.0028430300000000, 0.0020149100000000 ] - [ -0.0049220200000000, -0.0028430300000000, -0.0020149100000000 ] - [ -0.0003317300000000, -0.0000435000000000, 0.0000000000000000 ] - [ 0.0091520200000000, 0.0064158800000000, 0.0000000000000000 ] - [ 0.0010746700000000, 0.0010421500000000, -0.0001211600000000 ] - [ 0.0010746700000000, 0.0010421500000000, 0.0001211600000000 ] - [ 0.0004658900000000, -0.0026682000000000, 0.0009726000000000 ] - [ 0.0004658900000000, -0.0026682000000000, -0.0009726000000000 ] - [ -0.0000356200000000, -0.0005314800000000, 0.0000000000000000 ] - [ 0.0024630000000000, 0.0013403400000000, 0.0000345100000000 ] - [ 0.0024630000000000, 0.0013403400000000, -0.0000345100000000 ] - [ 0.0006067500000000, 0.0002416800000000, 0.0000000000000000 ] - [ 0.0013378400000000, 0.0020908400000000, -0.0018332500000000 ] - [ 0.0013378400000000, 0.0020908400000000, 0.0018332500000000 ] - [ -0.0002107200000000, 0.0003781200000000, 0.0000000000000000 ] - [ -0.0011043700000000, 0.0048132700000000, -0.0001257900000000 ] - [ -0.0011043700000000, 0.0048132700000000, 0.0001257900000000 ] - [ -0.0006131500000000, 0.0009764500000000, 0.0000000000000000 ] - [ -0.0022276100000000, 0.0012076700000000, 0.0021842800000000 ] - [ -0.0022276100000000, 0.0012076700000000, -0.0021842800000000 ] - [ -0.0002768700000000, -0.0007067900000000, 0.0000000000000000 ] - [ 0.0029379400000000, -0.0069171100000000, 0.0000000000000000 ] - [ -0.0005610900000000, -0.0007243000000000, 0.0008723600000000 ] - [ -0.0005610900000000, -0.0007243000000000, -0.0008723600000000 ] - [ -0.0004522800000000, -0.0040831400000000, 0.0000000000000000 ] - [ -0.0002309200000000, -0.0006094900000000, 0.0000521200000000 ] - [ -0.0002309200000000, -0.0006094900000000, -0.0000521200000000 ] - [ -0.0049071800000000, -0.0004385500000000, 0.0000000000000000 ] - [ -0.0005086500000000, 0.0001100100000000, -0.0000282900000000 ] - [ -0.0005086500000000, 0.0001100100000000, 0.0000282900000000 ] - [ 0.0002972400000000, -0.0041850000000000, -0.0037934700000000 ] - [ 0.0002972400000000, -0.0041850000000000, 0.0037934700000000 ] - [ 0.0007481500000000, 0.0002503700000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000241400000000, 0.0004565500000000, -0.0443497600000000 ] - [ 0.0004466900000000, 0.0002820400000000, 0.0064611300000000 ] - [ 0.0001123100000000, 0.0004318900000000, 0.0063853900000000 ] - [ -0.0004450100000000, 0.0000567400000000, -0.0023471500000000 ] - [ -0.0003675700000000, -0.0000874800000000, 0.0011586600000000 ] - [ -0.0005255200000000, 0.0002047500000000, 0.0011637600000000 ] - [ 0.0001739500000000, -0.0004123400000000, -0.0023471800000000 ] - [ 0.0002784300000000, -0.0003735800000000, 0.0011590000000000 ] - [ 0.0000703600000000, -0.0004515700000000, 0.0011634700000000 ] - [ -0.0030550200000000, -0.0002448400000000, -0.0001140700000000 ] - [ 0.0028599900000000, 0.0002284700000000, -0.0001323700000000 ] - [ -0.0001146300000000, -0.0000148100000000, 0.0014532200000000 ] - [ 0.0020534800000000, -0.0010482500000000, -0.0002478700000000 ] - [ -0.0018825500000000, 0.0011951300000000, -0.0002646800000000 ] - [ 0.0000893400000000, 0.0000822700000000, 0.0014983800000000 ] - [ 0.0021004200000000, 0.0009919300000000, -0.0002444600000000 ] - [ -0.0020367500000000, -0.0012356600000000, -0.0002599700000000 ] - [ 0.0000374400000000, -0.0001236600000000, 0.0014499800000000 ] - [ -0.0053044400000000, 0.0073087000000000, 0.0009093500000000 ] - [ 0.0052686100000000, -0.0073242800000000, 0.0009213600000000 ] - [ 0.0000166800000000, -0.0000101300000000, 0.0004551300000000 ] - [ -0.0011794800000000, -0.0082866800000000, 0.0005319500000000 ] - [ 0.0012046400000000, 0.0082912500000000, 0.0005455600000000 ] - [ 0.0000043400000000, 0.0000105700000000, 0.0004986100000000 ] - [ 0.0000086200000000, 0.0000095600000000, -0.0001555200000000 ] - [ -0.0013602000000000, -0.0006465000000000, -0.0000027700000000 ] - [ 0.0013537900000000, 0.0006392800000000, -0.0000002600000000 ] - [ -0.0034870300000000, -0.0018023000000000, 0.0070281200000000 ] - [ 0.0035191700000000, 0.0012863200000000, 0.0073053200000000 ] - [ -0.0000879800000000, -0.0004029700000000, -0.0015906600000000 ] - [ 0.0023512900000000, 0.0031191200000000, 0.0004725500000000 ] - [ -0.0016269100000000, -0.0028636800000000, 0.0004645400000000 ] - [ 0.0003679100000000, 0.0001286500000000, -0.0008988500000000 ] - [ -0.0016387100000000, 0.0032328500000000, 0.0002255600000000 ] - [ 0.0010592300000000, -0.0027047700000000, 0.0002360600000000 ] - [ -0.0003143400000000, 0.0002781500000000, -0.0010532800000000 ] - [ 0.0004833800000000, -0.0034579500000000, 0.0004824000000000 ] - [ -0.0015537400000000, 0.0045655400000000, 0.0004751800000000 ] - [ -0.0005344500000000, 0.0005817400000000, -0.0008987600000000 ] - [ 0.0029081200000000, -0.0019922800000000, -0.0000454800000000 ] - [ -0.0033222200000000, 0.0005634500000000, -0.0000324400000000 ] - [ -0.0002170000000000, -0.0007320500000000, -0.0011342300000000 ] - [ 0.0003384500000000, -0.0002361400000000, 0.0039703400000000 ] - [ 0.0014700200000000, -0.0000842100000000, -0.0015137200000000 ] - [ -0.0008467000000000, -0.0004279500000000, -0.0015085900000000 ] - [ -0.0003698100000000, -0.0001791800000000, 0.0025400500000000 ] - [ 0.0000624400000000, 0.0001716200000000, -0.0009126500000000 ] - [ -0.0007901100000000, -0.0004429200000000, -0.0009152500000000 ] - [ 0.0000487000000000, 0.0003922900000000, 0.0007910200000000 ] - [ 0.0005956600000000, 0.0003673400000000, -0.0005217800000000 ] - [ -0.0005019200000000, 0.0004295400000000, -0.0005277600000000 ] - [ 0.0029054200000000, 0.0034901800000000, 0.0067897300000000 ] - [ -0.0013727600000000, -0.0034243700000000, 0.0070617200000000 ] - [ 0.0007218200000000, 0.0002145900000000, -0.0015780400000000 ]- atom: 10 displacement: [ 0.0100000000000000, -0.0000000000120628, 0.0000000000000000 ] forces: - [ 0.0044538600000000, 0.0007171000000000, -0.0029419900000000 ] - [ 0.0007033600000000, 0.0004230100000000, 0.0000000000000000 ] - [ 0.0044538600000000, 0.0007171000000000, 0.0029419900000000 ] - [ -0.0015081400000000, 0.0020173300000000, -0.0000141400000000 ] - [ -0.0006979500000000, 0.0004673700000000, 0.0000000000000000 ] - [ -0.0015081400000000, 0.0020173300000000, 0.0000141400000000 ] - [ -0.0008226200000000, -0.0024864500000000, -0.0000768800000000 ] - [ -0.0000384800000000, -0.0007793000000000, 0.0000000000000000 ] - [ -0.0008226200000000, -0.0024864500000000, 0.0000768800000000 ] - [ -0.0522033600000000, 0.0023299500000000, 0.0000000000000000 ] - [ -0.0021288100000000, -0.0001729600000000, 0.0002113800000000 ] - [ -0.0021288100000000, -0.0001729600000000, -0.0002113800000000 ] - [ 0.0020174500000000, 0.0020437700000000, 0.0000000000000000 ] - [ 0.0006533700000000, 0.0008938300000000, 0.0002833200000000 ] - [ 0.0006533700000000, 0.0008938300000000, -0.0002833200000000 ] - [ 0.0019137000000000, -0.0021235600000000, 0.0000000000000000 ] - [ 0.0006721900000000, -0.0008945500000000, 0.0003699500000000 ] - [ 0.0006721900000000, -0.0008945500000000, -0.0003699500000000 ] - [ 0.0052316700000000, 0.0081990800000000, 0.0000000000000000 ] - [ 0.0001024900000000, 0.0007757100000000, -0.0003645400000000 ] - [ 0.0001024900000000, 0.0007757100000000, 0.0003645400000000 ] - [ 0.0028721900000000, -0.0149422400000000, 0.0000000000000000 ] - [ -0.0000457800000000, -0.0014413300000000, -0.0002679700000000 ] - [ -0.0000457800000000, -0.0014413300000000, 0.0002679700000000 ] - [ 0.0135406600000000, -0.0008004400000000, 0.0030943000000000 ] - [ 0.0006530500000000, -0.0000636400000000, 0.0000000000000000 ] - [ 0.0135406600000000, -0.0008004400000000, -0.0030943000000000 ] - [ 0.0188765200000000, -0.0067100100000000, 0.0000000000000000 ] - [ 0.0000357100000000, 0.0004945400000000, 0.0010352500000000 ] - [ 0.0000357100000000, 0.0004945400000000, -0.0010352500000000 ] - [ 0.0040757300000000, 0.0058137800000000, 0.0000000000000000 ] - [ 0.0006881200000000, 0.0006258100000000, 0.0001573100000000 ] - [ 0.0006881200000000, 0.0006258100000000, -0.0001573100000000 ] - [ -0.0050348600000000, 0.0048147900000000, 0.0000000000000000 ] - [ -0.0005848100000000, 0.0005428300000000, 0.0002046200000000 ] - [ -0.0005848100000000, 0.0005428300000000, -0.0002046200000000 ] - [ -0.0013715000000000, -0.0040753900000000, 0.0000000000000000 ] - [ -0.0005519300000000, -0.0000885100000000, 0.0000503300000000 ] - [ -0.0005519300000000, -0.0000885100000000, -0.0000503300000000 ] - [ 0.0048802900000000, 0.0041818500000000, 0.0000000000000000 ] - [ 0.0000477300000000, -0.0008676400000000, 0.0005346300000000 ] - [ 0.0000477300000000, -0.0008676400000000, -0.0005346300000000 ] - [ -0.0039524700000000, -0.0026555500000000, 0.0001434600000000 ] - [ 0.0000101400000000, -0.0004256700000000, 0.0000000000000000 ] - [ -0.0039524700000000, -0.0026555500000000, -0.0001434600000000 ] - [ -0.0032821500000000, 0.0028354000000000, -0.0006151200000000 ] - [ -0.0005633100000000, 0.0000947200000000, 0.0000000000000000 ] - [ -0.0032821500000000, 0.0028354000000000, 0.0006151200000000 ] - [ 0.0022320900000000, 0.0012253300000000, 0.0010966500000000 ] - [ -0.0000289800000000, 0.0004692600000000, 0.0000000000000000 ] - [ 0.0022320900000000, 0.0012253300000000, -0.0010966500000000 ] - [ -0.0015497700000000, -0.0010932200000000, 0.0000000000000000 ] - [ 0.0005775300000000, -0.0000327200000000, 0.0003573400000000 ] - [ 0.0005775300000000, -0.0000327200000000, -0.0003573400000000 ]- atom: 10 displacement: [ -0.0100000000000000, 0.0000000000120628, 0.0000000000000000 ] forces: - [ -0.0039219000000000, -0.0000111400000000, 0.0029750600000000 ] - [ -0.0001372500000000, 0.0002826300000000, 0.0000000000000000 ] - [ -0.0039219000000000, -0.0000111400000000, -0.0029750600000000 ] - [ 0.0006131900000000, -0.0018950000000000, 0.0000103700000000 ] - [ -0.0001890500000000, -0.0003391300000000, 0.0000000000000000 ] - [ 0.0006131900000000, -0.0018950000000000, -0.0000103700000000 ] - [ 0.0011471000000000, 0.0016667100000000, 0.0000719400000000 ] - [ 0.0003765600000000, -0.0000484300000000, 0.0000000000000000 ] - [ 0.0011471000000000, 0.0016667100000000, -0.0000719400000000 ] - [ 0.0525386900000000, -0.0031190700000000, 0.0000000000000000 ] - [ 0.0019203700000000, 0.0001510300000000, -0.0002234200000000 ] - [ 0.0019203700000000, 0.0001510300000000, 0.0002234200000000 ] - [ -0.0018337000000000, -0.0019046900000000, 0.0000000000000000 ] - [ -0.0004727100000000, -0.0007597500000000, -0.0002832900000000 ] - [ -0.0004727100000000, -0.0007597500000000, 0.0002832900000000 ] - [ -0.0018302700000000, 0.0018775000000000, 0.0000000000000000 ] - [ -0.0006021400000000, 0.0006593400000000, -0.0003674400000000 ] - [ -0.0006021400000000, 0.0006593400000000, 0.0003674400000000 ] - [ -0.0050959200000000, -0.0082407600000000, 0.0000000000000000 ] - [ -0.0001039200000000, -0.0007748300000000, 0.0003642100000000 ] - [ -0.0001039200000000, -0.0007748300000000, -0.0003642100000000 ] - [ -0.0029232400000000, 0.0149695000000000, 0.0000000000000000 ] - [ 0.0000502800000000, 0.0014673000000000, 0.0002677100000000 ] - [ 0.0000502800000000, 0.0014673000000000, -0.0002677100000000 ] - [ -0.0135413800000000, 0.0008580200000000, -0.0030074900000000 ] - [ -0.0006624500000000, 0.0000574000000000, 0.0000000000000000 ] - [ -0.0135413800000000, 0.0008580200000000, 0.0030074900000000 ] - [ -0.0199511900000000, 0.0068016300000000, 0.0000000000000000 ] - [ -0.0002176100000000, -0.0012769200000000, -0.0010364800000000 ] - [ -0.0002176100000000, -0.0012769200000000, 0.0010364800000000 ] - [ -0.0033952000000000, -0.0056145400000000, 0.0000000000000000 ] - [ 0.0000230800000000, -0.0003893600000000, -0.0001551800000000 ] - [ 0.0000230800000000, -0.0003893600000000, 0.0001551800000000 ] - [ 0.0044390900000000, -0.0042452900000000, 0.0000000000000000 ] - [ 0.0000059900000000, 0.0000012700000000, -0.0002047500000000 ] - [ 0.0000059900000000, 0.0000012700000000, 0.0002047500000000 ] - [ 0.0002774000000000, 0.0051810000000000, 0.0000000000000000 ] - [ -0.0005264800000000, 0.0012192600000000, -0.0000478600000000 ] - [ -0.0005264800000000, 0.0012192600000000, 0.0000478600000000 ] - [ -0.0053696100000000, -0.0057741200000000, 0.0000000000000000 ] - [ -0.0004421900000000, -0.0005689400000000, -0.0005291100000000 ] - [ -0.0004421900000000, -0.0005689400000000, 0.0005291100000000 ] - [ 0.0045766600000000, 0.0021431700000000, -0.0001609400000000 ] - [ 0.0006348700000000, -0.0000551800000000, 0.0000000000000000 ] - [ 0.0045766600000000, 0.0021431700000000, 0.0001609400000000 ] - [ 0.0025651900000000, -0.0031759700000000, 0.0005991100000000 ] - [ -0.0001765200000000, -0.0003525200000000, 0.0000000000000000 ] - [ 0.0025651900000000, -0.0031759700000000, -0.0005991100000000 ] - [ -0.0019192200000000, -0.0003977700000000, -0.0008243600000000 ] - [ 0.0001320000000000, 0.0003193900000000, 0.0000000000000000 ] - [ -0.0019192200000000, -0.0003977700000000, 0.0008243600000000 ] - [ 0.0029971700000000, 0.0015360100000000, 0.0000000000000000 ] - [ 0.0009299900000000, 0.0004179300000000, -0.0003591600000000 ] - [ 0.0009299900000000, 0.0004179300000000, 0.0003591600000000 ]- atom: 10 displacement: [ -0.0049999999900890, 0.0086602540435665, 0.0000000000000000 ] forces: - [ -0.0014608500000000, -0.0016493500000000, 0.0012734200000000 ] - [ 0.0000913500000000, -0.0000609400000000, 0.0000000000000000 ] - [ -0.0014608500000000, -0.0016493500000000, -0.0012734200000000 ] - [ 0.0020444700000000, 0.0020069500000000, 0.0019779200000000 ] - [ -0.0000134800000000, 0.0000628800000000, 0.0000000000000000 ] - [ 0.0020444700000000, 0.0020069500000000, -0.0019779200000000 ] - [ -0.0010235700000000, 0.0033084000000000, -0.0019806400000000 ] - [ -0.0000455800000000, -0.0000415600000000, 0.0000000000000000 ] - [ -0.0010235700000000, 0.0033084000000000, 0.0019806400000000 ] - [ 0.0293275800000000, -0.0489840300000000, 0.0000000000000000 ] - [ 0.0007670000000000, -0.0008850200000000, -0.0000548800000000 ] - [ 0.0007670000000000, -0.0008850200000000, 0.0000548800000000 ] - [ -0.0016697200000000, 0.0001575400000000, 0.0000000000000000 ] - [ -0.0003826300000000, -0.0000700200000000, -0.0000780500000000 ] - [ -0.0003826300000000, -0.0000700200000000, 0.0000780500000000 ] - [ -0.0001169100000000, 0.0020162300000000, 0.0000000000000000 ] - [ -0.0000390000000000, 0.0004809400000000, -0.0001964300000000 ] - [ -0.0000390000000000, 0.0004809400000000, 0.0001964300000000 ] - [ 0.0093108300000000, 0.0066407100000000, 0.0000000000000000 ] - [ 0.0010138400000000, 0.0004526100000000, -0.0001073800000000 ] - [ 0.0010138400000000, 0.0004526100000000, 0.0001073800000000 ] - [ -0.0103608100000000, 0.0162851200000000, 0.0000000000000000 ] - [ -0.0007178400000000, 0.0013194300000000, 0.0004469300000000 ] - [ -0.0007178400000000, 0.0013194300000000, -0.0004469300000000 ] - [ -0.0046151600000000, -0.0019996200000000, -0.0024708500000000 ] - [ -0.0001847300000000, -0.0001628200000000, 0.0000000000000000 ] - [ -0.0046151600000000, -0.0019996200000000, 0.0024708500000000 ] - [ -0.0180351600000000, 0.0118604600000000, 0.0000000000000000 ] - [ 0.0001595300000000, -0.0009598000000000, -0.0011256200000000 ] - [ 0.0001595300000000, -0.0009598000000000, 0.0011256200000000 ] - [ -0.0004828200000000, -0.0068174800000000, 0.0000000000000000 ] - [ 0.0003644000000000, -0.0003234000000000, -0.0004537200000000 ] - [ 0.0003644000000000, -0.0003234000000000, 0.0004537200000000 ] - [ 0.0067915500000000, -0.0050692300000000, 0.0000000000000000 ] - [ 0.0003532700000000, -0.0002402700000000, -0.0000969500000000 ] - [ 0.0003532700000000, -0.0002402700000000, 0.0000969500000000 ] - [ -0.0025031000000000, -0.0045952000000000, 0.0000000000000000 ] - [ -0.0007385000000000, 0.0002810600000000, 0.0000717300000000 ] - [ -0.0007385000000000, 0.0002810600000000, -0.0000717300000000 ] - [ 0.0008873400000000, 0.0146075400000000, 0.0000000000000000 ] - [ -0.0008492900000000, -0.0009623700000000, 0.0006797600000000 ] - [ -0.0008492900000000, -0.0009623700000000, -0.0006797600000000 ] - [ 0.0021465900000000, 0.0009398400000000, -0.0004102000000000 ] - [ 0.0005163900000000, -0.0001430000000000, 0.0000000000000000 ] - [ 0.0021465900000000, 0.0009398400000000, 0.0004102000000000 ] - [ 0.0003937300000000, 0.0003906500000000, 0.0014400800000000 ] - [ -0.0003379800000000, -0.0001627900000000, 0.0000000000000000 ] - [ 0.0003937300000000, 0.0003906500000000, -0.0014400800000000 ] - [ -0.0018605300000000, 0.0038883800000000, 0.0001488900000000 ] - [ 0.0000273000000000, 0.0004965100000000, 0.0000000000000000 ] - [ -0.0018605300000000, 0.0038883800000000, -0.0001488900000000 ] - [ -0.0051165600000000, 0.0013148100000000, 0.0000000000000000 ] - [ 0.0004018000000000, 0.0003192200000000, 0.0000359300000000 ] - [ 0.0004018000000000, 0.0003192200000000, -0.0000359300000000 ]- atom: 10 displacement: [ 0.0049999999900890, -0.0086602540435665, 0.0000000000000000 ] forces: - [ 0.0020306800000000, 0.0023519600000000, -0.0012748100000000 ] - [ 0.0004721700000000, 0.0007696500000000, 0.0000000000000000 ] - [ 0.0020306800000000, 0.0023519600000000, 0.0012748100000000 ] - [ -0.0029103800000000, -0.0018752900000000, -0.0019604600000000 ] - [ -0.0008718100000000, 0.0000610200000000, 0.0000000000000000 ] - [ -0.0029103800000000, -0.0018752900000000, 0.0019604600000000 ] - [ 0.0013636500000000, -0.0041620700000000, 0.0020166200000000 ] - [ 0.0003878500000000, -0.0007835000000000, 0.0000000000000000 ] - [ 0.0013636500000000, -0.0041620700000000, -0.0020166200000000 ] - [ -0.0277567300000000, 0.0487130800000000, 0.0000000000000000 ] - [ -0.0009759400000000, 0.0008612200000000, 0.0000407900000000 ] - [ -0.0009759400000000, 0.0008612200000000, -0.0000407900000000 ] - [ 0.0018428700000000, -0.0000386100000000, 0.0000000000000000 ] - [ 0.0005633100000000, 0.0001959600000000, 0.0000758300000000 ] - [ 0.0005633100000000, 0.0001959600000000, -0.0000758300000000 ] - [ 0.0001932500000000, -0.0022311200000000, 0.0000000000000000 ] - [ 0.0001196800000000, -0.0007159300000000, 0.0001980400000000 ] - [ 0.0001196800000000, -0.0007159300000000, -0.0001980400000000 ] - [ -0.0092375100000000, -0.0066737900000000, 0.0000000000000000 ] - [ -0.0010238500000000, -0.0004507600000000, 0.0001077500000000 ] - [ -0.0010238500000000, -0.0004507600000000, -0.0001077500000000 ] - [ 0.0101614600000000, -0.0162672700000000, 0.0000000000000000 ] - [ 0.0007166100000000, -0.0013045900000000, -0.0004438300000000 ] - [ 0.0007166100000000, -0.0013045900000000, 0.0004438300000000 ] - [ 0.0045380800000000, 0.0021110100000000, 0.0024890700000000 ] - [ 0.0001807000000000, 0.0001613000000000, 0.0000000000000000 ] - [ 0.0045380800000000, 0.0021110100000000, -0.0024890700000000 ] - [ 0.0165701300000000, -0.0117447800000000, 0.0000000000000000 ] - [ -0.0003354400000000, 0.0001619600000000, 0.0011241200000000 ] - [ -0.0003354400000000, 0.0001619600000000, -0.0011241200000000 ] - [ 0.0012349400000000, 0.0070134300000000, 0.0000000000000000 ] - [ 0.0003643400000000, 0.0005719600000000, 0.0004501400000000 ] - [ 0.0003643400000000, 0.0005719600000000, -0.0004501400000000 ] - [ -0.0073961800000000, 0.0056761700000000, 0.0000000000000000 ] - [ -0.0009553200000000, 0.0007931800000000, 0.0000954700000000 ] - [ -0.0009553200000000, 0.0007931800000000, -0.0000954700000000 ] - [ 0.0014089800000000, 0.0056944700000000, 0.0000000000000000 ] - [ -0.0003387900000000, 0.0008503900000000, -0.0000718500000000 ] - [ -0.0003387900000000, 0.0008503900000000, 0.0000718500000000 ] - [ -0.0017527200000000, -0.0166315200000000, 0.0000000000000000 ] - [ 0.0004877800000000, -0.0004595700000000, -0.0006769400000000 ] - [ 0.0004877800000000, -0.0004595700000000, 0.0006769400000000 ] - [ -0.0015203600000000, -0.0014593000000000, 0.0004065000000000 ] - [ 0.0001259900000000, -0.0003404900000000, 0.0000000000000000 ] - [ -0.0015203600000000, -0.0014593000000000, -0.0004065000000000 ] - [ -0.0011060200000000, -0.0007749900000000, -0.0014610400000000 ] - [ -0.0003991300000000, -0.0001028400000000, 0.0000000000000000 ] - [ -0.0011060200000000, -0.0007749900000000, 0.0014610400000000 ] - [ 0.0019812300000000, -0.0031110100000000, -0.0001373700000000 ] - [ 0.0000592300000000, 0.0002996600000000, 0.0000000000000000 ] - [ 0.0019812300000000, -0.0031110100000000, 0.0001373700000000 ] - [ 0.0065765200000000, -0.0008864900000000, 0.0000000000000000 ] - [ 0.0011007400000000, 0.0000716800000000, -0.0000355000000000 ] - [ 0.0011007400000000, 0.0000716800000000, 0.0000355000000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0018496400000000, 0.0002201600000000, -0.0001334500000000 ] - [ 0.0002812200000000, 0.0003517900000000, 0.0014609700000000 ] - [ 0.0023929200000000, 0.0004870400000000, -0.0001135100000000 ] - [ 0.0000641600000000, 0.0026745100000000, -0.0002657100000000 ] - [ -0.0004457200000000, 0.0000661000000000, 0.0015020200000000 ] - [ -0.0009540400000000, -0.0025377000000000, -0.0002451100000000 ] - [ 0.0003685900000000, -0.0030305800000000, -0.0002622500000000 ] - [ 0.0001665600000000, -0.0004159800000000, 0.0014563400000000 ] - [ -0.0000305400000000, 0.0021871900000000, -0.0002423800000000 ] - [ -0.0006480900000000, -0.0001432300000000, -0.0324548300000000 ] - [ -0.0003288600000000, -0.0000824000000000, 0.0048228700000000 ] - [ 0.0001014800000000, 0.0000559700000000, 0.0047755000000000 ] - [ 0.0000916700000000, 0.0000784300000000, -0.0022300000000000 ] - [ 0.0002868500000000, 0.0003845500000000, 0.0011083300000000 ] - [ -0.0001081100000000, -0.0002439800000000, 0.0011131500000000 ] - [ 0.0000443500000000, -0.0001253800000000, -0.0022324400000000 ] - [ 0.0002452100000000, -0.0003301100000000, 0.0011102700000000 ] - [ -0.0001617600000000, 0.0000847000000000, 0.0011154200000000 ] - [ 0.0000186600000000, 0.0000207400000000, 0.0011926800000000 ] - [ -0.0017976200000000, -0.0011107800000000, -0.0001559600000000 ] - [ 0.0017585300000000, 0.0011023500000000, -0.0001516400000000 ] - [ -0.0000000200000000, -0.0000250800000000, 0.0006994100000000 ] - [ -0.0005775200000000, 0.0020849600000000, 0.0000253400000000 ] - [ 0.0005603800000000, -0.0020536700000000, 0.0000297700000000 ] - [ 0.0142716200000000, -0.0034488200000000, -0.0000643600000000 ] - [ -0.0000031200000000, 0.0000005700000000, 0.0006507000000000 ] - [ -0.0142843800000000, 0.0034706400000000, -0.0001072500000000 ] - [ -0.0000354100000000, -0.0004094400000000, 0.0055479000000000 ] - [ 0.0007992500000000, -0.0018756500000000, -0.0016302100000000 ] - [ -0.0009792800000000, 0.0011020200000000, -0.0016217800000000 ] - [ 0.0003760900000000, 0.0001420800000000, 0.0014336900000000 ] - [ 0.0002179200000000, -0.0005234200000000, -0.0005911100000000 ] - [ 0.0005225200000000, 0.0007679700000000, -0.0005958800000000 ] - [ -0.0003032000000000, 0.0002842500000000, -0.0001211400000000 ] - [ 0.0003830100000000, -0.0003305500000000, -0.0002876100000000 ] - [ -0.0009547100000000, 0.0008635100000000, -0.0002953100000000 ] - [ -0.0005549400000000, 0.0005278900000000, -0.0000067900000000 ] - [ -0.0002933800000000, 0.0011610600000000, -0.0003320500000000 ] - [ -0.0007956100000000, -0.0000555800000000, -0.0003392400000000 ] - [ -0.0001552900000000, -0.0006533800000000, 0.0053692600000000 ] - [ 0.0010030500000000, 0.0006165300000000, -0.0015794500000000 ] - [ -0.0013590200000000, -0.0020314500000000, -0.0015715500000000 ] - [ -0.0058972000000000, -0.0029609700000000, 0.0009732800000000 ] - [ 0.0003013900000000, -0.0002564200000000, -0.0011541100000000 ] - [ 0.0064951800000000, 0.0024504400000000, 0.0009815900000000 ] - [ -0.0042312500000000, 0.0045722000000000, 0.0006164600000000 ] - [ -0.0003763500000000, -0.0001346200000000, -0.0011943500000000 ] - [ 0.0034683700000000, -0.0048370800000000, 0.0006098100000000 ] - [ -0.0010220600000000, 0.0028854900000000, 0.0079787800000000 ] - [ 0.0000702400000000, 0.0003911800000000, -0.0021070800000000 ] - [ 0.0016261600000000, -0.0020299700000000, 0.0074331400000000 ] - [ 0.0007283000000000, 0.0002046000000000, 0.0010721700000000 ] - [ 0.0014138100000000, 0.0002097100000000, -0.0004936900000000 ] - [ 0.0000896300000000, 0.0001976500000000, -0.0004985900000000 ]- atom: 19 displacement: [ 0.0100000000000000, -0.0000000000120628, 0.0000000000000000 ] forces: - [ -0.0049265800000000, -0.0059417700000000, -0.0052579900000000 ] - [ -0.0001789700000000, -0.0000450600000000, 0.0000000000000000 ] - [ -0.0049265800000000, -0.0059417700000000, 0.0052579900000000 ] - [ 0.0000175100000000, 0.0078665500000000, -0.0036751900000000 ] - [ -0.0005468600000000, 0.0005407600000000, 0.0000000000000000 ] - [ 0.0000175100000000, 0.0078665500000000, 0.0036751900000000 ] - [ 0.0100485900000000, -0.0045599200000000, 0.0090485800000000 ] - [ 0.0006308100000000, -0.0006802000000000, 0.0000000000000000 ] - [ 0.0100485900000000, -0.0045599200000000, -0.0090485800000000 ] - [ 0.0051045900000000, 0.0137053600000000, 0.0000000000000000 ] - [ -0.0000067700000000, 0.0012176800000000, 0.0017770100000000 ] - [ -0.0000067700000000, 0.0012176800000000, -0.0017770100000000 ] - [ 0.0012059400000000, -0.0058293400000000, 0.0000000000000000 ] - [ -0.0000229200000000, -0.0005596700000000, 0.0000666200000000 ] - [ -0.0000229200000000, -0.0005596700000000, -0.0000666200000000 ] - [ 0.0200120100000000, 0.0003214100000000, 0.0000000000000000 ] - [ 0.0016707800000000, -0.0000164500000000, -0.0018440300000000 ] - [ 0.0016707800000000, -0.0000164500000000, 0.0018440300000000 ] - [ -0.6932016500000000, -0.0136775400000000, 0.0000000000000000 ] - [ -0.0152445500000000, -0.0000344900000000, -0.0000130900000000 ] - [ -0.0152445500000000, -0.0000344900000000, 0.0000130900000000 ] - [ 0.0139824400000000, 0.0024395300000000, 0.0000000000000000 ] - [ 0.0029554300000000, 0.0001964100000000, 0.0000019300000000 ] - [ 0.0029554300000000, 0.0001964100000000, -0.0000019300000000 ] - [ 0.0103190900000000, -0.0039278200000000, -0.0000027900000000 ] - [ 0.0014017300000000, -0.0004700700000000, 0.0000000000000000 ] - [ 0.0103190900000000, -0.0039278200000000, 0.0000027900000000 ] - [ 0.0011104700000000, -0.0022450900000000, 0.0000000000000000 ] - [ 0.0000554900000000, -0.0003970200000000, 0.0001200200000000 ] - [ 0.0000554900000000, -0.0003970200000000, -0.0001200200000000 ] - [ -0.0086052300000000, -0.0068909900000000, 0.0000000000000000 ] - [ -0.0011875300000000, -0.0008931900000000, 0.0005755800000000 ] - [ -0.0011875300000000, -0.0008931900000000, -0.0005755800000000 ] - [ -0.0086761300000000, 0.0046616900000000, 0.0000000000000000 ] - [ -0.0018555800000000, 0.0012241500000000, -0.0007033400000000 ] - [ -0.0018555800000000, 0.0012241500000000, 0.0007033400000000 ] - [ 0.0927871000000000, -0.0014958100000000, 0.0000000000000000 ] - [ 0.0019823400000000, 0.0005388800000000, 0.0000092300000000 ] - [ 0.0019823400000000, 0.0005388800000000, -0.0000092300000000 ] - [ 0.2976283000000000, 0.1214667600000000, 0.0000000000000000 ] - [ 0.0061723800000000, 0.0015502700000000, -0.0055453000000000 ] - [ 0.0061723800000000, 0.0015502700000000, 0.0055453000000000 ] - [ -0.0041098300000000, -0.0001949500000000, 0.0013961900000000 ] - [ -0.0001781100000000, -0.0002496900000000, 0.0000000000000000 ] - [ -0.0041098300000000, -0.0001949500000000, -0.0013961900000000 ] - [ -0.0072760300000000, 0.0029908200000000, 0.0017366300000000 ] - [ -0.0010686300000000, 0.0002603400000000, 0.0000000000000000 ] - [ -0.0072760300000000, 0.0029908200000000, -0.0017366300000000 ] - [ -0.0082648300000000, -0.0001512600000000, -0.0031320300000000 ] - [ -0.0008568700000000, 0.0004120700000000, 0.0000000000000000 ] - [ -0.0082648300000000, -0.0001512600000000, 0.0031320300000000 ] - [ 0.2844463900000000, -0.1060337200000000, 0.0000000000000000 ] - [ 0.0071743400000000, -0.0020034600000000, 0.0055451000000000 ] - [ 0.0071743400000000, -0.0020034600000000, -0.0055451000000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000120628, 0.0000000000000000 ] forces: - [ 0.0054918600000000, 0.0066844400000000, 0.0053303600000000 ] - [ 0.0007440800000000, 0.0007419800000000, 0.0000000000000000 ] - [ 0.0054918600000000, 0.0066844400000000, -0.0053303600000000 ] - [ -0.0008427400000000, -0.0077651700000000, 0.0037026900000000 ] - [ -0.0003326800000000, -0.0004050300000000, 0.0000000000000000 ] - [ -0.0008427400000000, -0.0077651700000000, -0.0037026900000000 ] - [ -0.0096541800000000, 0.0037009100000000, -0.0089181300000000 ] - [ -0.0003098300000000, -0.0001502500000000, 0.0000000000000000 ] - [ -0.0096541800000000, 0.0037009100000000, 0.0089181300000000 ] - [ -0.0052250200000000, -0.0136066000000000, 0.0000000000000000 ] - [ -0.0002278600000000, -0.0012486600000000, -0.0017780100000000 ] - [ -0.0002278600000000, -0.0012486600000000, 0.0017780100000000 ] - [ -0.0010884500000000, 0.0059537200000000, 0.0000000000000000 ] - [ 0.0001924000000000, 0.0007256700000000, -0.0000737500000000 ] - [ 0.0001924000000000, 0.0007256700000000, 0.0000737500000000 ] - [ -0.0201626300000000, -0.0004848000000000, 0.0000000000000000 ] - [ -0.0015799600000000, -0.0002298000000000, 0.0018513400000000 ] - [ -0.0015799600000000, -0.0002298000000000, -0.0018513400000000 ] - [ 0.6940132900000000, -0.0136793400000000, 0.0000000000000000 ] - [ 0.0152311500000000, -0.0000308500000000, -0.0000133200000000 ] - [ 0.0152311500000000, -0.0000308500000000, 0.0000133200000000 ] - [ -0.0139840900000000, -0.0024456600000000, 0.0000000000000000 ] - [ -0.0029616800000000, -0.0001917400000000, 0.0000019400000000 ] - [ -0.0029616800000000, -0.0001917400000000, -0.0000019400000000 ] - [ -0.0103029500000000, 0.0040171100000000, -0.0000026800000000 ] - [ -0.0014116300000000, 0.0004741800000000, 0.0000000000000000 ] - [ -0.0103029500000000, 0.0040171100000000, 0.0000026800000000 ] - [ -0.0013006700000000, 0.0014999700000000, 0.0000000000000000 ] - [ -0.0002435000000000, -0.0003595400000000, -0.0001218900000000 ] - [ -0.0002435000000000, -0.0003595400000000, 0.0001218900000000 ] - [ 0.0093845300000000, 0.0072073800000000, 0.0000000000000000 ] - [ 0.0019227700000000, 0.0011480900000000, -0.0005812100000000 ] - [ 0.0019227700000000, 0.0011480900000000, 0.0005812100000000 ] - [ 0.0080713400000000, -0.0040808000000000, 0.0000000000000000 ] - [ 0.0012745000000000, -0.0006834700000000, 0.0006952600000000 ] - [ 0.0012745000000000, -0.0006834700000000, -0.0006952600000000 ] - [ -0.0939431300000000, 0.0045136500000000, 0.0000000000000000 ] - [ -0.0030671400000000, 0.0005994100000000, 0.0000282400000000 ] - [ -0.0030671400000000, 0.0005994100000000, -0.0000282400000000 ] - [ -0.2789263200000000, -0.1101323200000000, 0.0000000000000000 ] - [ -0.0065334900000000, -0.0029693800000000, 0.0055357200000000 ] - [ -0.0065334900000000, -0.0029693800000000, -0.0055357200000000 ] - [ 0.0047097300000000, -0.0003696700000000, -0.0013776500000000 ] - [ 0.0007902800000000, -0.0002622900000000, 0.0000000000000000 ] - [ 0.0047097300000000, -0.0003696700000000, 0.0013776500000000 ] - [ 0.0065323900000000, -0.0033434000000000, -0.0017545400000000 ] - [ 0.0003166900000000, -0.0005299900000000, 0.0000000000000000 ] - [ 0.0065323900000000, -0.0033434000000000, 0.0017545400000000 ] - [ 0.0083879600000000, 0.0009167700000000, 0.0031332700000000 ] - [ 0.0009950600000000, 0.0003726600000000, 0.0000000000000000 ] - [ 0.0083879600000000, 0.0009167700000000, -0.0031332700000000 ] - [ -0.3029043000000000, 0.1189824300000000, 0.0000000000000000 ] - [ -0.0056925200000000, 0.0024148400000000, -0.0055561100000000 ] - [ -0.0056925200000000, 0.0024148400000000, 0.0055561100000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015648000000000, 0.0032333500000000, 0.0009071000000000 ] - [ 0.0002840000000000, 0.0003531300000000, 0.0004572100000000 ] - [ 0.0021234800000000, -0.0024906100000000, 0.0009249700000000 ] - [ -0.0020177600000000, -0.0029718300000000, 0.0009071000000000 ] - [ -0.0004478200000000, 0.0000693900000000, 0.0004572100000000 ] - [ 0.0010951900000000, 0.0030843000000000, 0.0009249700000000 ] - [ 0.0035825600000000, -0.0002615200000000, 0.0009071000000000 ] - [ 0.0001638200000000, -0.0004225200000000, 0.0004572100000000 ] - [ -0.0032186700000000, -0.0005936800000000, 0.0009249700000000 ] - [ -0.0001124100000000, 0.0000279800000000, 0.0011925300000000 ] - [ 0.0002479000000000, 0.0003566900000000, -0.0001606600000000 ] - [ -0.0004873800000000, -0.0003174400000000, -0.0001511400000000 ] - [ 0.0000804400000000, 0.0000833600000000, 0.0011925300000000 ] - [ 0.0001849500000000, -0.0003930300000000, -0.0001606600000000 ] - [ -0.0000312200000000, 0.0005808000000000, -0.0001511400000000 ] - [ 0.0000319700000000, -0.0001113400000000, 0.0011925300000000 ] - [ -0.0004328500000000, 0.0000363400000000, -0.0001606600000000 ] - [ 0.0005186000000000, -0.0002633600000000, -0.0001511400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2465662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034091800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033709100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000407300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000212100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000186500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001637900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001131700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001670700000000 ] - [ -0.0000862400000000, -0.0003779300000000, 0.0000050700000000 ] - [ -0.0001135500000000, -0.0004754600000000, -0.0000167900000000 ] - [ -0.0000611100000000, -0.0002927200000000, -0.0000214400000000 ] - [ 0.0003704100000000, 0.0001142800000000, 0.0000050700000000 ] - [ 0.0004685300000000, 0.0001393900000000, -0.0000167900000000 ] - [ 0.0002840500000000, 0.0000934400000000, -0.0000214400000000 ] - [ -0.0002841700000000, 0.0002636500000000, 0.0000050700000000 ] - [ -0.0003549800000000, 0.0003360700000000, -0.0000167900000000 ] - [ -0.0002229500000000, 0.0001992800000000, -0.0000214400000000 ] - [ -0.0005353100000000, 0.0012993600000000, 0.0774112500000000 ] - [ -0.0005921800000000, 0.0011491800000000, -0.0007694300000000 ] - [ -0.0004890900000000, -0.0000681900000000, -0.0007635100000000 ] - [ -0.0008576300000000, -0.0011132700000000, 0.0774112500000000 ] - [ -0.0006991300000000, -0.0010874300000000, -0.0007694300000000 ] - [ 0.0003036000000000, -0.0003894700000000, -0.0007635100000000 ] - [ 0.0007196100000000, -0.0006673300000000, 0.0004580200000000 ] - [ 0.0003023800000000, -0.0002553800000000, -0.0000572200000000 ] - [ -0.0001132700000000, 0.0001558800000000, 0.0004398800000000 ] - [ -0.0009377300000000, -0.0002895300000000, 0.0004580200000000 ] - [ -0.0003723600000000, -0.0001341800000000, -0.0000572200000000 ] - [ 0.0001916300000000, 0.0000201500000000, 0.0004398800000000 ] - [ 0.0002181200000000, 0.0009568700000000, 0.0004580200000000 ] - [ 0.0000699800000000, 0.0003895600000000, -0.0000572200000000 ] - [ -0.0000783700000000, -0.0001760300000000, 0.0004398800000000 ] - [ 0.0013929300000000, -0.0001860900000000, 0.0774112500000000 ] - [ 0.0012913100000000, -0.0000617500000000, -0.0007694300000000 ] - [ 0.0001854900000000, 0.0004576600000000, -0.0007635100000000 ]- atom: 22 displacement: [ 0.0100000000000000, -0.0000000000120628, 0.0000000000000000 ] forces: - [ -0.0010391800000000, 0.0053119600000000, -0.0012026900000000 ] - [ 0.0001760300000000, 0.0006903700000000, 0.0000000000000000 ] - [ -0.0010391800000000, 0.0053119600000000, 0.0012026900000000 ] - [ 0.0100669300000000, -0.0002811300000000, 0.0078231800000000 ] - [ 0.0001448600000000, -0.0000055300000000, 0.0000000000000000 ] - [ 0.0100669300000000, -0.0002811300000000, -0.0078231800000000 ] - [ 0.0001108600000000, -0.0083252700000000, -0.0065231900000000 ] - [ 0.0000424100000000, -0.0008984300000000, 0.0000000000000000 ] - [ 0.0001108600000000, -0.0083252700000000, 0.0065231900000000 ] - [ 0.0027586200000000, -0.0102184800000000, 0.0000000000000000 ] - [ -0.0001731700000000, -0.0008726500000000, 0.0005673900000000 ] - [ -0.0001731700000000, -0.0008726500000000, -0.0005673900000000 ] - [ 0.0191782000000000, 0.0055917000000000, 0.0000000000000000 ] - [ 0.0015973800000000, 0.0006479800000000, -0.0020710300000000 ] - [ 0.0015973800000000, 0.0006479800000000, 0.0020710300000000 ] - [ -0.0024613400000000, 0.0117365800000000, 0.0000000000000000 ] - [ -0.0004579600000000, 0.0010661000000000, 0.0015068700000000 ] - [ -0.0004579600000000, 0.0010661000000000, -0.0015068700000000 ] - [ 0.0139718400000000, -0.0023828100000000, 0.0000000000000000 ] - [ 0.0029490700000000, -0.0001756400000000, -0.0000003000000000 ] - [ 0.0029490700000000, -0.0001756400000000, 0.0000003000000000 ] - [ -0.7011366800000000, -0.0128802000000000, 0.0000000000000000 ] - [ -0.0152943000000000, -0.0000343200000000, -0.0000127600000000 ] - [ -0.0152943000000000, -0.0000343200000000, 0.0000127600000000 ] - [ 0.0076004300000000, 0.0050903200000000, -0.0000030100000000 ] - [ 0.0010532200000000, 0.0006989200000000, 0.0000000000000000 ] - [ 0.0076004300000000, 0.0050903200000000, 0.0000030100000000 ] - [ 0.1011801700000000, -0.0327789900000000, 0.0000000000000000 ] - [ 0.0025755800000000, -0.0009846400000000, -0.0007253300000000 ] - [ 0.0025755800000000, -0.0009846400000000, 0.0007253300000000 ] - [ 0.2718087900000000, 0.1344145600000000, 0.0000000000000000 ] - [ 0.0063261800000000, 0.0026315300000000, -0.0051852600000000 ] - [ 0.0063261800000000, 0.0026315300000000, 0.0051852600000000 ] - [ 0.3098418300000000, -0.0875664800000000, 0.0000000000000000 ] - [ 0.0067128900000000, -0.0016234000000000, 0.0059166700000000 ] - [ 0.0067128900000000, -0.0016234000000000, -0.0059166700000000 ] - [ -0.0098948300000000, 0.0022134400000000, 0.0000000000000000 ] - [ -0.0021629600000000, 0.0006460400000000, 0.0000127700000000 ] - [ -0.0021629600000000, 0.0006460400000000, -0.0000127700000000 ] - [ -0.0092231100000000, 0.0010441600000000, 0.0000000000000000 ] - [ -0.0018811000000000, -0.0006365500000000, 0.0007861100000000 ] - [ -0.0018811000000000, -0.0006365500000000, -0.0007861100000000 ] - [ -0.0059207500000000, -0.0061167200000000, 0.0021589000000000 ] - [ -0.0003638200000000, -0.0008882000000000, 0.0000000000000000 ] - [ -0.0059207500000000, -0.0061167200000000, -0.0021589000000000 ] - [ 0.0004928300000000, -0.0037424800000000, -0.0009990800000000 ] - [ -0.0002860000000000, -0.0005167100000000, 0.0000000000000000 ] - [ 0.0004928300000000, -0.0037424800000000, 0.0009990800000000 ] - [ -0.0045679000000000, 0.0018023800000000, -0.0011763800000000 ] - [ -0.0004281500000000, 0.0005351700000000, 0.0000000000000000 ] - [ -0.0045679000000000, 0.0018023800000000, 0.0011763800000000 ] - [ -0.0083685500000000, 0.0016746400000000, 0.0000000000000000 ] - [ -0.0009316000000000, 0.0003646500000000, -0.0008007800000000 ] - [ -0.0009316000000000, 0.0003646500000000, 0.0008007800000000 ]- atom: 22 displacement: [ -0.0100000000000000, 0.0000000000120628, 0.0000000000000000 ] forces: - [ 0.0016624000000000, -0.0046069700000000, 0.0012044200000000 ] - [ 0.0004019100000000, 0.0000129500000000, 0.0000000000000000 ] - [ 0.0016624000000000, -0.0046069700000000, -0.0012044200000000 ] - [ -0.0108884400000000, 0.0004362600000000, -0.0077128100000000 ] - [ -0.0010406900000000, 0.0001468900000000, 0.0000000000000000 ] - [ -0.0108884400000000, 0.0004362600000000, 0.0077128100000000 ] - [ 0.0001929100000000, 0.0075606500000000, 0.0066055800000000 ] - [ 0.0002797200000000, 0.0000609100000000, 0.0000000000000000 ] - [ 0.0001929100000000, 0.0075606500000000, -0.0066055800000000 ] - [ -0.0030428200000000, 0.0101213000000000, 0.0000000000000000 ] - [ -0.0000826500000000, 0.0008457700000000, -0.0005706300000000 ] - [ -0.0000826500000000, 0.0008457700000000, 0.0005706300000000 ] - [ -0.0192559800000000, -0.0054570500000000, 0.0000000000000000 ] - [ -0.0014113100000000, -0.0004822400000000, 0.0020815600000000 ] - [ -0.0014113100000000, -0.0004822400000000, -0.0020815600000000 ] - [ 0.0026038600000000, -0.0118780800000000, 0.0000000000000000 ] - [ 0.0005498400000000, -0.0013243100000000, -0.0015074200000000 ] - [ 0.0005498400000000, -0.0013243100000000, 0.0015074200000000 ] - [ -0.0140009500000000, 0.0025106300000000, 0.0000000000000000 ] - [ -0.0029655000000000, 0.0002055100000000, -0.0000001700000000 ] - [ -0.0029655000000000, 0.0002055100000000, 0.0000001700000000 ] - [ 0.7110915500000000, -0.0128853300000000, 0.0000000000000000 ] - [ 0.0153068400000000, -0.0000347800000000, -0.0000126300000000 ] - [ 0.0153068400000000, -0.0000347800000000, 0.0000126300000000 ] - [ -0.0076333400000000, -0.0051163100000000, -0.0000028500000000 ] - [ -0.0010725500000000, -0.0006957500000000, 0.0000000000000000 ] - [ -0.0076333400000000, -0.0051163100000000, 0.0000028500000000 ] - [ -0.1019217000000000, 0.0333664700000000, 0.0000000000000000 ] - [ -0.0027702100000000, 0.0002664100000000, 0.0007623400000000 ] - [ -0.0027702100000000, 0.0002664100000000, -0.0007623400000000 ] - [ -0.2562988000000000, -0.1212192900000000, 0.0000000000000000 ] - [ -0.0055719700000000, -0.0023660700000000, 0.0051802200000000 ] - [ -0.0055719700000000, -0.0023660700000000, -0.0051802200000000 ] - [ -0.3345888600000000, 0.0994371000000000, 0.0000000000000000 ] - [ -0.0073212600000000, 0.0021781000000000, -0.0059350700000000 ] - [ -0.0073212600000000, 0.0021781000000000, 0.0059350700000000 ] - [ 0.0087900800000000, -0.0012183800000000, 0.0000000000000000 ] - [ 0.0010714500000000, 0.0004280500000000, -0.0000201200000000 ] - [ 0.0010714500000000, 0.0004280500000000, 0.0000201200000000 ] - [ 0.0088602000000000, -0.0025485000000000, 0.0000000000000000 ] - [ 0.0015124700000000, -0.0008060900000000, -0.0007845700000000 ] - [ 0.0015124700000000, -0.0008060900000000, 0.0007845700000000 ] - [ 0.0065558100000000, 0.0056475400000000, -0.0021833600000000 ] - [ 0.0009685400000000, 0.0003771900000000, 0.0000000000000000 ] - [ 0.0065558100000000, 0.0056475400000000, 0.0021833600000000 ] - [ -0.0012425500000000, 0.0034894300000000, 0.0010017700000000 ] - [ -0.0004626000000000, 0.0002474500000000, 0.0000000000000000 ] - [ -0.0012425500000000, 0.0034894300000000, -0.0010017700000000 ] - [ 0.0047258400000000, -0.0010070100000000, 0.0011665900000000 ] - [ 0.0005814200000000, 0.0002445000000000, 0.0000000000000000 ] - [ 0.0047258400000000, -0.0010070100000000, -0.0011665900000000 ] - [ 0.0098758200000000, -0.0013167000000000, 0.0000000000000000 ] - [ 0.0024256000000000, 0.0000329000000000, 0.0008042600000000 ] - [ 0.0024256000000000, 0.0000329000000000, -0.0008042600000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002440800000000, -0.0023053900000000, 0.0005294300000000 ] - [ 0.0002827000000000, 0.0003421600000000, 0.0005022000000000 ] - [ 0.0007924200000000, 0.0029639200000000, 0.0005477200000000 ] - [ 0.0021185600000000, 0.0009413100000000, 0.0005294300000000 ] - [ -0.0004376700000000, 0.0000737400000000, 0.0005022000000000 ] - [ -0.0029630400000000, -0.0007957000000000, 0.0005477200000000 ] - [ -0.0018744800000000, 0.0013640700000000, 0.0005294300000000 ] - [ 0.0001549700000000, -0.0004159000000000, 0.0005022000000000 ] - [ 0.0021706200000000, -0.0021682200000000, 0.0005477200000000 ] - [ -0.0001151400000000, 0.0000100100000000, 0.0006989400000000 ] - [ 0.0001540500000000, -0.0003477900000000, 0.0000210200000000 ] - [ -0.0003866500000000, 0.0003692000000000, 0.0000302100000000 ] - [ 0.0000662400000000, 0.0000947100000000, 0.0006989400000000 ] - [ -0.0003782200000000, 0.0000404900000000, 0.0000210200000000 ] - [ 0.0005130600000000, 0.0001502500000000, 0.0000302100000000 ] - [ 0.0000489000000000, -0.0001047200000000, 0.0006989400000000 ] - [ 0.0002241700000000, 0.0003073000000000, 0.0000210200000000 ] - [ -0.0001264100000000, -0.0005194500000000, 0.0000302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000405400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000212800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000184700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2464262700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036870200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036446400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000670500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000753200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000642600000000 ] - [ -0.0001744800000000, 0.0004195000000000, 0.0796608800000000 ] - [ -0.0002098600000000, 0.0002370600000000, -0.0008257600000000 ] - [ 0.0000366900000000, -0.0009978800000000, -0.0008192800000000 ] - [ -0.0002760600000000, -0.0003608500000000, 0.0796608800000000 ] - [ -0.0001003700000000, -0.0003002700000000, -0.0008257600000000 ] - [ 0.0008458500000000, 0.0005307100000000, -0.0008192800000000 ] - [ 0.0004505400000000, -0.0000586500000000, 0.0796608800000000 ] - [ 0.0003102300000000, 0.0000632100000000, -0.0008257600000000 ] - [ -0.0008825300000000, 0.0004671700000000, -0.0008192800000000 ] - [ -0.0005442700000000, 0.0005357800000000, -0.0007573700000000 ] - [ -0.0005324400000000, 0.0005269800000000, 0.0000547100000000 ] - [ -0.0005471600000000, 0.0005496200000000, 0.0000484300000000 ] - [ -0.0001918600000000, -0.0007392400000000, -0.0007573700000000 ] - [ -0.0001901600000000, -0.0007245900000000, 0.0000547100000000 ] - [ -0.0002024000000000, -0.0007486700000000, 0.0000484300000000 ] - [ 0.0003567200000000, -0.0002873700000000, 0.0000996500000000 ] - [ 0.0003038900000000, -0.0002558000000000, -0.0001983800000000 ] - [ 0.0002488900000000, -0.0002239700000000, 0.0000868700000000 ] - [ -0.0004272300000000, -0.0001652400000000, 0.0000996500000000 ] - [ -0.0003734800000000, -0.0001352800000000, -0.0001983800000000 ] - [ -0.0003184100000000, -0.0001035600000000, 0.0000868700000000 ] - [ 0.0000705100000000, 0.0004526200000000, 0.0000996500000000 ] - [ 0.0000695800000000, 0.0003910800000000, -0.0001983800000000 ] - [ 0.0000695200000000, 0.0003275300000000, 0.0000868700000000 ] - [ 0.0007361300000000, 0.0002034700000000, -0.0007573700000000 ] - [ 0.0007226000000000, 0.0001976100000000, 0.0000547100000000 ] - [ 0.0007495600000000, 0.0001990500000000, 0.0000484300000000 ]- atom: 25 displacement: [ 0.0100000000000000, -0.0000000000120628, 0.0000000000000000 ] forces: - [ 0.0154537800000000, -0.0015288900000000, 0.0000000000000000 ] - [ 0.0020351400000000, 0.0001155000000000, 0.0013530900000000 ] - [ 0.0020351400000000, 0.0001155000000000, -0.0013530900000000 ] - [ -0.0034634100000000, -0.0098311700000000, 0.0000000000000000 ] - [ -0.0008630600000000, -0.0013570500000000, -0.0012260700000000 ] - [ -0.0008630600000000, -0.0013570500000000, 0.0012260700000000 ] - [ -0.0007857800000000, 0.0092992200000000, 0.0000000000000000 ] - [ -0.0001996700000000, 0.0006312600000000, -0.0001202200000000 ] - [ -0.0001996700000000, 0.0006312600000000, 0.0001202200000000 ] - [ 0.0133593400000000, 0.0025225700000000, 0.0141882100000000 ] - [ 0.0133593400000000, 0.0025225700000000, -0.0141882100000000 ] - [ 0.0005483200000000, 0.0001538400000000, 0.0000000000000000 ] - [ 0.0006051000000000, 0.0084544700000000, -0.0101599700000000 ] - [ 0.0006051000000000, 0.0084544700000000, 0.0101599700000000 ] - [ 0.0000439600000000, 0.0005539400000000, 0.0000000000000000 ] - [ 0.0019984600000000, -0.0059636300000000, -0.0041346000000000 ] - [ 0.0019984600000000, -0.0059636300000000, 0.0041346000000000 ] - [ 0.0000842900000000, -0.0004167100000000, 0.0000000000000000 ] - [ 0.0102904400000000, 0.0039622700000000, 0.0000038100000000 ] - [ 0.0102904400000000, 0.0039622700000000, -0.0000038100000000 ] - [ 0.0013940800000000, 0.0004728300000000, 0.0000000000000000 ] - [ 0.0076097800000000, -0.0050649300000000, 0.0000002400000000 ] - [ 0.0076097800000000, -0.0050649300000000, -0.0000002400000000 ] - [ 0.0010563400000000, -0.0006914500000000, 0.0000000000000000 ] - [ -0.6645257000000000, -0.0097641600000000, 0.0000000000000000 ] - [ -0.0151618600000000, -0.0000254300000000, -0.0000154800000000 ] - [ -0.0151618600000000, -0.0000254300000000, 0.0000154800000000 ] - [ -0.0065791700000000, 0.0030832900000000, -0.0012743400000000 ] - [ -0.0065791700000000, 0.0030832900000000, 0.0012743400000000 ] - [ -0.0007360100000000, 0.0000638100000000, 0.0000000000000000 ] - [ -0.0035629900000000, 0.0026674300000000, -0.0009003400000000 ] - [ -0.0035629900000000, 0.0026674300000000, 0.0009003400000000 ] - [ -0.0000494100000000, 0.0003398000000000, 0.0000000000000000 ] - [ -0.0063014700000000, 0.0010740100000000, 0.0021733300000000 ] - [ -0.0063014700000000, 0.0010740100000000, -0.0021733300000000 ] - [ -0.0010218200000000, 0.0004097300000000, 0.0000000000000000 ] - [ -0.0006115100000000, -0.0034552400000000, 0.0014820700000000 ] - [ -0.0006115100000000, -0.0034552400000000, -0.0014820700000000 ] - [ -0.0005807100000000, 0.0001959700000000, 0.0000000000000000 ] - [ -0.0080221100000000, -0.0066717100000000, -0.0023689000000000 ] - [ -0.0080221100000000, -0.0066717100000000, 0.0023689000000000 ] - [ -0.0009927700000000, -0.0013156400000000, 0.0000000000000000 ] - [ 0.2267589100000000, 0.1294053900000000, 0.0000000000000000 ] - [ 0.0054290600000000, 0.0022823900000000, -0.0047994200000000 ] - [ 0.0054290600000000, 0.0022823900000000, 0.0047994200000000 ] - [ 0.1070407000000000, -0.0596136700000000, 0.0000000000000000 ] - [ 0.0024144600000000, -0.0013729500000000, -0.0017483900000000 ] - [ 0.0024144600000000, -0.0013729500000000, 0.0017483900000000 ] - [ 0.3100537000000000, -0.0618684300000000, 0.0000000000000000 ] - [ 0.0072887200000000, -0.0009826900000000, 0.0065535100000000 ] - [ 0.0072887200000000, -0.0009826900000000, -0.0065535100000000 ] - [ -0.0049227700000000, 0.0019684000000000, 0.0009034200000000 ] - [ -0.0049227700000000, 0.0019684000000000, -0.0009034200000000 ] - [ 0.0001097800000000, 0.0003996400000000, 0.0000000000000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000120628, 0.0000000000000000 ] forces: - [ -0.0147452700000000, 0.0022129800000000, 0.0000000000000000 ] - [ -0.0014688400000000, 0.0005839400000000, -0.0013418800000000 ] - [ -0.0014688400000000, 0.0005839400000000, 0.0013418800000000 ] - [ 0.0025440800000000, 0.0100991000000000, 0.0000000000000000 ] - [ -0.0000270700000000, 0.0014987500000000, 0.0012299600000000 ] - [ -0.0000270700000000, 0.0014987500000000, -0.0012299600000000 ] - [ 0.0011388100000000, -0.0102182800000000, 0.0000000000000000 ] - [ 0.0005332100000000, -0.0014650900000000, 0.0001189900000000 ] - [ 0.0005332100000000, -0.0014650900000000, -0.0001189900000000 ] - [ -0.0137349200000000, -0.0025438500000000, -0.0143705900000000 ] - [ -0.0137349200000000, -0.0025438500000000, 0.0143705900000000 ] - [ -0.0007827500000000, -0.0001833400000000, 0.0000000000000000 ] - [ -0.0004229500000000, -0.0082517400000000, 0.0101103500000000 ] - [ -0.0004229500000000, -0.0082517400000000, -0.0101103500000000 ] - [ 0.0001368400000000, -0.0003959300000000, 0.0000000000000000 ] - [ -0.0019846300000000, 0.0057265300000000, 0.0041521200000000 ] - [ -0.0019846300000000, 0.0057265300000000, -0.0041521200000000 ] - [ -0.0000047500000000, 0.0001749100000000, 0.0000000000000000 ] - [ -0.0103395700000000, -0.0039851600000000, 0.0000038400000000 ] - [ -0.0103395700000000, -0.0039851600000000, -0.0000038400000000 ] - [ -0.0014135200000000, -0.0004662500000000, 0.0000000000000000 ] - [ -0.0076242300000000, 0.0051405600000000, 0.0000002000000000 ] - [ -0.0076242300000000, 0.0051405600000000, -0.0000002000000000 ] - [ -0.0010694400000000, 0.0007013600000000, 0.0000000000000000 ] - [ 0.6824601500000000, -0.0097630200000000, 0.0000000000000000 ] - [ 0.0151946000000000, -0.0000252900000000, -0.0000155500000000 ] - [ 0.0151946000000000, -0.0000252900000000, 0.0000155500000000 ] - [ 0.0063975800000000, -0.0038933500000000, 0.0012908800000000 ] - [ 0.0063975800000000, -0.0038933500000000, -0.0012908800000000 ] - [ 0.0005460600000000, -0.0008245200000000, 0.0000000000000000 ] - [ 0.0043110500000000, -0.0024586000000000, 0.0008894700000000 ] - [ 0.0043110500000000, -0.0024586000000000, -0.0008894700000000 ] - [ 0.0007944500000000, -0.0000891100000000, 0.0000000000000000 ] - [ 0.0057277500000000, -0.0005593300000000, -0.0021826800000000 ] - [ 0.0057277500000000, -0.0005593300000000, 0.0021826800000000 ] - [ 0.0004392600000000, 0.0001299100000000, 0.0000000000000000 ] - [ -0.0004748500000000, 0.0045675500000000, -0.0014874700000000 ] - [ -0.0004748500000000, 0.0045675500000000, 0.0014874700000000 ] - [ -0.0005107800000000, 0.0008959500000000, 0.0000000000000000 ] - [ 0.0077040100000000, 0.0052882500000000, 0.0023934800000000 ] - [ 0.0077040100000000, 0.0052882500000000, -0.0023934800000000 ] - [ 0.0006254900000000, -0.0001160900000000, 0.0000000000000000 ] - [ -0.2163511900000000, -0.1185206100000000, 0.0000000000000000 ] - [ -0.0048205100000000, -0.0027833000000000, 0.0048017300000000 ] - [ -0.0048205100000000, -0.0027833000000000, -0.0048017300000000 ] - [ -0.1082892500000000, 0.0589620700000000, 0.0000000000000000 ] - [ -0.0031697600000000, 0.0011285700000000, 0.0017849200000000 ] - [ -0.0031697600000000, 0.0011285700000000, -0.0017849200000000 ] - [ -0.3369774900000000, 0.0709907100000000, 0.0000000000000000 ] - [ -0.0071816800000000, 0.0017744500000000, -0.0065799700000000 ] - [ -0.0071816800000000, 0.0017744500000000, 0.0065799700000000 ] - [ 0.0064182800000000, -0.0015420700000000, -0.0008903000000000 ] - [ 0.0064182800000000, -0.0015420700000000, 0.0008903000000000 ] - [ 0.0013843700000000, 0.0000085400000000, 0.0000000000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002825900000000, 0.0003467100000000, -0.0001544400000000 ] - [ 0.0006767800000000, 0.0004327200000000, -0.0000065600000000 ] - [ -0.0000966900000000, 0.0002631800000000, 0.0000037400000000 ] - [ -0.0004415600000000, 0.0000713800000000, -0.0001544400000000 ] - [ -0.0007131300000000, 0.0003697500000000, -0.0000065600000000 ] - [ -0.0001795800000000, -0.0002153200000000, 0.0000037400000000 ] - [ 0.0001589600000000, -0.0004180900000000, -0.0001544400000000 ] - [ 0.0000363500000000, -0.0008024700000000, -0.0000065600000000 ] - [ 0.0002762600000000, -0.0000478500000000, 0.0000037400000000 ] - [ 0.0028954200000000, -0.0010915900000000, -0.0000845000000000 ] - [ -0.0032052900000000, 0.0011142100000000, -0.0000902500000000 ] - [ -0.0001258800000000, 0.0000154700000000, 0.0006475200000000 ] - [ -0.0023930600000000, -0.0019617200000000, -0.0000845000000000 ] - [ 0.0025675800000000, 0.0022187600000000, -0.0000902500000000 ] - [ 0.0000763300000000, 0.0001012800000000, 0.0006475200000000 ] - [ -0.0005023700000000, 0.0030533000000000, -0.0000845000000000 ] - [ 0.0006377100000000, -0.0033329600000000, -0.0000902500000000 ] - [ 0.0000495400000000, -0.0001167500000000, 0.0006475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001630500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001668600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001141500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000664700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000643000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000764200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2554249100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035094300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034682300000000 ] - [ 0.0002409200000000, -0.0002561600000000, 0.0003342300000000 ] - [ -0.0004151200000000, -0.0005091500000000, 0.0003494800000000 ] - [ -0.0000861000000000, -0.0003825700000000, -0.0000510200000000 ] - [ 0.0001013800000000, 0.0003367200000000, 0.0003342300000000 ] - [ 0.0006485000000000, -0.0001049300000000, 0.0003494800000000 ] - [ 0.0003743700000000, 0.0001167200000000, -0.0000510200000000 ] - [ -0.0003423000000000, -0.0000805600000000, 0.0003342300000000 ] - [ -0.0002333800000000, 0.0006140800000000, 0.0003494800000000 ] - [ -0.0002882700000000, 0.0002658500000000, -0.0000510200000000 ] - [ -0.0004334600000000, 0.0005856900000000, 0.0001087200000000 ] - [ -0.0006459900000000, 0.0004922800000000, 0.0001204000000000 ] - [ -0.0005401500000000, 0.0005378900000000, -0.0001188100000000 ] - [ -0.0002905000000000, -0.0006682400000000, 0.0001087200000000 ] - [ -0.0001033300000000, -0.0008055800000000, 0.0001204000000000 ] - [ -0.0001957500000000, -0.0007367200000000, -0.0001188100000000 ] - [ -0.0002255500000000, -0.0007877500000000, 0.0835320400000000 ] - [ -0.0001330500000000, -0.0006289500000000, -0.0009361300000000 ] - [ 0.0007352700000000, 0.0001120400000000, -0.0009286900000000 ] - [ -0.0005694300000000, 0.0005892100000000, 0.0835320400000000 ] - [ -0.0004781600000000, 0.0004297000000000, -0.0009361300000000 ] - [ -0.0002706100000000, -0.0006927900000000, -0.0009286900000000 ] - [ 0.0007949800000000, 0.0001985400000000, 0.0835320400000000 ] - [ 0.0006112100000000, 0.0001992500000000, -0.0009361300000000 ] - [ -0.0004646700000000, 0.0005807400000000, -0.0009286900000000 ] - [ 0.0007239600000000, 0.0000825400000000, 0.0001087200000000 ] - [ 0.0007493200000000, 0.0003133100000000, 0.0001204000000000 ] - [ 0.0007359000000000, 0.0001988400000000, -0.0001188100000000 ]- atom: 28 displacement: [ 0.0100000000000000, -0.0000000000120628, 0.0000000000000000 ] forces: - [ 0.0050381200000000, 0.0023976900000000, -0.0034412600000000 ] - [ 0.0003375400000000, 0.0003174700000000, 0.0000000000000000 ] - [ 0.0050381200000000, 0.0023976900000000, 0.0034412600000000 ] - [ -0.0026031500000000, -0.0014642200000000, -0.0018989200000000 ] - [ -0.0005258400000000, -0.0000307900000000, 0.0000000000000000 ] - [ -0.0026031500000000, -0.0014642200000000, 0.0018989200000000 ] - [ 0.0001526900000000, 0.0014136200000000, 0.0016079100000000 ] - [ 0.0001732300000000, -0.0002515300000000, 0.0000000000000000 ] - [ 0.0001526900000000, 0.0014136200000000, -0.0016079100000000 ] - [ 0.0196993900000000, -0.0091777000000000, 0.0000000000000000 ] - [ 0.0000105200000000, 0.0003390800000000, -0.0008971400000000 ] - [ 0.0000105200000000, 0.0003390800000000, 0.0008971400000000 ] - [ -0.0054738900000000, -0.0002832100000000, 0.0000000000000000 ] - [ -0.0002951500000000, -0.0000108800000000, 0.0004829000000000 ] - [ -0.0002951500000000, -0.0000108800000000, -0.0004829000000000 ] - [ 0.0004951900000000, -0.0016253300000000, 0.0000000000000000 ] - [ 0.0000139300000000, -0.0002365300000000, -0.0001814000000000 ] - [ 0.0000139300000000, -0.0002365300000000, 0.0001814000000000 ] - [ 0.0012375000000000, 0.0012027800000000, 0.0000000000000000 ] - [ 0.0001464100000000, 0.0000463100000000, 0.0000261700000000 ] - [ 0.0001464100000000, 0.0000463100000000, -0.0000261700000000 ] - [ 0.1018253600000000, -0.0345522900000000, 0.0000000000000000 ] - [ 0.0026660800000000, -0.0006202300000000, 0.0001261700000000 ] - [ 0.0026660800000000, -0.0006202300000000, -0.0001261700000000 ] - [ -0.0065189900000000, -0.0010749500000000, 0.0003308300000000 ] - [ -0.0006521900000000, -0.0000843300000000, 0.0000000000000000 ] - [ -0.0065189900000000, -0.0010749500000000, -0.0003308300000000 ] - [ -0.1419453000000000, 0.0575899400000000, 0.0000000000000000 ] - [ -0.0013009000000000, 0.0001126600000000, 0.0003883700000000 ] - [ -0.0013009000000000, 0.0001126600000000, -0.0003883700000000 ] - [ -0.0083672800000000, 0.0547130100000000, 0.0000000000000000 ] - [ -0.0005681500000000, -0.0000935800000000, 0.0006025900000000 ] - [ -0.0005681500000000, -0.0000935800000000, -0.0006025900000000 ] - [ 0.0184595500000000, -0.0696207500000000, 0.0000000000000000 ] - [ -0.0016244000000000, 0.0007235300000000, -0.0010809400000000 ] - [ -0.0016244000000000, 0.0007235300000000, 0.0010809400000000 ] - [ 0.0006143300000000, 0.0001070100000000, 0.0000000000000000 ] - [ -0.0003674000000000, 0.0005512300000000, -0.0000440700000000 ] - [ -0.0003674000000000, 0.0005512300000000, 0.0000440700000000 ] - [ 0.0002418700000000, -0.0042623000000000, 0.0000000000000000 ] - [ -0.0002257300000000, -0.0009983000000000, -0.0000159400000000 ] - [ -0.0002257300000000, -0.0009983000000000, 0.0000159400000000 ] - [ 0.0043665100000000, 0.0018939800000000, -0.0013012100000000 ] - [ 0.0005881900000000, -0.0000663200000000, 0.0000000000000000 ] - [ 0.0043665100000000, 0.0018939800000000, 0.0013012100000000 ] - [ 0.0007092800000000, -0.0005359900000000, -0.0001222800000000 ] - [ -0.0002796500000000, -0.0001551000000000, 0.0000000000000000 ] - [ 0.0007092800000000, -0.0005359900000000, 0.0001222800000000 ] - [ 0.0059017400000000, -0.0008291900000000, 0.0022666700000000 ] - [ 0.0003863400000000, 0.0003231500000000, 0.0000000000000000 ] - [ 0.0059017400000000, -0.0008291900000000, -0.0022666700000000 ] - [ 0.0006879700000000, 0.0018390000000000, 0.0000000000000000 ] - [ 0.0007474400000000, 0.0003944000000000, -0.0000795400000000 ] - [ 0.0007474400000000, 0.0003944000000000, 0.0000795400000000 ]- atom: 28 displacement: [ -0.0100000000000000, 0.0000000000120628, 0.0000000000000000 ] forces: - [ -0.0044648500000000, -0.0018123700000000, 0.0035648500000000 ] - [ 0.0002396800000000, 0.0003768000000000, 0.0000000000000000 ] - [ -0.0044648500000000, -0.0018123700000000, -0.0035648500000000 ] - [ 0.0017286700000000, 0.0015810800000000, 0.0019069300000000 ] - [ -0.0003601300000000, 0.0001757600000000, 0.0000000000000000 ] - [ 0.0017286700000000, 0.0015810800000000, -0.0019069300000000 ] - [ 0.0001494800000000, -0.0022192800000000, -0.0015917900000000 ] - [ 0.0001406500000000, -0.0005811800000000, 0.0000000000000000 ] - [ 0.0001494800000000, -0.0022192800000000, 0.0015917900000000 ] - [ -0.0191499800000000, 0.0083729000000000, 0.0000000000000000 ] - [ -0.0002460400000000, -0.0003690500000000, 0.0008825400000000 ] - [ -0.0002460400000000, -0.0003690500000000, -0.0008825400000000 ] - [ 0.0056407400000000, 0.0004036400000000, 0.0000000000000000 ] - [ 0.0004713100000000, 0.0001645500000000, -0.0004823600000000 ] - [ 0.0004713100000000, 0.0001645500000000, 0.0004823600000000 ] - [ -0.0004094700000000, 0.0014526100000000, 0.0000000000000000 ] - [ 0.0000722700000000, -0.0000039300000000, 0.0001849700000000 ] - [ 0.0000722700000000, -0.0000039300000000, -0.0001849700000000 ] - [ -0.0011747300000000, -0.0011185500000000, 0.0000000000000000 ] - [ -0.0001505400000000, -0.0000241100000000, -0.0000263500000000 ] - [ -0.0001505400000000, -0.0000241100000000, 0.0000263500000000 ] - [ -0.1012811400000000, 0.0332562900000000, 0.0000000000000000 ] - [ -0.0026782600000000, 0.0005912300000000, -0.0001204700000000 ] - [ -0.0026782600000000, 0.0005912300000000, 0.0001204700000000 ] - [ 0.0064588200000000, 0.0011034700000000, -0.0003263800000000 ] - [ 0.0006298900000000, 0.0000935000000000, 0.0000000000000000 ] - [ 0.0064588200000000, 0.0011034700000000, 0.0003263800000000 ] - [ 0.1407111400000000, -0.0569428600000000, 0.0000000000000000 ] - [ 0.0011032200000000, -0.0008406600000000, -0.0003828400000000 ] - [ 0.0011032200000000, -0.0008406600000000, 0.0003828400000000 ] - [ 0.0087748400000000, -0.0543997400000000, 0.0000000000000000 ] - [ 0.0013172800000000, 0.0003563400000000, -0.0006136100000000 ] - [ 0.0013172800000000, 0.0003563400000000, 0.0006136100000000 ] - [ -0.0190689000000000, 0.0710618100000000, 0.0000000000000000 ] - [ 0.0010416600000000, -0.0001779400000000, 0.0010711900000000 ] - [ 0.0010416600000000, -0.0001779400000000, -0.0010711900000000 ] - [ -0.0017224500000000, 0.0009479700000000, 0.0000000000000000 ] - [ -0.0007252600000000, 0.0005364000000000, 0.0000432700000000 ] - [ -0.0007252600000000, 0.0005364000000000, -0.0000432700000000 ] - [ -0.0006218900000000, 0.0027187400000000, 0.0000000000000000 ] - [ -0.0001557300000000, -0.0004462300000000, 0.0000226900000000 ] - [ -0.0001557300000000, -0.0004462300000000, -0.0000226900000000 ] - [ -0.0037484900000000, -0.0023970500000000, 0.0013056700000000 ] - [ 0.0000179500000000, -0.0004446100000000, 0.0000000000000000 ] - [ -0.0037484900000000, -0.0023970500000000, -0.0013056700000000 ] - [ -0.0014404100000000, 0.0002340900000000, 0.0001178800000000 ] - [ -0.0004666400000000, -0.0001221400000000, 0.0000000000000000 ] - [ -0.0014404100000000, 0.0002340900000000, -0.0001178800000000 ] - [ -0.0056959700000000, 0.0015909800000000, -0.0022366100000000 ] - [ -0.0002332800000000, 0.0004557200000000, 0.0000000000000000 ] - [ -0.0056959700000000, 0.0015909800000000, 0.0022366100000000 ] - [ 0.0007685300000000, -0.0014545700000000, 0.0000000000000000 ] - [ 0.0007454400000000, 0.0000064300000000, 0.0000815400000000 ] - [ 0.0007454400000000, 0.0000064300000000, -0.0000815400000000 ]- atom: 28 displacement: [ -0.0049999999900890, 0.0086602540435665, 0.0000000000000000 ] forces: - [ -0.0019622800000000, 0.0016414100000000, 0.0004051000000000 ] - [ 0.0000690800000000, 0.0003743100000000, 0.0000000000000000 ] - [ -0.0019622800000000, 0.0016414100000000, -0.0004051000000000 ] - [ -0.0014267300000000, 0.0025736300000000, -0.0013223400000000 ] - [ -0.0005179900000000, 0.0002274400000000, 0.0000000000000000 ] - [ -0.0014267300000000, 0.0025736300000000, 0.0013223400000000 ] - [ 0.0022760100000000, -0.0046057900000000, -0.0036078400000000 ] - [ 0.0004085000000000, -0.0007672100000000, 0.0000000000000000 ] - [ 0.0022760100000000, -0.0046057900000000, 0.0036078400000000 ] - [ -0.0149989100000000, 0.0124043400000000, 0.0000000000000000 ] - [ 0.0005877600000000, -0.0003008800000000, 0.0017285200000000 ] - [ 0.0005877600000000, -0.0003008800000000, -0.0017285200000000 ] - [ 0.0065147200000000, 0.0042714900000000, 0.0000000000000000 ] - [ 0.0004895100000000, 0.0005562900000000, -0.0006389500000000 ] - [ 0.0004895100000000, 0.0005562900000000, 0.0006389500000000 ] - [ -0.0023180300000000, -0.0069438300000000, 0.0000000000000000 ] - [ -0.0003311400000000, -0.0006759200000000, -0.0006722500000000 ] - [ -0.0003311400000000, -0.0006759200000000, 0.0006722500000000 ] - [ -0.0021939900000000, -0.0109604100000000, 0.0000000000000000 ] - [ -0.0000842800000000, -0.0018605600000000, 0.0000649000000000 ] - [ -0.0000842800000000, -0.0018605600000000, -0.0000649000000000 ] - [ -0.0804039100000000, 0.3394440700000000, 0.0000000000000000 ] - [ -0.0018931100000000, 0.0070574000000000, -0.0005867300000000 ] - [ -0.0018931100000000, 0.0070574000000000, 0.0005867300000000 ] - [ 0.0062451300000000, -0.0033439300000000, -0.0000552000000000 ] - [ 0.0006960300000000, -0.0004365100000000, 0.0000000000000000 ] - [ 0.0062451300000000, -0.0033439300000000, 0.0000552000000000 ] - [ 0.1209524500000000, -0.4954584600000000, 0.0000000000000000 ] - [ 0.0009182600000000, -0.0048942900000000, -0.0028901500000000 ] - [ 0.0009182600000000, -0.0048942900000000, 0.0028901500000000 ] - [ 0.0405688800000000, 0.0449365100000000, 0.0000000000000000 ] - [ -0.0001548600000000, -0.0017245200000000, 0.0013548400000000 ] - [ -0.0001548600000000, -0.0017245200000000, -0.0013548400000000 ] - [ -0.0597754000000000, 0.0849032400000000, 0.0000000000000000 ] - [ 0.0015770200000000, -0.0015834900000000, 0.0020498600000000 ] - [ 0.0015770200000000, -0.0015834900000000, -0.0020498600000000 ] - [ -0.0012859300000000, 0.0073994700000000, 0.0000000000000000 ] - [ -0.0006446400000000, 0.0016220500000000, 0.0004999900000000 ] - [ -0.0006446400000000, 0.0016220500000000, -0.0004999900000000 ] - [ -0.0018687700000000, 0.0116200100000000, 0.0000000000000000 ] - [ -0.0001608900000000, 0.0003856900000000, -0.0004108200000000 ] - [ -0.0001608900000000, 0.0003856900000000, 0.0004108200000000 ] - [ -0.0019097100000000, -0.0014855700000000, 0.0007381200000000 ] - [ 0.0001410000000000, -0.0003517900000000, 0.0000000000000000 ] - [ -0.0019097100000000, -0.0014855700000000, -0.0007381200000000 ] - [ -0.0017231200000000, 0.0038965700000000, 0.0010824900000000 ] - [ -0.0004914300000000, 0.0002567200000000, 0.0000000000000000 ] - [ -0.0017231200000000, 0.0038965700000000, -0.0010824900000000 ] - [ -0.0067019900000000, 0.0018755200000000, -0.0022657300000000 ] - [ -0.0004402500000000, 0.0004994900000000, 0.0000000000000000 ] - [ -0.0067019900000000, 0.0018755200000000, 0.0022657300000000 ] - [ 0.0032675600000000, 0.0081194200000000, 0.0000000000000000 ] - [ 0.0007372500000000, 0.0010972200000000, -0.0004147100000000 ] - [ 0.0007372500000000, 0.0010972200000000, 0.0004147100000000 ]- atom: 28 displacement: [ 0.0049999999900890, -0.0086602540435665, 0.0000000000000000 ] forces: - [ 0.0025116300000000, -0.0009798400000000, -0.0003625600000000 ] - [ 0.0004989700000000, 0.0003200200000000, 0.0000000000000000 ] - [ 0.0025116300000000, -0.0009798400000000, 0.0003625600000000 ] - [ 0.0005561800000000, -0.0024187200000000, 0.0013213900000000 ] - [ -0.0003668100000000, -0.0000862100000000, 0.0000000000000000 ] - [ 0.0005561800000000, -0.0024187200000000, -0.0013213900000000 ] - [ -0.0019577400000000, 0.0037587300000000, 0.0035772900000000 ] - [ -0.0000874900000000, -0.0000642400000000, 0.0000000000000000 ] - [ -0.0019577400000000, 0.0037587300000000, -0.0035772900000000 ] - [ 0.0161888600000000, -0.0132897100000000, 0.0000000000000000 ] - [ -0.0008190500000000, 0.0002606100000000, -0.0017374100000000 ] - [ -0.0008190500000000, 0.0002606100000000, 0.0017374100000000 ] - [ -0.0063347000000000, -0.0040283100000000, 0.0000000000000000 ] - [ -0.0003134000000000, -0.0003872300000000, 0.0006331100000000 ] - [ -0.0003134000000000, -0.0003872300000000, -0.0006331100000000 ] - [ 0.0023948200000000, 0.0066822600000000, 0.0000000000000000 ] - [ 0.0004173500000000, 0.0004282200000000, 0.0006666200000000 ] - [ 0.0004173500000000, 0.0004282200000000, -0.0006666200000000 ] - [ 0.0022605700000000, 0.0109574000000000, 0.0000000000000000 ] - [ 0.0000901800000000, 0.0018632300000000, -0.0000670200000000 ] - [ 0.0000901800000000, 0.0018632300000000, 0.0000670200000000 ] - [ 0.0784272100000000, -0.3129925600000000, 0.0000000000000000 ] - [ 0.0018626400000000, -0.0069762800000000, 0.0006068900000000 ] - [ 0.0018626400000000, -0.0069762800000000, -0.0006068900000000 ] - [ -0.0062874900000000, 0.0033145300000000, 0.0000550400000000 ] - [ -0.0007147700000000, 0.0004374000000000, 0.0000000000000000 ] - [ -0.0062874900000000, 0.0033145300000000, -0.0000550400000000 ] - [ -0.1195812800000000, 0.4666310500000000, 0.0000000000000000 ] - [ -0.0011111300000000, 0.0041106300000000, 0.0028410000000000 ] - [ -0.0011111300000000, 0.0041106300000000, -0.0028410000000000 ] - [ -0.0392446500000000, -0.0444849200000000, 0.0000000000000000 ] - [ 0.0008909700000000, 0.0019594400000000, -0.0013480900000000 ] - [ 0.0008909700000000, 0.0019594400000000, 0.0013480900000000 ] - [ 0.0575916800000000, -0.0820925100000000, 0.0000000000000000 ] - [ -0.0021375000000000, 0.0021001200000000, -0.0020364400000000 ] - [ -0.0021375000000000, 0.0021001200000000, 0.0020364400000000 ] - [ 0.0001638400000000, -0.0062972400000000, 0.0000000000000000 ] - [ -0.0004508700000000, -0.0005284100000000, -0.0004930000000000 ] - [ -0.0004508700000000, -0.0005284100000000, 0.0004930000000000 ] - [ 0.0014820600000000, -0.0131062400000000, 0.0000000000000000 ] - [ -0.0002198000000000, -0.0018183800000000, 0.0004207300000000 ] - [ -0.0002198000000000, -0.0018183800000000, -0.0004207300000000 ] - [ 0.0025522500000000, 0.0009871300000000, -0.0007467200000000 ] - [ 0.0004672300000000, -0.0001586300000000, 0.0000000000000000 ] - [ 0.0025522500000000, 0.0009871300000000, 0.0007467200000000 ] - [ 0.0009844200000000, -0.0041520800000000, -0.0010766000000000 ] - [ -0.0002564900000000, -0.0005260700000000, 0.0000000000000000 ] - [ 0.0009844200000000, -0.0041520800000000, 0.0010766000000000 ] - [ 0.0068682000000000, -0.0010870800000000, 0.0022797600000000 ] - [ 0.0005873400000000, 0.0002831200000000, 0.0000000000000000 ] - [ 0.0068682000000000, -0.0010870800000000, -0.0022797600000000 ] - [ -0.0018398200000000, -0.0076915700000000, 0.0000000000000000 ] - [ 0.0007448900000000, -0.0006811200000000, 0.0004140700000000 ] - [ 0.0007448900000000, -0.0006811200000000, -0.0004140700000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0031471100000000, -0.0027963000000000, 0.0072915100000000 ] - [ 0.0002813800000000, 0.0003609500000000, -0.0015874000000000 ] - [ 0.0034867500000000, 0.0032905200000000, 0.0070410600000000 ] - [ -0.0016266000000000, -0.0013997400000000, 0.0002428500000000 ] - [ -0.0004486200000000, 0.0000579400000000, -0.0010509600000000 ] - [ 0.0007321500000000, 0.0014979300000000, 0.0002189700000000 ] - [ 0.0001338000000000, -0.0002925500000000, 0.0004862100000000 ] - [ 0.0001728800000000, -0.0004141400000000, -0.0008967600000000 ] - [ 0.0002026500000000, -0.0005166900000000, 0.0004522400000000 ] - [ -0.0001594600000000, 0.0000324800000000, 0.0055442100000000 ] - [ -0.0011440500000000, 0.0006975700000000, -0.0016313600000000 ] - [ 0.0009116900000000, -0.0007089700000000, -0.0016261800000000 ] - [ 0.0000787100000000, 0.0000755500000000, 0.0014357200000000 ] - [ 0.0005439400000000, -0.0000110500000000, -0.0005929100000000 ] - [ -0.0003579100000000, 0.0001583600000000, -0.0005975300000000 ] - [ 0.0000395500000000, -0.0000914400000000, -0.0001231000000000 ] - [ 0.0001655200000000, -0.0003085000000000, -0.0002920300000000 ] - [ -0.0000644700000000, 0.0000484700000000, -0.0002997900000000 ] - [ 0.0000059600000000, 0.0000140700000000, -0.0000002300000000 ] - [ -0.0001392900000000, 0.0007475900000000, -0.0000165300000000 ] - [ 0.0001188200000000, -0.0007306500000000, -0.0000173900000000 ] - [ 0.0001351800000000, -0.0011854600000000, 0.0796598700000000 ] - [ 0.0007444200000000, -0.0064430300000000, -0.0008217800000000 ] - [ -0.0007378500000000, 0.0063700000000000, -0.0008182300000000 ] - [ -0.0012984900000000, 0.0017934300000000, 0.0003400300000000 ] - [ -0.0000040400000000, -0.0000031200000000, -0.0000481000000000 ] - [ 0.0012764500000000, -0.0017524900000000, 0.0003421900000000 ] - [ 0.0000066000000000, 0.0013992600000000, -0.0520272500000000 ] - [ -0.0004750100000000, 0.0027035800000000, 0.0059263800000000 ] - [ 0.0002956400000000, -0.0034589400000000, 0.0058351300000000 ] - [ 0.0003191400000000, -0.0000732000000000, -0.0263754600000000 ] - [ 0.0013242700000000, 0.0019359000000000, 0.0000528500000000 ] - [ -0.0005919000000000, -0.0016569400000000, 0.0000637000000000 ] - [ -0.0002137500000000, 0.0000945500000000, -0.0263756400000000 ] - [ -0.0016405100000000, 0.0017536800000000, 0.0000527200000000 ] - [ 0.0010281100000000, -0.0011936200000000, 0.0000640500000000 ] - [ -0.0005354800000000, 0.0005542700000000, -0.0000367200000000 ] - [ -0.0005041500000000, 0.0001080800000000, 0.0001301500000000 ] - [ -0.0005712400000000, 0.0009950300000000, 0.0001335000000000 ] - [ -0.0002160600000000, -0.0007428200000000, -0.0016555000000000 ] - [ -0.0000889900000000, -0.0011929100000000, 0.0004660200000000 ] - [ -0.0002833800000000, -0.0002345800000000, 0.0004659800000000 ] - [ -0.0000729800000000, -0.0004626100000000, -0.0001937500000000 ] - [ 0.0003224600000000, -0.0002418800000000, 0.0006722400000000 ] - [ 0.0006791100000000, -0.0000497900000000, -0.0001890600000000 ] - [ 0.0002166200000000, -0.0018870800000000, -0.0004146200000000 ] - [ -0.0003714400000000, -0.0001275000000000, 0.0005100800000000 ] - [ -0.0009321400000000, 0.0015304800000000, -0.0004045600000000 ] - [ 0.0025415600000000, -0.0007266500000000, 0.0000782000000000 ] - [ 0.0000446900000000, 0.0003956900000000, 0.0007952100000000 ] - [ -0.0024098300000000, 0.0015075500000000, 0.0000783500000000 ] - [ 0.0007255900000000, 0.0002014500000000, -0.0014699700000000 ] - [ 0.0008184000000000, -0.0003712300000000, 0.0005922300000000 ] - [ 0.0006827300000000, 0.0007494800000000, 0.0005911300000000 ]- atom: 37 displacement: [ 0.0100000000000000, -0.0000000000120628, 0.0000000000000000 ] forces: - [ 0.0011067800000000, 0.0015038000000000, 0.0010266700000000 ] - [ 0.0003215100000000, 0.0004587500000000, 0.0000000000000000 ] - [ 0.0011067800000000, 0.0015038000000000, -0.0010266700000000 ] - [ 0.0053539300000000, 0.0011621200000000, -0.0039454100000000 ] - [ -0.0003850800000000, -0.0000170200000000, 0.0000000000000000 ] - [ 0.0053539300000000, 0.0011621200000000, 0.0039454100000000 ] - [ -0.0025172900000000, -0.0012570500000000, -0.0026634200000000 ] - [ 0.0001073600000000, -0.0004154200000000, 0.0000000000000000 ] - [ -0.0025172900000000, -0.0012570500000000, 0.0026634200000000 ] - [ -0.0009268300000000, -0.0027152200000000, 0.0000000000000000 ] - [ -0.0001234000000000, -0.0002527000000000, -0.0002506300000000 ] - [ -0.0001234000000000, -0.0002527000000000, 0.0002506300000000 ] - [ 0.0130511200000000, -0.0096431700000000, 0.0000000000000000 ] - [ 0.0002150800000000, 0.0003055500000000, -0.0005620800000000 ] - [ 0.0002150800000000, 0.0003055500000000, 0.0005620800000000 ] - [ -0.0042262700000000, 0.0000408200000000, 0.0000000000000000 ] - [ -0.0003128600000000, -0.0000008200000000, 0.0003369100000000 ] - [ -0.0003128600000000, -0.0000008200000000, -0.0003369100000000 ] - [ 0.0933765600000000, -0.0041120500000000, 0.0000000000000000 ] - [ 0.0025158000000000, -0.0000585200000000, 0.0000538300000000 ] - [ 0.0025158000000000, -0.0000585200000000, -0.0000538300000000 ] - [ -0.0093609800000000, -0.0015925300000000, 0.0000000000000000 ] - [ -0.0016253900000000, -0.0001265700000000, -0.0000081100000000 ] - [ -0.0016253900000000, -0.0001265700000000, 0.0000081100000000 ] - [ -0.0000618600000000, 0.0015103600000000, 0.0001056600000000 ] - [ -0.0000414400000000, 0.0001581100000000, 0.0000000000000000 ] - [ -0.0000618600000000, 0.0015103600000000, -0.0001056600000000 ] - [ 0.0010799900000000, -0.0005643000000000, 0.0000000000000000 ] - [ 0.0000847400000000, -0.0003880300000000, -0.0000347600000000 ] - [ 0.0000847400000000, -0.0003880300000000, 0.0000347600000000 ] - [ 0.0098780800000000, 0.0039962900000000, 0.0000000000000000 ] - [ 0.0013091400000000, 0.0004729800000000, -0.0004483700000000 ] - [ 0.0013091400000000, 0.0004729800000000, 0.0004483700000000 ] - [ 0.0113192300000000, -0.0026795300000000, 0.0000000000000000 ] - [ 0.0006523500000000, -0.0000174700000000, 0.0004677500000000 ] - [ 0.0006523500000000, -0.0000174700000000, -0.0004677500000000 ] - [ -0.1358168400000000, 0.0168398300000000, 0.0000000000000000 ] - [ -0.0016255200000000, 0.0006008000000000, 0.0000423800000000 ] - [ -0.0016255200000000, 0.0006008000000000, -0.0000423800000000 ] - [ 0.0041227200000000, 0.0606845200000000, 0.0000000000000000 ] - [ -0.0012660000000000, -0.0010651200000000, 0.0007640700000000 ] - [ -0.0012660000000000, -0.0010651200000000, -0.0007640700000000 ] - [ 0.0000494200000000, -0.0017226700000000, 0.0005029000000000 ] - [ 0.0002830600000000, -0.0003286800000000, 0.0000000000000000 ] - [ 0.0000494200000000, -0.0017226700000000, -0.0005029000000000 ] - [ 0.0006251900000000, -0.0011641100000000, -0.0004322900000000 ] - [ -0.0002726600000000, -0.0002379100000000, 0.0000000000000000 ] - [ 0.0006251900000000, -0.0011641100000000, 0.0004322900000000 ] - [ 0.0007038100000000, 0.0009177500000000, 0.0004829600000000 ] - [ 0.0001227400000000, 0.0004099900000000, 0.0000000000000000 ] - [ 0.0007038100000000, 0.0009177500000000, -0.0004829600000000 ] - [ 0.0078645000000000, -0.0622303200000000, 0.0000000000000000 ] - [ -0.0003322900000000, 0.0005536500000000, -0.0008570500000000 ] - [ -0.0003322900000000, 0.0005536500000000, 0.0008570500000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000120628, 0.0000000000000000 ] forces: - [ -0.0005402700000000, -0.0007734900000000, -0.0010041100000000 ] - [ 0.0002507500000000, 0.0002416900000000, 0.0000000000000000 ] - [ -0.0005402700000000, -0.0007734900000000, 0.0010041100000000 ] - [ -0.0063706000000000, -0.0011553900000000, 0.0041789300000000 ] - [ -0.0005062600000000, 0.0001578700000000, 0.0000000000000000 ] - [ -0.0063706000000000, -0.0011553900000000, -0.0041789300000000 ] - [ 0.0028433300000000, 0.0003894100000000, 0.0026671200000000 ] - [ 0.0002144400000000, -0.0004241500000000, 0.0000000000000000 ] - [ 0.0028433300000000, 0.0003894100000000, -0.0026671200000000 ] - [ 0.0007152100000000, 0.0027526000000000, 0.0000000000000000 ] - [ -0.0001068400000000, 0.0002299800000000, 0.0002523800000000 ] - [ -0.0001068400000000, 0.0002299800000000, -0.0002523800000000 ] - [ -0.0126980200000000, 0.0092523800000000, 0.0000000000000000 ] - [ -0.0000354300000000, -0.0001470000000000, 0.0005503800000000 ] - [ -0.0000354300000000, -0.0001470000000000, -0.0005503800000000 ] - [ 0.0042698500000000, -0.0003112500000000, 0.0000000000000000 ] - [ 0.0003942400000000, -0.0002498800000000, -0.0003342900000000 ] - [ 0.0003942400000000, -0.0002498800000000, 0.0003342900000000 ] - [ -0.0933605300000000, 0.0022800100000000, 0.0000000000000000 ] - [ -0.0025279900000000, 0.0000373700000000, -0.0000485700000000 ] - [ -0.0025279900000000, 0.0000373700000000, 0.0000485700000000 ] - [ 0.0093266600000000, 0.0016538100000000, 0.0000000000000000 ] - [ 0.0016093000000000, 0.0001330500000000, 0.0000069200000000 ] - [ 0.0016093000000000, 0.0001330500000000, -0.0000069200000000 ] - [ 0.0000742600000000, -0.0014490400000000, -0.0001073000000000 ] - [ 0.0000270100000000, -0.0001473000000000, 0.0000000000000000 ] - [ 0.0000742600000000, -0.0014490400000000, 0.0001073000000000 ] - [ -0.0012597300000000, -0.0002402100000000, 0.0000000000000000 ] - [ -0.0002753200000000, -0.0003705500000000, 0.0000352700000000 ] - [ -0.0002753200000000, -0.0003705500000000, -0.0000352700000000 ] - [ -0.0091853100000000, -0.0037627900000000, 0.0000000000000000 ] - [ -0.0005652000000000, -0.0002188300000000, 0.0004522000000000 ] - [ -0.0005652000000000, -0.0002188300000000, -0.0004522000000000 ] - [ -0.0117753200000000, 0.0031731400000000, 0.0000000000000000 ] - [ -0.0012299500000000, 0.0005563500000000, -0.0004636400000000 ] - [ -0.0012299500000000, 0.0005563500000000, 0.0004636400000000 ] - [ 0.1347569700000000, -0.0139289400000000, 0.0000000000000000 ] - [ 0.0005315500000000, 0.0005097000000000, -0.0000358300000000 ] - [ 0.0005315500000000, 0.0005097000000000, 0.0000358300000000 ] - [ -0.0047128300000000, -0.0616874100000000, 0.0000000000000000 ] - [ 0.0008970700000000, -0.0003641300000000, -0.0007743100000000 ] - [ 0.0008970700000000, -0.0003641300000000, 0.0007743100000000 ] - [ 0.0005548300000000, 0.0011576400000000, -0.0004708600000000 ] - [ 0.0003188000000000, -0.0001873100000000, 0.0000000000000000 ] - [ 0.0005548300000000, 0.0011576400000000, 0.0004708600000000 ] - [ -0.0013670800000000, 0.0008625500000000, 0.0004210300000000 ] - [ -0.0004751100000000, -0.0000374900000000, 0.0000000000000000 ] - [ -0.0013670800000000, 0.0008625500000000, -0.0004210300000000 ] - [ -0.0005734500000000, -0.0001608800000000, -0.0004814000000000 ] - [ 0.0000257200000000, 0.0003671600000000, 0.0000000000000000 ] - [ -0.0005734500000000, -0.0001608800000000, 0.0004814000000000 ] - [ -0.0061959500000000, 0.0631573700000000, 0.0000000000000000 ] - [ 0.0018194000000000, -0.0001414400000000, 0.0008460600000000 ] - [ 0.0018194000000000, -0.0001414400000000, -0.0008460600000000 ]- atom: 37 displacement: [ -0.0049999999900890, 0.0086602540435665, 0.0000000000000000 ] forces: - [ 0.0011178300000000, -0.0037565400000000, -0.0040011300000000 ] - [ 0.0004809400000000, 0.0000202100000000, 0.0000000000000000 ] - [ 0.0011178300000000, -0.0037565400000000, 0.0040011300000000 ] - [ -0.0044567400000000, 0.0018595300000000, 0.0021403100000000 ] - [ -0.0006946500000000, 0.0002208300000000, 0.0000000000000000 ] - [ -0.0044567400000000, 0.0018595300000000, -0.0021403100000000 ] - [ 0.0008371200000000, 0.0032010900000000, -0.0004661900000000 ] - [ 0.0001472900000000, -0.0001833300000000, 0.0000000000000000 ] - [ 0.0008371200000000, 0.0032010900000000, 0.0004661900000000 ] - [ -0.0037054700000000, -0.0060991400000000, 0.0000000000000000 ] - [ -0.0006725000000000, -0.0005027400000000, -0.0004051600000000 ] - [ -0.0006725000000000, -0.0005027400000000, 0.0004051600000000 ] - [ -0.0134895900000000, 0.0155039800000000, 0.0000000000000000 ] - [ 0.0006540900000000, -0.0002623600000000, 0.0017293400000000 ] - [ 0.0006540900000000, -0.0002623600000000, -0.0017293400000000 ] - [ 0.0081579000000000, 0.0019593100000000, 0.0000000000000000 ] - [ 0.0005650800000000, -0.0000209200000000, -0.0006679800000000 ] - [ 0.0005650800000000, -0.0000209200000000, 0.0006679800000000 ] - [ -0.0486268400000000, 0.3223954200000000, 0.0000000000000000 ] - [ -0.0013043800000000, 0.0067126100000000, -0.0005423800000000 ] - [ -0.0013043800000000, 0.0067126100000000, 0.0005423800000000 ] - [ 0.0061259900000000, -0.0070120200000000, 0.0000000000000000 ] - [ 0.0008903300000000, -0.0014251200000000, 0.0000143200000000 ] - [ 0.0008903300000000, -0.0014251200000000, -0.0000143200000000 ] - [ -0.0034216700000000, -0.0085277400000000, -0.0000136900000000 ] - [ -0.0002915200000000, -0.0009004200000000, 0.0000000000000000 ] - [ -0.0034216700000000, -0.0085277400000000, 0.0000136900000000 ] - [ -0.0010265900000000, 0.0063571600000000, 0.0000000000000000 ] - [ -0.0001758200000000, 0.0007107200000000, 0.0003998600000000 ] - [ -0.0001758200000000, 0.0007107200000000, -0.0003998600000000 ] - [ -0.0020972600000000, -0.0013499900000000, 0.0000000000000000 ] - [ 0.0003812900000000, 0.0001346300000000, -0.0000466300000000 ] - [ 0.0003812900000000, 0.0001346300000000, 0.0000466300000000 ] - [ -0.0101303700000000, 0.0027284700000000, 0.0000000000000000 ] - [ -0.0012586900000000, 0.0005340800000000, -0.0003753600000000 ] - [ -0.0012586900000000, 0.0005340800000000, 0.0003753600000000 ] - [ 0.0794530100000000, -0.4740233700000000, 0.0000000000000000 ] - [ 0.0000295300000000, -0.0036315300000000, -0.0026275900000000 ] - [ 0.0000295300000000, -0.0036315300000000, 0.0026275900000000 ] - [ 0.0413173900000000, 0.0311470300000000, 0.0000000000000000 ] - [ -0.0006969400000000, -0.0022623000000000, 0.0011810600000000 ] - [ -0.0006969400000000, -0.0022623000000000, -0.0011810600000000 ] - [ 0.0011754800000000, 0.0079337800000000, -0.0034570800000000 ] - [ 0.0004960900000000, 0.0002299000000000, 0.0000000000000000 ] - [ 0.0011754800000000, 0.0079337800000000, 0.0034570800000000 ] - [ -0.0018144300000000, 0.0048478800000000, 0.0019856400000000 ] - [ -0.0005002700000000, 0.0003325600000000, 0.0000000000000000 ] - [ -0.0018144300000000, 0.0048478800000000, -0.0019856400000000 ] - [ 0.0020139800000000, 0.0036080900000000, -0.0003362900000000 ] - [ 0.0002245000000000, 0.0006361700000000, 0.0000000000000000 ] - [ 0.0020139800000000, 0.0036080900000000, 0.0003362900000000 ] - [ -0.0482486700000000, 0.0931271400000000, 0.0000000000000000 ] - [ 0.0023405100000000, -0.0016981100000000, 0.0020216100000000 ] - [ 0.0023405100000000, -0.0016981100000000, -0.0020216100000000 ]- atom: 37 displacement: [ 0.0049999999900890, -0.0086602540435665, 0.0000000000000000 ] forces: - [ -0.0005674300000000, 0.0044470000000000, 0.0039774700000000 ] - [ 0.0000892100000000, 0.0006802800000000, 0.0000000000000000 ] - [ -0.0005674300000000, 0.0044470000000000, -0.0039774700000000 ] - [ 0.0035866600000000, -0.0017467800000000, -0.0021441400000000 ] - [ -0.0002001800000000, -0.0000843700000000, 0.0000000000000000 ] - [ 0.0035866600000000, -0.0017467800000000, 0.0021441400000000 ] - [ -0.0004835000000000, -0.0040328500000000, 0.0004785000000000 ] - [ 0.0001803800000000, -0.0006516100000000, 0.0000000000000000 ] - [ -0.0004835000000000, -0.0040328500000000, -0.0004785000000000 ] - [ 0.0034816100000000, 0.0060823600000000, 0.0000000000000000 ] - [ 0.0004374900000000, 0.0004730500000000, 0.0004002800000000 ] - [ 0.0004374900000000, 0.0004730500000000, -0.0004002800000000 ] - [ 0.0149697600000000, -0.0168113900000000, 0.0000000000000000 ] - [ -0.0004678000000000, 0.0004120600000000, -0.0017424000000000 ] - [ -0.0004678000000000, 0.0004120600000000, 0.0017424000000000 ] - [ -0.0080289000000000, -0.0021493300000000, 0.0000000000000000 ] - [ -0.0004808700000000, -0.0002214900000000, 0.0006587300000000 ] - [ -0.0004808700000000, -0.0002214900000000, -0.0006587300000000 ] - [ 0.0498555500000000, -0.2989993000000000, 0.0000000000000000 ] - [ 0.0012803100000000, -0.0066349600000000, 0.0005616700000000 ] - [ 0.0012803100000000, -0.0066349600000000, -0.0005616700000000 ] - [ -0.0061906500000000, 0.0069452100000000, 0.0000000000000000 ] - [ -0.0009152500000000, 0.0014091400000000, -0.0000144400000000 ] - [ -0.0009152500000000, 0.0014091400000000, 0.0000144400000000 ] - [ 0.0034565600000000, 0.0085416200000000, 0.0000118600000000 ] - [ 0.0002792100000000, 0.0009029800000000, 0.0000000000000000 ] - [ 0.0034565600000000, 0.0085416200000000, -0.0000118600000000 ] - [ 0.0008631800000000, -0.0070846100000000, 0.0000000000000000 ] - [ -0.0000106900000000, -0.0014560200000000, -0.0003946600000000 ] - [ -0.0000106900000000, -0.0014560200000000, 0.0003946600000000 ] - [ 0.0029359500000000, 0.0016397300000000, 0.0000000000000000 ] - [ 0.0003770100000000, 0.0001247700000000, 0.0000422100000000 ] - [ 0.0003770100000000, 0.0001247700000000, -0.0000422100000000 ] - [ 0.0096111200000000, -0.0021828900000000, 0.0000000000000000 ] - [ 0.0006812500000000, 0.0000086100000000, 0.0003803200000000 ] - [ 0.0006812500000000, 0.0000086100000000, -0.0003803200000000 ] - [ -0.0824202000000000, 0.4509587700000000, 0.0000000000000000 ] - [ -0.0011271400000000, 0.0046958000000000, 0.0025840900000000 ] - [ -0.0011271400000000, 0.0046958000000000, -0.0025840900000000 ] - [ -0.0413088400000000, -0.0327950500000000, 0.0000000000000000 ] - [ 0.0003189100000000, 0.0008119800000000, -0.0011790900000000 ] - [ 0.0003189100000000, 0.0008119800000000, 0.0011790900000000 ] - [ -0.0005811500000000, -0.0084836700000000, 0.0035014900000000 ] - [ 0.0001063200000000, -0.0007421400000000, 0.0000000000000000 ] - [ -0.0005811500000000, -0.0084836700000000, -0.0035014900000000 ] - [ 0.0010447500000000, -0.0051291500000000, -0.0019744500000000 ] - [ -0.0002490800000000, -0.0006030000000000, 0.0000000000000000 ] - [ 0.0010447500000000, -0.0051291500000000, 0.0019744500000000 ] - [ -0.0018985300000000, -0.0028206900000000, 0.0003410500000000 ] - [ -0.0000770200000000, 0.0001442100000000, 0.0000000000000000 ] - [ -0.0018985300000000, -0.0028206900000000, -0.0003410500000000 ] - [ 0.0484615800000000, -0.0902091400000000, 0.0000000000000000 ] - [ -0.0008300800000000, 0.0020812100000000, -0.0020113800000000 ] - [ -0.0008300800000000, 0.0020812100000000, 0.0020113800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000163800000000, 0.0003369500000000, 0.0005040300000000 ] - [ 0.0002874900000000, 0.0003465800000000, -0.0009073600000000 ] - [ 0.0005845900000000, 0.0003783700000000, 0.0004645800000000 ] - [ -0.0044746600000000, -0.0020013000000000, 0.0070574700000000 ] - [ -0.0004408800000000, 0.0000744400000000, -0.0015857400000000 ] - [ 0.0033168700000000, 0.0020049900000000, 0.0068044100000000 ] - [ -0.0020203700000000, -0.0017365300000000, -0.0000203900000000 ] - [ 0.0001559500000000, -0.0004189200000000, -0.0011413600000000 ] - [ 0.0023235900000000, 0.0008766000000000, -0.0000471400000000 ] - [ -0.0001001500000000, 0.0000110400000000, -0.0000036300000000 ] - [ -0.0001675900000000, -0.0001265600000000, -0.0003350800000000 ] - [ -0.0000846700000000, 0.0000895000000000, -0.0003481700000000 ] - [ 0.0000403500000000, 0.0001276300000000, 0.0053730400000000 ] - [ -0.0005914000000000, 0.0010944800000000, -0.0015819600000000 ] - [ 0.0007641300000000, -0.0009217300000000, -0.0015772000000000 ] - [ 0.0000226100000000, -0.0001284500000000, 0.0010755300000000 ] - [ 0.0004412400000000, -0.0003127800000000, -0.0004959100000000 ] - [ -0.0003438400000000, 0.0000568800000000, -0.0005055600000000 ] - [ -0.0000052800000000, -0.0011079500000000, 0.0774144800000000 ] - [ 0.0000068800000000, -0.0064479400000000, -0.0007667000000000 ] - [ -0.0000192000000000, 0.0063620900000000, -0.0007658200000000 ] - [ -0.0000123200000000, 0.0000181400000000, -0.0007584700000000 ] - [ -0.0000225700000000, 0.0009234700000000, 0.0000532100000000 ] - [ 0.0000092500000000, -0.0009094100000000, 0.0000505700000000 ] - [ 0.0014854000000000, 0.0019061800000000, 0.0001139300000000 ] - [ -0.0000080200000000, 0.0000081100000000, -0.0001174900000000 ] - [ -0.0014895300000000, -0.0018781500000000, 0.0001149400000000 ] - [ -0.0000959000000000, -0.0003945600000000, -0.0000383200000000 ] - [ -0.0000515500000000, -0.0009233800000000, 0.0001296100000000 ] - [ -0.0001403400000000, 0.0001703800000000, 0.0001347800000000 ] - [ 0.0003734600000000, 0.0001252400000000, -0.0014709500000000 ] - [ -0.0001285500000000, -0.0000680400000000, 0.0005927500000000 ] - [ 0.0008627900000000, 0.0003161900000000, 0.0005917400000000 ] - [ -0.0002776400000000, 0.0002657400000000, -0.0016565200000000 ] - [ 0.0001295900000000, 0.0000045800000000, 0.0004663600000000 ] - [ -0.0006991200000000, 0.0005294000000000, 0.0004668100000000 ] - [ -0.0002121100000000, 0.0021869500000000, -0.0489951100000000 ] - [ -0.0005853500000000, 0.0035592100000000, 0.0058784000000000 ] - [ -0.0005079400000000, -0.0024166700000000, 0.0057870300000000 ] - [ -0.0002770500000000, -0.0009208700000000, -0.0257074500000000 ] - [ 0.0009778100000000, 0.0009464200000000, 0.0000723400000000 ] - [ -0.0013450800000000, -0.0023626100000000, 0.0000849300000000 ] - [ 0.0001554900000000, -0.0032440600000000, 0.0002853400000000 ] - [ 0.0003011900000000, -0.0002601800000000, 0.0008512300000000 ] - [ 0.0004497100000000, 0.0027015300000000, 0.0002866600000000 ] - [ -0.0003252000000000, -0.0014716700000000, -0.0004430100000000 ] - [ -0.0003742000000000, -0.0001388100000000, 0.0005213000000000 ] - [ -0.0004176200000000, 0.0011860400000000, -0.0004311300000000 ] - [ -0.0007301900000000, -0.0005830400000000, -0.0002887300000000 ] - [ 0.0000768300000000, 0.0003888400000000, 0.0006442600000000 ] - [ 0.0008689100000000, 0.0013478000000000, -0.0002804700000000 ] - [ 0.0008455500000000, 0.0000054800000000, -0.0257072900000000 ] - [ -0.0004408300000000, 0.0017830000000000, 0.0000718400000000 ] - [ 0.0019258600000000, -0.0013586600000000, 0.0000854100000000 ]- atom: 43 displacement: [ 0.0100000000000000, -0.0000000000120628, 0.0000000000000000 ] forces: - [ 0.0048720000000000, -0.0006006100000000, 0.0000000000000000 ] - [ -0.0004384100000000, 0.0009403400000000, -0.0011430300000000 ] - [ -0.0004384100000000, 0.0009403400000000, 0.0011430300000000 ] - [ -0.0009323500000000, 0.0043059900000000, 0.0000000000000000 ] - [ -0.0003983000000000, 0.0004378600000000, 0.0004839200000000 ] - [ -0.0003983000000000, 0.0004378600000000, -0.0004839200000000 ] - [ -0.0016183800000000, -0.0055026100000000, 0.0000000000000000 ] - [ 0.0001255600000000, -0.0011939400000000, 0.0003003100000000 ] - [ 0.0001255600000000, -0.0011939400000000, -0.0003003100000000 ] - [ -0.0043781000000000, -0.0003645900000000, -0.0061727600000000 ] - [ -0.0043781000000000, -0.0003645900000000, 0.0061727600000000 ] - [ -0.0004398700000000, 0.0000279600000000, 0.0000000000000000 ] - [ 0.0041234000000000, -0.0018238300000000, 0.0027827700000000 ] - [ 0.0041234000000000, -0.0018238300000000, -0.0027827700000000 ] - [ 0.0001952700000000, -0.0000871300000000, 0.0000000000000000 ] - [ 0.0020711000000000, -0.0002691100000000, -0.0021580500000000 ] - [ 0.0020711000000000, -0.0002691100000000, 0.0021580500000000 ] - [ 0.0001348700000000, -0.0001853500000000, 0.0000000000000000 ] - [ -0.0044088600000000, -0.0016888800000000, 0.0004194000000000 ] - [ -0.0044088600000000, -0.0016888800000000, -0.0004194000000000 ] - [ -0.0004892600000000, -0.0002628100000000, 0.0000000000000000 ] - [ -0.0062498600000000, -0.0005116700000000, 0.0000543200000000 ] - [ -0.0062498600000000, -0.0005116700000000, -0.0000543200000000 ] - [ -0.0006701000000000, -0.0000558400000000, 0.0000000000000000 ] - [ 0.2168173000000000, 0.1193786900000000, 0.0000000000000000 ] - [ 0.0050977300000000, 0.0025886400000000, 0.0004398800000000 ] - [ 0.0050977300000000, 0.0025886400000000, -0.0004398800000000 ] - [ 0.0039639200000000, -0.0005956500000000, -0.0003959300000000 ] - [ 0.0039639200000000, -0.0005956500000000, 0.0003959300000000 ] - [ 0.0001907900000000, -0.0003991900000000, 0.0000000000000000 ] - [ 0.0033922700000000, 0.0016432600000000, 0.0011863000000000 ] - [ 0.0033922700000000, 0.0016432600000000, -0.0011863000000000 ] - [ 0.0006864200000000, 0.0002723700000000, 0.0000000000000000 ] - [ 0.0043866600000000, 0.0021436400000000, -0.0022114200000000 ] - [ 0.0043866600000000, 0.0021436400000000, 0.0022114200000000 ] - [ 0.0000593000000000, 0.0003144000000000, 0.0000000000000000 ] - [ -0.0007962300000000, 0.0013731200000000, -0.0001317400000000 ] - [ -0.0007962300000000, 0.0013731200000000, 0.0001317400000000 ] - [ -0.0005628200000000, 0.0007561100000000, 0.0000000000000000 ] - [ 0.0030272600000000, 0.0015663500000000, 0.0011212500000000 ] - [ 0.0030272600000000, 0.0015663500000000, -0.0011212500000000 ] - [ 0.0001206200000000, -0.0004994800000000, 0.0000000000000000 ] - [ -0.3053653500000000, -0.1827413700000000, 0.0000000000000000 ] - [ -0.0026530500000000, -0.0020947700000000, 0.0023220100000000 ] - [ -0.0026530500000000, -0.0020947700000000, -0.0023220100000000 ] - [ -0.0182189600000000, 0.0281970800000000, 0.0000000000000000 ] - [ -0.0010994700000000, -0.0010324100000000, -0.0007429900000000 ] - [ -0.0010994700000000, -0.0010324100000000, 0.0007429900000000 ] - [ 0.0921415600000000, 0.0360086200000000, 0.0000000000000000 ] - [ -0.0022236100000000, 0.0003771700000000, -0.0019582600000000 ] - [ -0.0022236100000000, 0.0003771700000000, 0.0019582600000000 ] - [ 0.0025554400000000, -0.0010237200000000, -0.0004427800000000 ] - [ 0.0025554400000000, -0.0010237200000000, 0.0004427800000000 ] - [ 0.0008840500000000, 0.0001295700000000, 0.0000000000000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000120628, 0.0000000000000000 ] forces: - [ -0.0037118200000000, 0.0010146400000000, 0.0000000000000000 ] - [ 0.0010148700000000, -0.0002378800000000, 0.0011319300000000 ] - [ 0.0010148700000000, -0.0002378800000000, -0.0011319300000000 ] - [ -0.0000164700000000, -0.0041608400000000, 0.0000000000000000 ] - [ -0.0004997900000000, -0.0002957000000000, -0.0004827700000000 ] - [ -0.0004997900000000, -0.0002957000000000, 0.0004827700000000 ] - [ 0.0019238400000000, 0.0046744100000000, 0.0000000000000000 ] - [ 0.0001959500000000, 0.0003591600000000, -0.0003018700000000 ] - [ 0.0001959500000000, 0.0003591600000000, 0.0003018700000000 ] - [ 0.0041464800000000, 0.0003401400000000, 0.0062197900000000 ] - [ 0.0041464800000000, 0.0003401400000000, -0.0062197900000000 ] - [ 0.0002000700000000, -0.0000568100000000, 0.0000000000000000 ] - [ -0.0038732600000000, 0.0020119600000000, -0.0027997200000000 ] - [ -0.0038732600000000, 0.0020119600000000, 0.0027997200000000 ] - [ -0.0000105100000000, 0.0002531500000000, 0.0000000000000000 ] - [ -0.0019669800000000, 0.0000117900000000, 0.0021407600000000 ] - [ -0.0019669800000000, 0.0000117900000000, -0.0021407600000000 ] - [ -0.0000481300000000, -0.0000647000000000, 0.0000000000000000 ] - [ 0.0044135600000000, 0.0017677100000000, -0.0004148000000000 ] - [ 0.0044135600000000, 0.0017677100000000, 0.0004148000000000 ] - [ 0.0004758600000000, 0.0002809400000000, 0.0000000000000000 ] - [ 0.0062250200000000, 0.0004604900000000, -0.0000537600000000 ] - [ 0.0062250200000000, 0.0004604900000000, 0.0000537600000000 ] - [ 0.0006584500000000, 0.0000501800000000, 0.0000000000000000 ] - [ -0.2263101700000000, -0.1308957200000000, 0.0000000000000000 ] - [ -0.0051519600000000, -0.0026053900000000, -0.0004283300000000 ] - [ -0.0051519600000000, -0.0026053900000000, 0.0004283300000000 ] - [ -0.0041526800000000, -0.0001267400000000, 0.0003764500000000 ] - [ -0.0041526800000000, -0.0001267400000000, -0.0003764500000000 ] - [ -0.0003819100000000, -0.0003496100000000, 0.0000000000000000 ] - [ -0.0026353500000000, -0.0013629200000000, -0.0011832000000000 ] - [ -0.0026353500000000, -0.0013629200000000, 0.0011832000000000 ] - [ 0.0000592500000000, -0.0000147600000000, 0.0000000000000000 ] - [ -0.0049663500000000, -0.0015740000000000, 0.0021926100000000 ] - [ -0.0049663500000000, -0.0015740000000000, -0.0021926100000000 ] - [ -0.0006441300000000, 0.0002271100000000, 0.0000000000000000 ] - [ -0.0002924100000000, -0.0003606600000000, 0.0001560900000000 ] - [ -0.0002924100000000, -0.0003606600000000, -0.0001560900000000 ] - [ -0.0005288600000000, 0.0003294600000000, 0.0000000000000000 ] - [ -0.0034256100000000, -0.0030358100000000, -0.0011385300000000 ] - [ -0.0034256100000000, -0.0030358100000000, 0.0011385300000000 ] - [ -0.0004935400000000, -0.0009379700000000, 0.0000000000000000 ] - [ 0.3168439700000000, 0.1947436900000000, 0.0000000000000000 ] - [ 0.0032650200000000, 0.0015968400000000, -0.0023490300000000 ] - [ 0.0032650200000000, 0.0015968400000000, 0.0023490300000000 ] - [ 0.0179129700000000, -0.0281243600000000, 0.0000000000000000 ] - [ 0.0003545300000000, 0.0007657900000000, 0.0007417900000000 ] - [ 0.0003545300000000, 0.0007657900000000, -0.0007417900000000 ] - [ -0.0945137800000000, -0.0362893600000000, 0.0000000000000000 ] - [ 0.0023931100000000, 0.0004051800000000, 0.0019668900000000 ] - [ 0.0023931100000000, 0.0004051800000000, -0.0019668900000000 ] - [ -0.0010559600000000, 0.0014029900000000, 0.0004330400000000 ] - [ -0.0010559600000000, 0.0014029900000000, -0.0004330400000000 ] - [ 0.0006085600000000, 0.0002746300000000, 0.0000000000000000 ]- atom: 43 displacement: [ -0.0049999999900890, 0.0086602540435665, 0.0000000000000000 ] forces: - [ -0.0051962200000000, 0.0054044400000000, 0.0000000000000000 ] - [ 0.0005218200000000, 0.0004586500000000, 0.0004383700000000 ] - [ 0.0005218200000000, 0.0004586500000000, -0.0004383700000000 ] - [ 0.0043592500000000, -0.0027792100000000, 0.0000000000000000 ] - [ 0.0000729800000000, -0.0000651300000000, -0.0004279400000000 ] - [ 0.0000729800000000, -0.0000651300000000, 0.0004279400000000 ] - [ -0.0030530300000000, -0.0019574800000000, 0.0000000000000000 ] - [ -0.0003703900000000, -0.0006937800000000, 0.0002493300000000 ] - [ -0.0003703900000000, -0.0006937800000000, -0.0002493300000000 ] - [ -0.0000836700000000, 0.0001571100000000, 0.0007310400000000 ] - [ -0.0000836700000000, 0.0001571100000000, -0.0007310400000000 ] - [ -0.0001298100000000, -0.0000270600000000, 0.0000000000000000 ] - [ -0.0019454700000000, 0.0033066500000000, -0.0015131100000000 ] - [ -0.0019454700000000, 0.0033066500000000, 0.0015131100000000 ] - [ 0.0000141800000000, 0.0001563900000000, 0.0000000000000000 ] - [ 0.0022190300000000, -0.0022436800000000, -0.0038554300000000 ] - [ 0.0022190300000000, -0.0022436800000000, 0.0038554300000000 ] - [ 0.0002073900000000, -0.0002472400000000, 0.0000000000000000 ] - [ 0.0022670000000000, -0.0066797600000000, -0.0005677800000000 ] - [ 0.0022670000000000, -0.0066797600000000, 0.0005677800000000 ] - [ 0.0002396000000000, -0.0006545600000000, 0.0000000000000000 ] - [ -0.0020051700000000, -0.0001193300000000, -0.0000548600000000 ] - [ -0.0020051700000000, -0.0001193300000000, 0.0000548600000000 ] - [ -0.0002241300000000, -0.0000192300000000, 0.0000000000000000 ] - [ -0.0038296100000000, 0.1224918900000000, 0.0000000000000000 ] - [ -0.0003702200000000, 0.0030158900000000, 0.0001053900000000 ] - [ -0.0003702200000000, 0.0030158900000000, -0.0001053900000000 ] - [ -0.0002589800000000, -0.0004331200000000, 0.0000060000000000 ] - [ -0.0002589800000000, -0.0004331200000000, -0.0000060000000000 ] - [ -0.0000739100000000, -0.0003663300000000, 0.0000000000000000 ] - [ 0.0006597100000000, 0.0015292100000000, 0.0005754700000000 ] - [ 0.0006597100000000, 0.0015292100000000, -0.0005754700000000 ] - [ 0.0003966700000000, 0.0002506500000000, 0.0000000000000000 ] - [ 0.0018396200000000, 0.0011907500000000, -0.0002857500000000 ] - [ 0.0018396200000000, 0.0011907500000000, 0.0002857500000000 ] - [ -0.0001270300000000, 0.0002876100000000, 0.0000000000000000 ] - [ -0.0016701800000000, 0.0076363100000000, -0.0025200400000000 ] - [ -0.0016701800000000, 0.0076363100000000, 0.0025200400000000 ] - [ -0.0005994400000000, 0.0008901000000000, 0.0000000000000000 ] - [ 0.0002593700000000, 0.0006978100000000, 0.0000485500000000 ] - [ 0.0002593700000000, 0.0006978100000000, -0.0000485500000000 ] - [ -0.0001599900000000, -0.0005850600000000, 0.0000000000000000 ] - [ -0.0072599100000000, -0.1687983700000000, 0.0000000000000000 ] - [ 0.0001807800000000, -0.0017363800000000, 0.0006208600000000 ] - [ 0.0001807800000000, -0.0017363800000000, -0.0006208600000000 ] - [ 0.0413270100000000, 0.0650626900000000, 0.0000000000000000 ] - [ -0.0000604900000000, -0.0016640100000000, -0.0013623000000000 ] - [ -0.0000604900000000, -0.0016640100000000, 0.0013623000000000 ] - [ -0.0237807700000000, -0.0344021900000000, 0.0000000000000000 ] - [ 0.0004831300000000, -0.0002114600000000, 0.0002912200000000 ] - [ 0.0004831300000000, -0.0002114600000000, -0.0002912200000000 ] - [ -0.0030220200000000, 0.0032910700000000, 0.0012356300000000 ] - [ -0.0030220200000000, 0.0032910700000000, -0.0012356300000000 ] - [ 0.0004561000000000, 0.0004193800000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0049999999900890, -0.0086602540435665, 0.0000000000000000 ] forces: - [ 0.0061653100000000, -0.0048172500000000, 0.0000000000000000 ] - [ 0.0000534900000000, 0.0002376100000000, -0.0004381300000000 ] - [ 0.0000534900000000, 0.0002376100000000, 0.0004381300000000 ] - [ -0.0052193400000000, 0.0029429600000000, 0.0000000000000000 ] - [ -0.0009605400000000, 0.0002130900000000, 0.0004263800000000 ] - [ -0.0009605400000000, 0.0002130900000000, -0.0004263800000000 ] - [ 0.0033514400000000, 0.0010811800000000, 0.0000000000000000 ] - [ 0.0006861800000000, -0.0001471300000000, -0.0002516700000000 ] - [ 0.0006861800000000, -0.0001471300000000, 0.0002516700000000 ] - [ -0.0001835000000000, -0.0001955900000000, -0.0007769200000000 ] - [ -0.0001835000000000, -0.0001955900000000, 0.0007769200000000 ] - [ -0.0001056000000000, -0.0000006600000000, 0.0000000000000000 ] - [ 0.0022012000000000, -0.0031052900000000, 0.0014166300000000 ] - [ 0.0022012000000000, -0.0031052900000000, -0.0014166300000000 ] - [ 0.0001673600000000, 0.0000073400000000, 0.0000000000000000 ] - [ -0.0021263100000000, 0.0019835700000000, 0.0038444200000000 ] - [ -0.0021263100000000, 0.0019835700000000, -0.0038444200000000 ] - [ -0.0001208500000000, -0.0000011900000000, 0.0000000000000000 ] - [ -0.0022927000000000, 0.0066411700000000, 0.0005614000000000 ] - [ -0.0022927000000000, 0.0066411700000000, -0.0005614000000000 ] - [ -0.0002581800000000, 0.0006580000000000, 0.0000000000000000 ] - [ 0.0019433000000000, 0.0001542400000000, 0.0000542400000000 ] - [ 0.0019433000000000, 0.0001542400000000, -0.0000542400000000 ] - [ 0.0002057400000000, 0.0000226800000000, 0.0000000000000000 ] - [ 0.0031702500000000, -0.1221181500000000, 0.0000000000000000 ] - [ 0.0003654400000000, -0.0030056900000000, -0.0001018700000000 ] - [ 0.0003654400000000, -0.0030056900000000, 0.0001018700000000 ] - [ 0.0000832600000000, -0.0003391000000000, 0.0000002100000000 ] - [ 0.0000832600000000, -0.0003391000000000, -0.0000002100000000 ] - [ -0.0001169300000000, -0.0003870900000000, 0.0000000000000000 ] - [ 0.0001009500000000, -0.0012758200000000, -0.0005721000000000 ] - [ 0.0001009500000000, -0.0012758200000000, 0.0005721000000000 ] - [ 0.0003495800000000, 0.0000049300000000, 0.0000000000000000 ] - [ -0.0023767100000000, -0.0006496000000000, 0.0002578500000000 ] - [ -0.0023767100000000, -0.0006496000000000, -0.0002578500000000 ] - [ -0.0004518700000000, 0.0002515400000000, 0.0000000000000000 ] - [ 0.0005723900000000, -0.0064723900000000, 0.0024830700000000 ] - [ 0.0005723900000000, -0.0064723900000000, -0.0024830700000000 ] - [ -0.0004936400000000, 0.0002062900000000, 0.0000000000000000 ] - [ -0.0006130100000000, -0.0021058600000000, -0.0000424300000000 ] - [ -0.0006130100000000, -0.0021058600000000, 0.0000424300000000 ] - [ -0.0002118700000000, -0.0008483300000000, 0.0000000000000000 ] - [ 0.0084294000000000, 0.1689321500000000, 0.0000000000000000 ] - [ 0.0004186700000000, 0.0012165700000000, -0.0006214000000000 ] - [ 0.0004186700000000, 0.0012165700000000, 0.0006214000000000 ] - [ -0.0429124800000000, -0.0663371300000000, 0.0000000000000000 ] - [ -0.0006907900000000, 0.0013940300000000, 0.0013584600000000 ] - [ -0.0006907900000000, 0.0013940300000000, -0.0013584600000000 ] - [ 0.0243149700000000, 0.0350898800000000, 0.0000000000000000 ] - [ -0.0003382900000000, 0.0009915600000000, -0.0003017000000000 ] - [ -0.0003382900000000, 0.0009915600000000, 0.0003017000000000 ] - [ 0.0045056400000000, -0.0028715800000000, -0.0012332800000000 ] - [ 0.0045056400000000, -0.0028715800000000, 0.0012332800000000 ] - [ 0.0010393800000000, -0.0000147600000000, 0.0000000000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002611100000000, 0.0003664900000000, 0.0039795700000000 ] - [ -0.0007655800000000, 0.0007657000000000, -0.0015158900000000 ] - [ 0.0013131700000000, -0.0000543600000000, -0.0015132800000000 ] - [ -0.0004433800000000, 0.0000743800000000, 0.0025486900000000 ] - [ 0.0001029200000000, -0.0003119800000000, -0.0009150900000000 ] - [ -0.0009867800000000, 0.0004364600000000, -0.0009200800000000 ] - [ 0.0001510200000000, -0.0004363000000000, 0.0008011300000000 ] - [ 0.0001368900000000, -0.0005415800000000, -0.0005228900000000 ] - [ 0.0001929700000000, -0.0002929200000000, -0.0005334900000000 ] - [ 0.0000265900000000, -0.0003953700000000, 0.0009510300000000 ] - [ -0.0002756500000000, 0.0003728000000000, 0.0010049200000000 ] - [ -0.0001107800000000, -0.0000119600000000, -0.0011599000000000 ] - [ 0.0002819800000000, -0.0009287000000000, 0.0074647900000000 ] - [ -0.0000026800000000, 0.0014613200000000, 0.0079501600000000 ] - [ 0.0000882700000000, 0.0000734500000000, -0.0021154200000000 ] - [ -0.0007913100000000, -0.0013092600000000, 0.0005912500000000 ] - [ 0.0008938800000000, 0.0010684900000000, 0.0006363700000000 ] - [ 0.0000398000000000, -0.0001202700000000, -0.0012009700000000 ] - [ 0.0013679400000000, 0.0028050700000000, 0.0004505000000000 ] - [ -0.0014029000000000, -0.0028295500000000, 0.0004456700000000 ] - [ -0.0000099700000000, 0.0000005100000000, -0.0000571500000000 ] - [ 0.0021494500000000, 0.0000967300000000, 0.0000932700000000 ] - [ -0.0021920600000000, -0.0001011400000000, 0.0000927200000000 ] - [ -0.0000100400000000, -0.0000007300000000, -0.0001991200000000 ] - [ 0.0008149900000000, 0.0008138600000000, 0.0835360300000000 ] - [ 0.0048279500000000, 0.0048493200000000, -0.0009328800000000 ] - [ -0.0047742000000000, -0.0047748800000000, -0.0009309100000000 ] - [ -0.0013897500000000, -0.0002729800000000, -0.0001894600000000 ] - [ 0.0012190500000000, -0.0004815000000000, -0.0001978600000000 ] - [ -0.0000942100000000, -0.0003758200000000, 0.0006754600000000 ] - [ -0.0005803900000000, -0.0005597600000000, -0.0004051400000000 ] - [ 0.0013378900000000, 0.0008280000000000, -0.0004178000000000 ] - [ 0.0003741900000000, 0.0001286100000000, 0.0005126000000000 ] - [ -0.0025490100000000, -0.0010106500000000, 0.0000786100000000 ] - [ 0.0019936700000000, 0.0015641600000000, 0.0000747000000000 ] - [ -0.0002882700000000, 0.0002710400000000, 0.0007983000000000 ] - [ -0.0000613200000000, -0.0031754100000000, 0.0002870900000000 ] - [ -0.0010345400000000, 0.0042968500000000, 0.0002836200000000 ] - [ -0.0005462500000000, 0.0005475100000000, 0.0008516000000000 ] - [ -0.0017228000000000, -0.0020955300000000, -0.0004305300000000 ] - [ 0.0013794500000000, 0.0006839500000000, -0.0004444000000000 ] - [ -0.0001823800000000, -0.0007164100000000, 0.0005215300000000 ] - [ -0.0009249500000000, -0.0017996400000000, -0.0579473800000000 ] - [ -0.0020495100000000, -0.0023356700000000, 0.0064711200000000 ] - [ 0.0026244500000000, 0.0017960900000000, 0.0063818700000000 ] - [ -0.0002748700000000, 0.0000686000000000, -0.0279699900000000 ] - [ -0.0006728500000000, -0.0022471300000000, 0.0002256700000000 ] - [ -0.0000812500000000, 0.0019442600000000, 0.0002407600000000 ] - [ 0.0002797100000000, 0.0004788300000000, -0.0279705900000000 ] - [ -0.0020437800000000, 0.0000303500000000, 0.0002251600000000 ] - [ 0.0021634200000000, 0.0007446700000000, 0.0002409200000000 ] - [ 0.0004106100000000, -0.0001577000000000, -0.0002803500000000 ] - [ 0.0010824000000000, 0.0005675000000000, -0.0002891400000000 ] - [ 0.0007476700000000, 0.0002022300000000, 0.0006445800000000 ]