# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c59f1da3-d5ad-4988-960a-97a8eb9eb1e5/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 Pt(PbO2)2 / Pbam (55) / materials id 29332](https://mdr.nims.go.jp/datasets/b770afa6-424c-4920-8616-636848bad94e) ## 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: "Pbam" number: 55 Hall_symbol: "-P 2 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.002209140000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.455704890000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.417876270000000 ] # c points: - symbol: O # 1 coordinates: [ 0.634233720000000, 0.587405950000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.365766280000000, 0.412594050000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.134233720000000, 0.912594050000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.865766280000000, 0.087405950000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.646323310000000, 0.579172710000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.353676690000000, 0.420827290000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.146323310000000, 0.920827290000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.853676690000000, 0.079172710000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.345248150000000, 0.679536440000000, 0.746451220000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.654751850000000, 0.320463560000000, 0.746451220000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.845248150000000, 0.820463560000000, 0.253548780000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.154751850000000, 0.179536440000000, 0.253548780000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.845248150000000, 0.820463560000000, 0.746451220000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.154751850000000, 0.179536440000000, 0.746451220000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.345248150000000, 0.679536440000000, 0.253548780000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.654751850000000, 0.320463560000000, 0.253548780000000 ] mass: 15.999400 - symbol: Pt # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.748461640000000 ] mass: 195.084000 - symbol: Pt # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.251538360000000 ] mass: 195.084000 - symbol: Pt # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.251538360000000 ] mass: 195.084000 - symbol: Pt # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.748461640000000 ] mass: 195.084000 - symbol: Pb # 21 coordinates: [ 0.107258240000000, 0.672152760000000, 0.500000000000000 ] mass: 207.200000 - symbol: Pb # 22 coordinates: [ 0.892741760000000, 0.327847240000000, 0.500000000000000 ] mass: 207.200000 - symbol: Pb # 23 coordinates: [ 0.607258240000000, 0.827847240000000, 0.500000000000000 ] mass: 207.200000 - symbol: Pb # 24 coordinates: [ 0.392741760000000, 0.172152760000000, 0.500000000000000 ] mass: 207.200000 - symbol: Pb # 25 coordinates: [ 0.544229070000000, 0.179090650000000, 0.000000000000000 ] mass: 207.200000 - symbol: Pb # 26 coordinates: [ 0.455770930000000, 0.820909350000000, 0.000000000000000 ] mass: 207.200000 - symbol: Pb # 27 coordinates: [ 0.044229070000000, 0.320909350000000, 0.000000000000000 ] mass: 207.200000 - symbol: Pb # 28 coordinates: [ 0.955770930000000, 0.679090650000000, 0.000000000000000 ] mass: 207.200000 reciprocal_lattice: # without 2pi - [ 0.142812072591137, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.105756261604311, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.155814783260071 ] # c*unit_cell: lattice: - [ 7.002209140000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.455704890000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.417876270000000 ] # c points: - symbol: O # 1 coordinates: [ 0.634233720000000, 0.587405950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.365766280000000, 0.412594050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.134233720000000, 0.912594050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.865766280000000, 0.087405950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.646323310000000, 0.579172710000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.353676690000000, 0.420827290000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.146323310000000, 0.920827290000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.853676690000000, 0.079172710000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.345248150000000, 0.679536440000000, 0.746451220000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.654751850000000, 0.320463560000000, 0.746451220000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.845248150000000, 0.820463560000000, 0.253548780000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.154751850000000, 0.179536440000000, 0.253548780000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.845248150000000, 0.820463560000000, 0.746451220000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.154751850000000, 0.179536440000000, 0.746451220000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.345248150000000, 0.679536440000000, 0.253548780000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.654751850000000, 0.320463560000000, 0.253548780000000 ] mass: 15.999400 reduced_to: 16 - symbol: Pt # 17 coordinates: [ 0.500000000000000, 0.500000000000000, 0.748461640000000 ] mass: 195.084000 reduced_to: 17 - symbol: Pt # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.251538360000000 ] mass: 195.084000 reduced_to: 18 - symbol: Pt # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.251538360000000 ] mass: 195.084000 reduced_to: 19 - symbol: Pt # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.748461640000000 ] mass: 195.084000 reduced_to: 20 - symbol: Pb # 21 coordinates: [ 0.107258240000000, 0.672152760000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 21 - symbol: Pb # 22 coordinates: [ 0.892741760000000, 0.327847240000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 22 - symbol: Pb # 23 coordinates: [ 0.607258240000000, 0.827847240000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 23 - symbol: Pb # 24 coordinates: [ 0.392741760000000, 0.172152760000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 24 - symbol: Pb # 25 coordinates: [ 0.544229070000000, 0.179090650000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 26 coordinates: [ 0.455770930000000, 0.820909350000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 26 - symbol: Pb # 27 coordinates: [ 0.044229070000000, 0.320909350000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 28 coordinates: [ 0.955770930000000, 0.679090650000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 28supercell: lattice: - [ 14.004418279999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.455704890000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.835752540000000 ] # c points: - symbol: O # 1 coordinates: [ 0.317116860000000, 0.587405950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.817116860000000, 0.587405950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.317116860000000, 0.587405950000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.817116860000000, 0.587405950000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.182883140000000, 0.412594050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.682883140000000, 0.412594050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.182883140000000, 0.412594050000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.682883140000000, 0.412594050000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.067116860000000, 0.912594050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.567116860000000, 0.912594050000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.067116860000000, 0.912594050000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.567116860000000, 0.912594050000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.432883140000000, 0.087405950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.932883140000000, 0.087405950000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.432883140000000, 0.087405950000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.932883140000000, 0.087405950000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.323161655000000, 0.579172710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.823161655000000, 0.579172710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.323161655000000, 0.579172710000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.823161655000000, 0.579172710000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.176838345000000, 0.420827290000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.676838345000000, 0.420827290000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.176838345000000, 0.420827290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.676838345000000, 0.420827290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.073161655000000, 0.920827290000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.573161655000000, 0.920827290000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.073161655000000, 0.920827290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.573161655000000, 0.920827290000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.426838345000000, 0.079172710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.926838345000000, 0.079172710000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.426838345000000, 0.079172710000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.926838345000000, 0.079172710000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.172624075000000, 0.679536440000000, 0.373225610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.672624075000000, 0.679536440000000, 0.373225610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.172624075000000, 0.679536440000000, 0.873225610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.672624075000000, 0.679536440000000, 0.873225610000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.327375925000000, 0.320463560000000, 0.373225610000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.827375925000000, 0.320463560000000, 0.373225610000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.327375925000000, 0.320463560000000, 0.873225610000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.827375925000000, 0.320463560000000, 0.873225610000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.422624075000000, 0.820463560000000, 0.126774390000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.922624075000000, 0.820463560000000, 0.126774390000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.422624075000000, 0.820463560000000, 0.626774390000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.922624075000000, 0.820463560000000, 0.626774390000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.077375925000000, 0.179536440000000, 0.126774390000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.577375925000000, 0.179536440000000, 0.126774390000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.077375925000000, 0.179536440000000, 0.626774390000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.577375925000000, 0.179536440000000, 0.626774390000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.422624075000000, 0.820463560000000, 0.373225610000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.922624075000000, 0.820463560000000, 0.373225610000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.422624075000000, 0.820463560000000, 0.873225610000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.922624075000000, 0.820463560000000, 0.873225610000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.077375925000000, 0.179536440000000, 0.373225610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.577375925000000, 0.179536440000000, 0.373225610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.077375925000000, 0.179536440000000, 0.873225610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.577375925000000, 0.179536440000000, 0.873225610000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.172624075000000, 0.679536440000000, 0.126774390000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.672624075000000, 0.679536440000000, 0.126774390000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.172624075000000, 0.679536440000000, 0.626774390000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.672624075000000, 0.679536440000000, 0.626774390000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.327375925000000, 0.320463560000000, 0.126774390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.827375925000000, 0.320463560000000, 0.126774390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.327375925000000, 0.320463560000000, 0.626774390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.827375925000000, 0.320463560000000, 0.626774390000000 ] mass: 15.999400 reduced_to: 61 - symbol: Pt # 65 coordinates: [ 0.250000000000000, 0.500000000000000, 0.374230820000000 ] mass: 195.084000 reduced_to: 65 - symbol: Pt # 66 coordinates: [ 0.750000000000000, 0.500000000000000, 0.374230820000000 ] mass: 195.084000 reduced_to: 65 - symbol: Pt # 67 coordinates: [ 0.250000000000000, 0.500000000000000, 0.874230820000000 ] mass: 195.084000 reduced_to: 65 - symbol: Pt # 68 coordinates: [ 0.750000000000000, 0.500000000000000, 0.874230820000000 ] mass: 195.084000 reduced_to: 65 - symbol: Pt # 69 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125769180000000 ] mass: 195.084000 reduced_to: 69 - symbol: Pt # 70 coordinates: [ 0.500000000000000, 0.000000000000000, 0.125769180000000 ] mass: 195.084000 reduced_to: 69 - symbol: Pt # 71 coordinates: [ 0.000000000000000, 0.000000000000000, 0.625769180000000 ] mass: 195.084000 reduced_to: 69 - symbol: Pt # 72 coordinates: [ 0.500000000000000, 0.000000000000000, 0.625769180000000 ] mass: 195.084000 reduced_to: 69 - symbol: Pt # 73 coordinates: [ 0.250000000000000, 0.500000000000000, 0.125769180000000 ] mass: 195.084000 reduced_to: 73 - symbol: Pt # 74 coordinates: [ 0.750000000000000, 0.500000000000000, 0.125769180000000 ] mass: 195.084000 reduced_to: 73 - symbol: Pt # 75 coordinates: [ 0.250000000000000, 0.500000000000000, 0.625769180000000 ] mass: 195.084000 reduced_to: 73 - symbol: Pt # 76 coordinates: [ 0.750000000000000, 0.500000000000000, 0.625769180000000 ] mass: 195.084000 reduced_to: 73 - symbol: Pt # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.374230820000000 ] mass: 195.084000 reduced_to: 77 - symbol: Pt # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.374230820000000 ] mass: 195.084000 reduced_to: 77 - symbol: Pt # 79 coordinates: [ 0.000000000000000, 0.000000000000000, 0.874230820000000 ] mass: 195.084000 reduced_to: 77 - symbol: Pt # 80 coordinates: [ 0.500000000000000, 0.000000000000000, 0.874230820000000 ] mass: 195.084000 reduced_to: 77 - symbol: Pb # 81 coordinates: [ 0.053629120000000, 0.672152760000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 81 - symbol: Pb # 82 coordinates: [ 0.553629120000000, 0.672152760000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 81 - symbol: Pb # 83 coordinates: [ 0.053629120000000, 0.672152760000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 81 - symbol: Pb # 84 coordinates: [ 0.553629120000000, 0.672152760000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 81 - symbol: Pb # 85 coordinates: [ 0.446370880000000, 0.327847240000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 85 - symbol: Pb # 86 coordinates: [ 0.946370880000000, 0.327847240000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 85 - symbol: Pb # 87 coordinates: [ 0.446370880000000, 0.327847240000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 85 - symbol: Pb # 88 coordinates: [ 0.946370880000000, 0.327847240000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 85 - symbol: Pb # 89 coordinates: [ 0.303629120000000, 0.827847240000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 89 - symbol: Pb # 90 coordinates: [ 0.803629120000000, 0.827847240000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 89 - symbol: Pb # 91 coordinates: [ 0.303629120000000, 0.827847240000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 89 - symbol: Pb # 92 coordinates: [ 0.803629120000000, 0.827847240000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 89 - symbol: Pb # 93 coordinates: [ 0.196370880000000, 0.172152760000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 93 - symbol: Pb # 94 coordinates: [ 0.696370880000000, 0.172152760000000, 0.250000000000000 ] mass: 207.200000 reduced_to: 93 - symbol: Pb # 95 coordinates: [ 0.196370880000000, 0.172152760000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 93 - symbol: Pb # 96 coordinates: [ 0.696370880000000, 0.172152760000000, 0.750000000000000 ] mass: 207.200000 reduced_to: 93 - symbol: Pb # 97 coordinates: [ 0.272114535000000, 0.179090650000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 97 - symbol: Pb # 98 coordinates: [ 0.772114535000000, 0.179090650000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 97 - symbol: Pb # 99 coordinates: [ 0.272114535000000, 0.179090650000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 97 - symbol: Pb # 100 coordinates: [ 0.772114535000000, 0.179090650000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 97 - symbol: Pb # 101 coordinates: [ 0.227885465000000, 0.820909350000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 101 - symbol: Pb # 102 coordinates: [ 0.727885465000000, 0.820909350000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 101 - symbol: Pb # 103 coordinates: [ 0.227885465000000, 0.820909350000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 101 - symbol: Pb # 104 coordinates: [ 0.727885465000000, 0.820909350000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 101 - symbol: Pb # 105 coordinates: [ 0.022114535000000, 0.320909350000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 105 - symbol: Pb # 106 coordinates: [ 0.522114535000000, 0.320909350000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 105 - symbol: Pb # 107 coordinates: [ 0.022114535000000, 0.320909350000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 105 - symbol: Pb # 108 coordinates: [ 0.522114535000000, 0.320909350000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 105 - symbol: Pb # 109 coordinates: [ 0.477885465000000, 0.679090650000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 109 - symbol: Pb # 110 coordinates: [ 0.977885465000000, 0.679090650000000, 0.000000000000000 ] mass: 207.200000 reduced_to: 109 - symbol: Pb # 111 coordinates: [ 0.477885465000000, 0.679090650000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 109 - symbol: Pb # 112 coordinates: [ 0.977885465000000, 0.679090650000000, 0.500000000000000 ] mass: 207.200000 reduced_to: 109born_effective_charge:- # 1 (O) - [ -1.738149370000000, -0.378771920000000, 0.000000000000000 ] - [ -0.449496390000000, -1.868519610000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.303742920000000 ]- # 2 (O) - [ -1.738149370000000, -0.378771920000000, 0.000000000000000 ] - [ -0.449496390000000, -1.868519610000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.303742920000000 ]- # 3 (O) - [ -1.738149370000000, 0.378771920000000, 0.000000000000000 ] - [ 0.449496390000000, -1.868519610000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.303742920000000 ]- # 4 (O) - [ -1.738149370000000, 0.378771920000000, 0.000000000000000 ] - [ 0.449496390000000, -1.868519610000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.303742920000000 ]- # 5 (O) - [ -1.011194930000000, -0.294307520000000, 0.000000000000000 ] - [ -0.186732600000000, -2.313276640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.252445000000000 ]- # 6 (O) - [ -1.011194930000000, -0.294307520000000, 0.000000000000000 ] - [ -0.186732600000000, -2.313276640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.252445000000000 ]- # 7 (O) - [ -1.011194930000000, 0.294307520000000, 0.000000000000000 ] - [ 0.186732600000000, -2.313276640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.252445000000000 ]- # 8 (O) - [ -1.011194930000000, 0.294307520000000, 0.000000000000000 ] - [ 0.186732600000000, -2.313276640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.252445000000000 ]- # 9 (O) - [ -2.371859090000000, -0.046841190000000, -0.546683770000000 ] - [ 0.093063400000000, -2.136349480000000, -0.473371730000000 ] - [ -0.683687090000000, -0.565147690000000, -2.339808310000000 ]- # 10 (O) - [ -2.371859090000000, -0.046841190000000, 0.546683770000000 ] - [ 0.093063400000000, -2.136349480000000, 0.473371730000000 ] - [ 0.683687090000000, 0.565147690000000, -2.339808310000000 ]- # 11 (O) - [ -2.371859090000000, 0.046841190000000, 0.546683770000000 ] - [ -0.093063400000000, -2.136349480000000, -0.473371730000000 ] - [ 0.683687090000000, -0.565147690000000, -2.339808310000000 ]- # 12 (O) - [ -2.371859090000000, 0.046841190000000, -0.546683770000000 ] - [ -0.093063400000000, -2.136349480000000, 0.473371730000000 ] - [ -0.683687090000000, 0.565147690000000, -2.339808310000000 ]- # 13 (O) - [ -2.371859090000000, 0.046841190000000, -0.546683770000000 ] - [ -0.093063400000000, -2.136349480000000, 0.473371730000000 ] - [ -0.683687090000000, 0.565147690000000, -2.339808310000000 ]- # 14 (O) - [ -2.371859090000000, 0.046841190000000, 0.546683770000000 ] - [ -0.093063400000000, -2.136349480000000, -0.473371730000000 ] - [ 0.683687090000000, -0.565147690000000, -2.339808310000000 ]- # 15 (O) - [ -2.371859090000000, -0.046841190000000, 0.546683770000000 ] - [ 0.093063400000000, -2.136349480000000, 0.473371730000000 ] - [ 0.683687090000000, 0.565147690000000, -2.339808310000000 ]- # 16 (O) - [ -2.371859090000000, -0.046841190000000, -0.546683770000000 ] - [ 0.093063400000000, -2.136349480000000, -0.473371730000000 ] - [ -0.683687090000000, -0.565147690000000, -2.339808310000000 ]- # 17 (Pt) - [ 0.409877010000000, -0.609260750000000, 0.000000000000000 ] - [ -0.511581340000000, 2.317479630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.640636710000000 ]- # 18 (Pt) - [ 0.409877010000000, 0.609260750000000, 0.000000000000000 ] - [ 0.511581340000000, 2.317479630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.640636710000000 ]- # 19 (Pt) - [ 0.409877010000000, -0.609260750000000, 0.000000000000000 ] - [ -0.511581340000000, 2.317479630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.640636710000000 ]- # 20 (Pt) - [ 0.409877010000000, 0.609260750000000, 0.000000000000000 ] - [ 0.511581340000000, 2.317479630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.640636710000000 ]- # 21 (Pb) - [ 3.821788080000001, -0.838062390000000, 0.000000000000000 ] - [ -0.748636740000000, 2.927457570000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.778350110000000 ]- # 22 (Pb) - [ 3.821788080000001, -0.838062390000000, 0.000000000000000 ] - [ -0.748636740000000, 2.927457570000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.778350110000000 ]- # 23 (Pb) - [ 3.821788080000001, 0.838062390000000, 0.000000000000000 ] - [ 0.748636740000000, 2.927457570000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.778350110000000 ]- # 24 (Pb) - [ 3.821788080000001, 0.838062390000000, 0.000000000000000 ] - [ 0.748636740000000, 2.927457570000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.778350110000000 ]- # 25 (Pb) - [ 3.261397380000000, -0.143065170000000, 0.000000000000000 ] - [ -0.112223130000000, 3.209558010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.816817720000000 ]- # 26 (Pb) - [ 3.261397380000001, -0.143065170000000, 0.000000000000000 ] - [ -0.112223130000000, 3.209558010000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.816817720000000 ]- # 27 (Pb) - [ 3.261397380000001, 0.143065170000000, 0.000000000000000 ] - [ 0.112223130000000, 3.209558010000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.816817720000000 ]- # 28 (Pb) - [ 3.261397380000001, 0.143065170000000, 0.000000000000000 ] - [ 0.112223130000000, 3.209558010000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.816817720000000 ]dielectric_constant: - [ 7.758447990000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 8.649683789999999, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 10.328943830000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1257250400000000, -0.0537386100000000, 0.0000000000000000 ] - [ 0.0038839800000000, -0.0003089200000000, 0.0000000000000000 ] - [ 0.0012832300000000, -0.0023001700000000, 0.0000000000000000 ] - [ 0.0038812900000000, -0.0001096000000000, 0.0000000000000000 ] - [ 0.0079080800000000, 0.0102031700000000, 0.0000000000000000 ] - [ -0.0027662500000000, 0.0000147100000000, 0.0000000000000000 ] - [ -0.0043778700000000, -0.0004015100000000, 0.0000000000000000 ] - [ -0.0038112800000000, 0.0000358000000000, 0.0000000000000000 ] - [ 0.0047539400000000, 0.0004119100000000, 0.0000000000000000 ] - [ 0.0047273400000000, 0.0067355900000000, 0.0000000000000000 ] - [ 0.0038141500000000, 0.0000193400000000, 0.0000000000000000 ] - [ 0.0038133400000000, -0.0002201700000000, 0.0000000000000000 ] - [ -0.0042963300000000, -0.0004067100000000, 0.0000000000000000 ] - [ -0.0034928200000000, -0.0000605400000000, 0.0000000000000000 ] - [ -0.0038971500000000, 0.0000485700000000, 0.0000000000000000 ] - [ -0.0036017600000000, -0.0000138000000000, 0.0000000000000000 ] - [ -0.0023997300000000, -0.0097376800000000, -0.0002884900000000 ] - [ -0.0007707400000000, -0.0086956600000000, 0.0002176600000000 ] - [ -0.0023997300000000, -0.0097376800000000, 0.0002884900000000 ] - [ -0.0007707400000000, -0.0086956600000000, -0.0002176600000000 ] - [ -0.0063689400000000, 0.0116691300000000, -0.0076727700000000 ] - [ 0.0011657900000000, 0.0086150200000000, 0.0001132400000000 ] - [ -0.0063689400000000, 0.0116691300000000, 0.0076727700000000 ] - [ 0.0011657900000000, 0.0086150200000000, -0.0001132400000000 ] - [ -0.0009436300000000, 0.0083393700000000, 0.0000895400000000 ] - [ -0.0010964400000000, 0.0088495200000000, 0.0001046600000000 ] - [ -0.0009436300000000, 0.0083393700000000, -0.0000895400000000 ] - [ -0.0010964400000000, 0.0088495200000000, -0.0001046600000000 ] - [ 0.0007321800000000, -0.0084325100000000, 0.0005683000000000 ] - [ 0.0011096300000000, -0.0086224900000000, -0.0000859000000000 ] - [ 0.0007321800000000, -0.0084325100000000, -0.0005683000000000 ] - [ 0.0011096300000000, -0.0086224900000000, 0.0000859000000000 ] - [ -0.0005918500000000, -0.0071164900000000, -0.0005524400000000 ] - [ -0.0001125700000000, -0.0069392400000000, 0.0000824800000000 ] - [ 0.0036005900000000, -0.0055052200000000, 0.0059612000000000 ] - [ 0.0018119300000000, -0.0070198900000000, -0.0021184400000000 ] - [ 0.0000102600000000, 0.0070369500000000, -0.0004127300000000 ] - [ 0.0007524500000000, 0.0069462600000000, -0.0004859400000000 ] - [ -0.0011803900000000, 0.0062610800000000, -0.0022112700000000 ] - [ 0.0008396600000000, 0.0066918900000000, -0.0007227900000000 ] - [ -0.0008356700000000, 0.0096200200000000, 0.0024615600000000 ] - [ -0.0001841900000000, 0.0069210500000000, 0.0006086300000000 ] - [ -0.0008251500000000, 0.0068149100000000, 0.0002183100000000 ] - [ -0.0000578500000000, 0.0068250300000000, 0.0004445500000000 ] - [ 0.0007603200000000, -0.0065378700000000, 0.0004584100000000 ] - [ 0.0010982200000000, -0.0067969300000000, 0.0011452200000000 ] - [ 0.0005977200000000, -0.0064265800000000, 0.0003605900000000 ] - [ 0.0005343700000000, -0.0069476300000000, 0.0003470300000000 ] - [ -0.0008251500000000, 0.0068149100000000, -0.0002183100000000 ] - [ -0.0000578500000000, 0.0068250300000000, -0.0004445500000000 ] - [ -0.0008356700000000, 0.0096200200000000, -0.0024615600000000 ] - [ -0.0001841900000000, 0.0069210500000000, -0.0006086300000000 ] - [ 0.0005977200000000, -0.0064265800000000, -0.0003605900000000 ] - [ 0.0005343700000000, -0.0069476300000000, -0.0003470300000000 ] - [ 0.0007603200000000, -0.0065378700000000, -0.0004584100000000 ] - [ 0.0010982200000000, -0.0067969300000000, -0.0011452200000000 ] - [ 0.0036005900000000, -0.0055052200000000, -0.0059612000000000 ] - [ 0.0018119300000000, -0.0070198900000000, 0.0021184400000000 ] - [ -0.0005918500000000, -0.0071164900000000, 0.0005524400000000 ] - [ -0.0001125700000000, -0.0069392400000000, -0.0000824800000000 ] - [ -0.0011803900000000, 0.0062610800000000, 0.0022112700000000 ] - [ 0.0008396600000000, 0.0066918900000000, 0.0007227900000000 ] - [ 0.0000102600000000, 0.0070369500000000, 0.0004127300000000 ] - [ 0.0007524500000000, 0.0069462600000000, 0.0004859400000000 ] - [ 0.0018227100000000, 0.0015089200000000, -0.0068137300000000 ] - [ -0.0000734100000000, 0.0002208400000000, -0.0068553100000000 ] - [ 0.0504319300000000, 0.0146742300000000, 0.0092037900000000 ] - [ -0.0003832200000000, 0.0007713000000000, -0.0064241700000000 ] - [ -0.0001560100000000, -0.0000448900000000, 0.0065812000000000 ] - [ 0.0005184900000000, -0.0016779800000000, 0.0057464100000000 ] - [ -0.0000742900000000, -0.0001742400000000, 0.0067051600000000 ] - [ -0.0000761100000000, 0.0000206800000000, 0.0070861100000000 ] - [ 0.0504319300000000, 0.0146742300000000, -0.0092037900000000 ] - [ -0.0003832200000000, 0.0007713000000000, 0.0064241700000000 ] - [ 0.0018227100000000, 0.0015089200000000, 0.0068137300000000 ] - [ -0.0000734100000000, 0.0002208400000000, 0.0068553100000000 ] - [ -0.0000742900000000, -0.0001742400000000, -0.0067051600000000 ] - [ -0.0000761100000000, 0.0000206800000000, -0.0070861100000000 ] - [ -0.0001560100000000, -0.0000448900000000, -0.0065812000000000 ] - [ 0.0005184900000000, -0.0016779800000000, -0.0057464100000000 ] - [ -0.0038768700000000, 0.0003600300000000, 0.0003967800000000 ] - [ -0.0028177100000000, -0.0003340400000000, -0.0018837300000000 ] - [ -0.0038768700000000, 0.0003600300000000, -0.0003967800000000 ] - [ -0.0028177100000000, -0.0003340400000000, 0.0018837300000000 ] - [ 0.0030239900000000, 0.0002492000000000, -0.0007196500000000 ] - [ 0.0019356100000000, 0.0003777300000000, -0.0001430600000000 ] - [ 0.0030239900000000, 0.0002492000000000, 0.0007196500000000 ] - [ 0.0019356100000000, 0.0003777300000000, 0.0001430600000000 ] - [ -0.0009695400000000, 0.0004733600000000, -0.0010170600000000 ] - [ -0.0033917100000000, 0.0001226700000000, -0.0004223700000000 ] - [ -0.0009695400000000, 0.0004733600000000, 0.0010170600000000 ] - [ -0.0033917100000000, 0.0001226700000000, 0.0004223700000000 ] - [ 0.0032403500000000, -0.0025437300000000, -0.0005208400000000 ] - [ 0.0020982800000000, -0.0004247400000000, -0.0004285000000000 ] - [ 0.0032403500000000, -0.0025437300000000, 0.0005208400000000 ] - [ 0.0020982800000000, -0.0004247400000000, 0.0004285000000000 ] - [ -0.0064988200000000, -0.0056474000000000, 0.0000000000000000 ] - [ -0.0081883000000000, -0.0065429300000000, 0.0000000000000000 ] - [ -0.0072909600000000, -0.0069510100000000, 0.0000000000000000 ] - [ -0.0077566900000000, -0.0066810200000000, 0.0000000000000000 ] - [ 0.0101321500000000, 0.0042649400000000, 0.0000000000000000 ] - [ 0.0055819800000000, 0.0062049400000000, 0.0000000000000000 ] - [ 0.0074242800000000, 0.0074521500000000, 0.0000000000000000 ] - [ 0.0073971000000000, 0.0065026800000000, 0.0000000000000000 ] - [ -0.0080399100000000, 0.0067334300000000, 0.0000000000000000 ] - [ -0.0079203300000000, 0.0085125300000000, 0.0000000000000000 ] - [ -0.0078389900000000, 0.0066465400000000, 0.0000000000000000 ] - [ -0.0073306100000000, 0.0063957500000000, 0.0000000000000000 ] - [ 0.0276709800000000, -0.0061127800000000, 0.0000000000000000 ] - [ 0.0069019800000000, -0.0068020900000000, 0.0000000000000000 ] - [ 0.0085743900000000, -0.0060331000000000, 0.0000000000000000 ] - [ 0.0072879700000000, -0.0066344800000000, 0.0000000000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1334992100000000, 0.0544255000000000, 0.0000000000000000 ] - [ 0.0035575600000000, 0.0002122200000000, 0.0000000000000000 ] - [ 0.0061555900000000, 0.0022037800000000, 0.0000000000000000 ] - [ 0.0035566200000000, 0.0000115100000000, 0.0000000000000000 ] - [ -0.0155332300000000, -0.0103855400000000, 0.0000000000000000 ] - [ -0.0046626500000000, 0.0000853700000000, 0.0000000000000000 ] - [ -0.0030530000000000, 0.0005016200000000, 0.0000000000000000 ] - [ -0.0036272400000000, 0.0000601000000000, 0.0000000000000000 ] - [ 0.0027350400000000, -0.0003343900000000, 0.0000000000000000 ] - [ 0.0027089800000000, -0.0065724700000000, 0.0000000000000000 ] - [ 0.0036223700000000, 0.0000789600000000, 0.0000000000000000 ] - [ 0.0036227000000000, 0.0003186400000000, 0.0000000000000000 ] - [ -0.0031475800000000, 0.0003089900000000, 0.0000000000000000 ] - [ -0.0039423000000000, -0.0000325900000000, 0.0000000000000000 ] - [ -0.0035406500000000, -0.0001441700000000, 0.0000000000000000 ] - [ -0.0038329000000000, -0.0000832200000000, 0.0000000000000000 ] - [ 0.0004264700000000, -0.0074128400000000, 0.0003039000000000 ] - [ -0.0012121700000000, -0.0084679600000000, -0.0002176800000000 ] - [ 0.0004264700000000, -0.0074128400000000, -0.0003039000000000 ] - [ -0.0012121700000000, -0.0084679600000000, 0.0002176800000000 ] - [ 0.0084129000000000, 0.0054958200000000, 0.0077755500000000 ] - [ 0.0008193600000000, 0.0085476400000000, -0.0001132200000000 ] - [ 0.0084129000000000, 0.0054958200000000, -0.0077755500000000 ] - [ 0.0008193600000000, 0.0085476400000000, 0.0001132200000000 ] - [ -0.0010394200000000, 0.0088251200000000, -0.0000919500000000 ] - [ -0.0008897600000000, 0.0083159700000000, -0.0001049300000000 ] - [ -0.0010394200000000, 0.0088251200000000, 0.0000919500000000 ] - [ -0.0008897600000000, 0.0083159700000000, 0.0001049300000000 ] - [ 0.0012520100000000, -0.0087268200000000, -0.0005680100000000 ] - [ 0.0008794400000000, -0.0085464800000000, 0.0000737700000000 ] - [ 0.0012520100000000, -0.0087268200000000, 0.0005680100000000 ] - [ 0.0008794400000000, -0.0085464800000000, -0.0000737700000000 ] - [ -0.0004115100000000, -0.0067005700000000, -0.0004097800000000 ] - [ -0.0008869200000000, -0.0068798700000000, -0.0010426400000000 ] - [ -0.0047375700000000, -0.0082539500000000, -0.0071219300000000 ] - [ -0.0027912000000000, -0.0068087900000000, 0.0011410800000000 ] - [ 0.0009929800000000, 0.0067786600000000, -0.0005549900000000 ] - [ 0.0002541800000000, 0.0068709200000000, -0.0004786400000000 ] - [ 0.0021520000000000, 0.0075556700000000, 0.0012671400000000 ] - [ 0.0001666300000000, 0.0071242700000000, -0.0002402700000000 ] - [ -0.0001350500000000, 0.0042636500000000, -0.0014641200000000 ] - [ -0.0008151200000000, 0.0068960900000000, 0.0003525200000000 ] - [ -0.0001814800000000, 0.0070048100000000, 0.0007437700000000 ] - [ -0.0009448100000000, 0.0069950000000000, 0.0005197500000000 ] - [ 0.0002465100000000, -0.0072793900000000, 0.0005060800000000 ] - [ -0.0000833100000000, -0.0070098200000000, -0.0001767700000000 ] - [ 0.0004129000000000, -0.0073881800000000, 0.0006076900000000 ] - [ 0.0004694000000000, -0.0068661000000000, 0.0006156200000000 ] - [ -0.0001814800000000, 0.0070048100000000, -0.0007437700000000 ] - [ -0.0009448100000000, 0.0069950000000000, -0.0005197500000000 ] - [ -0.0001350500000000, 0.0042636500000000, 0.0014641200000000 ] - [ -0.0008151200000000, 0.0068960900000000, -0.0003525200000000 ] - [ 0.0004129000000000, -0.0073881800000000, -0.0006076900000000 ] - [ 0.0004694000000000, -0.0068661000000000, -0.0006156200000000 ] - [ 0.0002465100000000, -0.0072793900000000, -0.0005060800000000 ] - [ -0.0000833100000000, -0.0070098200000000, 0.0001767700000000 ] - [ -0.0047375700000000, -0.0082539500000000, 0.0071219300000000 ] - [ -0.0027912000000000, -0.0068087900000000, -0.0011410800000000 ] - [ -0.0004115100000000, -0.0067005700000000, 0.0004097800000000 ] - [ -0.0008869200000000, -0.0068798700000000, 0.0010426400000000 ] - [ 0.0021520000000000, 0.0075556700000000, -0.0012671400000000 ] - [ 0.0001666300000000, 0.0071242700000000, 0.0002402700000000 ] - [ 0.0009929800000000, 0.0067786600000000, 0.0005549900000000 ] - [ 0.0002541800000000, 0.0068709200000000, 0.0004786400000000 ] - [ -0.0018354700000000, -0.0015122000000000, -0.0064265500000000 ] - [ 0.0000727300000000, -0.0002183500000000, -0.0064067800000000 ] - [ -0.0509274200000000, -0.0153296000000000, -0.0232923500000000 ] - [ 0.0003770100000000, -0.0007603200000000, -0.0068363400000000 ] - [ 0.0001594300000000, 0.0000547200000000, 0.0066953500000000 ] - [ -0.0005304200000000, 0.0016470800000000, 0.0075184600000000 ] - [ 0.0000720600000000, 0.0001691300000000, 0.0065516800000000 ] - [ 0.0000737700000000, -0.0000222600000000, 0.0061747200000000 ] - [ -0.0509274200000000, -0.0153296000000000, 0.0232923500000000 ] - [ 0.0003770100000000, -0.0007603200000000, 0.0068363400000000 ] - [ -0.0018354700000000, -0.0015122000000000, 0.0064265500000000 ] - [ 0.0000727300000000, -0.0002183500000000, 0.0064067800000000 ] - [ 0.0000720600000000, 0.0001691300000000, -0.0065516800000000 ] - [ 0.0000737700000000, -0.0000222600000000, -0.0061747200000000 ] - [ 0.0001594300000000, 0.0000547200000000, -0.0066953500000000 ] - [ -0.0005304200000000, 0.0016470800000000, -0.0075184600000000 ] - [ -0.0013024100000000, -0.0011093400000000, -0.0004003100000000 ] - [ -0.0023760500000000, -0.0004160400000000, 0.0018619600000000 ] - [ -0.0013024100000000, -0.0011093400000000, 0.0004003100000000 ] - [ -0.0023760500000000, -0.0004160400000000, -0.0018619600000000 ] - [ 0.0021752600000000, 0.0005025700000000, 0.0007204000000000 ] - [ 0.0032401900000000, 0.0003791700000000, 0.0001419700000000 ] - [ 0.0021752600000000, 0.0005025700000000, -0.0007204000000000 ] - [ 0.0032401900000000, 0.0003791700000000, -0.0001419700000000 ] - [ -0.0041957500000000, 0.0002775900000000, 0.0010095800000000 ] - [ -0.0017988900000000, 0.0006258800000000, 0.0004226900000000 ] - [ -0.0041957500000000, 0.0002775900000000, -0.0010095800000000 ] - [ -0.0017988900000000, 0.0006258800000000, -0.0004226900000000 ] - [ 0.0019444300000000, 0.0017658200000000, 0.0005241200000000 ] - [ 0.0030808800000000, -0.0003263100000000, 0.0004240800000000 ] - [ 0.0019444300000000, 0.0017658200000000, -0.0005241200000000 ] - [ 0.0030808800000000, -0.0003263100000000, -0.0004240800000000 ] - [ -0.0085665400000000, -0.0076176200000000, 0.0000000000000000 ] - [ -0.0068988100000000, -0.0067050400000000, 0.0000000000000000 ] - [ -0.0077895800000000, -0.0063061700000000, 0.0000000000000000 ] - [ -0.0073259000000000, -0.0065706500000000, 0.0000000000000000 ] - [ 0.0048213500000000, 0.0090926000000000, 0.0000000000000000 ] - [ 0.0094808400000000, 0.0070352600000000, 0.0000000000000000 ] - [ 0.0076547000000000, 0.0058037600000000, 0.0000000000000000 ] - [ 0.0076843700000000, 0.0067460300000000, 0.0000000000000000 ] - [ -0.0070593900000000, 0.0065107400000000, 0.0000000000000000 ] - [ -0.0071555600000000, 0.0047421200000000, 0.0000000000000000 ] - [ -0.0072470600000000, 0.0066082300000000, 0.0000000000000000 ] - [ -0.0077467600000000, 0.0068528700000000, 0.0000000000000000 ] - [ -0.0116181200000000, -0.0066747500000000, 0.0000000000000000 ] - [ 0.0081716300000000, -0.0064573400000000, 0.0000000000000000 ] - [ 0.0065114700000000, -0.0072153300000000, 0.0000000000000000 ] - [ 0.0077931900000000, -0.0066199100000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0494134200000000, -0.0951002200000000, 0.0000000000000000 ] - [ 0.0034606700000000, -0.0004077300000000, 0.0000000000000000 ] - [ 0.0014580000000000, -0.0021016900000000, 0.0000000000000000 ] - [ 0.0036612200000000, -0.0002210800000000, 0.0000000000000000 ] - [ 0.0064649100000000, 0.0085799200000000, 0.0000000000000000 ] - [ -0.0037574000000000, -0.0003206900000000, 0.0000000000000000 ] - [ -0.0041651800000000, -0.0003297700000000, 0.0000000000000000 ] - [ -0.0037324300000000, 0.0002114500000000, 0.0000000000000000 ] - [ -0.0029689300000000, 0.0019163900000000, 0.0000000000000000 ] - [ 0.0033338400000000, 0.0018880100000000, 0.0000000000000000 ] - [ 0.0039903700000000, -0.0000782400000000, 0.0000000000000000 ] - [ 0.0037483400000000, -0.0000781600000000, 0.0000000000000000 ] - [ -0.0033655600000000, -0.0000353900000000, 0.0000000000000000 ] - [ -0.0037022500000000, -0.0000203600000000, 0.0000000000000000 ] - [ -0.0038176800000000, 0.0000408200000000, 0.0000000000000000 ] - [ -0.0037514100000000, 0.0001467300000000, 0.0000000000000000 ] - [ -0.0021498900000000, -0.0093732200000000, -0.0005227500000000 ] - [ -0.0011276100000000, -0.0089731600000000, -0.0001120700000000 ] - [ -0.0021498900000000, -0.0093732200000000, 0.0005227500000000 ] - [ -0.0011276100000000, -0.0089731600000000, 0.0001120700000000 ] - [ 0.0030169600000000, 0.0037295200000000, -0.0085871400000000 ] - [ 0.0010971600000000, 0.0085897800000000, 0.0000339800000000 ] - [ 0.0030169600000000, 0.0037295200000000, 0.0085871400000000 ] - [ 0.0010971600000000, 0.0085897800000000, -0.0000339800000000 ] - [ -0.0011186400000000, 0.0085100800000000, 0.0002419800000000 ] - [ -0.0009614000000000, 0.0087856200000000, 0.0001956700000000 ] - [ -0.0011186400000000, 0.0085100800000000, -0.0002419800000000 ] - [ -0.0009614000000000, 0.0087856200000000, -0.0001956700000000 ] - [ 0.0009017200000000, -0.0083482500000000, 0.0002433900000000 ] - [ 0.0007604600000000, -0.0080283700000000, 0.0009971700000000 ] - [ 0.0009017200000000, -0.0083482500000000, -0.0002433900000000 ] - [ 0.0007604600000000, -0.0080283700000000, -0.0009971700000000 ] - [ -0.0003649500000000, -0.0071597900000000, -0.0001684000000000 ] - [ -0.0002888500000000, -0.0070335000000000, -0.0001213900000000 ] - [ -0.0052002000000000, -0.0089294100000000, -0.0066259100000000 ] - [ 0.0006459800000000, -0.0070111500000000, -0.0013026000000000 ] - [ 0.0003286200000000, 0.0070405000000000, -0.0005276200000000 ] - [ 0.0006131500000000, 0.0070801300000000, -0.0005071900000000 ] - [ 0.0027332100000000, 0.0077332900000000, 0.0001976200000000 ] - [ 0.0007014800000000, 0.0069331800000000, -0.0006357000000000 ] - [ 0.0012487900000000, 0.0091176900000000, 0.0015788200000000 ] - [ -0.0005737300000000, 0.0070729900000000, 0.0008811800000000 ] - [ -0.0001191100000000, 0.0066591500000000, -0.0001028600000000 ] - [ -0.0005422100000000, 0.0072190000000000, 0.0003853500000000 ] - [ 0.0005804900000000, -0.0064322900000000, 0.0006648700000000 ] - [ 0.0008880900000000, -0.0060253900000000, 0.0002908900000000 ] - [ 0.0006815700000000, -0.0064070000000000, 0.0004561900000000 ] - [ 0.0005923200000000, -0.0069381700000000, 0.0004635900000000 ] - [ -0.0001191100000000, 0.0066591500000000, 0.0001028600000000 ] - [ -0.0005422100000000, 0.0072190000000000, -0.0003853500000000 ] - [ 0.0012487900000000, 0.0091176900000000, -0.0015788200000000 ] - [ -0.0005737300000000, 0.0070729900000000, -0.0008811800000000 ] - [ 0.0006815700000000, -0.0064070000000000, -0.0004561900000000 ] - [ 0.0005923200000000, -0.0069381700000000, -0.0004635900000000 ] - [ 0.0005804900000000, -0.0064322900000000, -0.0006648700000000 ] - [ 0.0008880900000000, -0.0060253900000000, -0.0002908900000000 ] - [ -0.0052002000000000, -0.0089294100000000, 0.0066259100000000 ] - [ 0.0006459800000000, -0.0070111500000000, 0.0013026000000000 ] - [ -0.0003649500000000, -0.0071597900000000, 0.0001684000000000 ] - [ -0.0002888500000000, -0.0070335000000000, 0.0001213900000000 ] - [ 0.0027332100000000, 0.0077332900000000, -0.0001976200000000 ] - [ 0.0007014800000000, 0.0069331800000000, 0.0006357000000000 ] - [ 0.0003286200000000, 0.0070405000000000, 0.0005276200000000 ] - [ 0.0006131500000000, 0.0070801300000000, 0.0005071900000000 ] - [ 0.0015048200000000, 0.0011731900000000, -0.0060009800000000 ] - [ -0.0000560500000000, 0.0001310600000000, -0.0067464300000000 ] - [ 0.0190131200000000, 0.0449593700000000, 0.0058407300000000 ] - [ -0.0002840900000000, 0.0006572100000000, -0.0068133700000000 ] - [ -0.0001544100000000, -0.0011900900000000, 0.0048166800000000 ] - [ -0.0003309100000000, -0.0014935700000000, 0.0062470700000000 ] - [ -0.0002326800000000, -0.0002878900000000, 0.0070090800000000 ] - [ -0.0000705400000000, -0.0001510600000000, 0.0068102100000000 ] - [ 0.0190131200000000, 0.0449593700000000, -0.0058407300000000 ] - [ -0.0002840900000000, 0.0006572100000000, 0.0068133700000000 ] - [ 0.0015048200000000, 0.0011731900000000, 0.0060009800000000 ] - [ -0.0000560500000000, 0.0001310600000000, 0.0067464300000000 ] - [ -0.0002326800000000, -0.0002878900000000, -0.0070090800000000 ] - [ -0.0000705400000000, -0.0001510600000000, -0.0068102100000000 ] - [ -0.0001544100000000, -0.0011900900000000, -0.0048166800000000 ] - [ -0.0003309100000000, -0.0014935700000000, -0.0062470700000000 ] - [ -0.0024600900000000, 0.0004195400000000, -0.0009967900000000 ] - [ -0.0028518700000000, -0.0001606300000000, -0.0009044700000000 ] - [ -0.0024600900000000, 0.0004195400000000, 0.0009967900000000 ] - [ -0.0028518700000000, -0.0001606300000000, 0.0009044700000000 ] - [ 0.0031281400000000, 0.0002779300000000, -0.0000711000000000 ] - [ 0.0021447600000000, -0.0000591300000000, -0.0001520700000000 ] - [ 0.0031281400000000, 0.0002779300000000, 0.0000711000000000 ] - [ 0.0021447600000000, -0.0000591300000000, 0.0001520700000000 ] - [ -0.0027018100000000, 0.0006608800000000, -0.0014800900000000 ] - [ -0.0025663500000000, 0.0004546100000000, -0.0002588100000000 ] - [ -0.0027018100000000, 0.0006608800000000, 0.0014800900000000 ] - [ -0.0025663500000000, 0.0004546100000000, 0.0002588100000000 ] - [ 0.0027291700000000, -0.0033386600000000, -0.0004131400000000 ] - [ 0.0024225500000000, -0.0004707500000000, -0.0001336000000000 ] - [ 0.0027291700000000, -0.0033386600000000, 0.0004131400000000 ] - [ 0.0024225500000000, -0.0004707500000000, 0.0001336000000000 ] - [ -0.0085583200000000, -0.0086950100000000, 0.0000000000000000 ] - [ -0.0075698300000000, -0.0068570100000000, 0.0000000000000000 ] - [ -0.0074369600000000, -0.0070797500000000, 0.0000000000000000 ] - [ -0.0075498000000000, -0.0067791400000000, 0.0000000000000000 ] - [ 0.0110750700000000, 0.0151809300000000, 0.0000000000000000 ] - [ 0.0067738400000000, 0.0063442900000000, 0.0000000000000000 ] - [ 0.0071272900000000, 0.0073443500000000, 0.0000000000000000 ] - [ 0.0076276800000000, 0.0066730700000000, 0.0000000000000000 ] - [ -0.0078290300000000, 0.0064140600000000, 0.0000000000000000 ] - [ -0.0066268900000000, 0.0056505900000000, 0.0000000000000000 ] - [ -0.0078879200000000, 0.0064881200000000, 0.0000000000000000 ] - [ -0.0074511000000000, 0.0064393900000000, 0.0000000000000000 ] - [ 0.0131980200000000, -0.0058198700000000, 0.0000000000000000 ] - [ 0.0085085200000000, -0.0057745900000000, 0.0000000000000000 ] - [ 0.0083452500000000, -0.0058302800000000, 0.0000000000000000 ] - [ 0.0076567700000000, -0.0065756200000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0587352900000000, 0.0948512200000000, 0.0000000000000000 ] - [ 0.0039803100000000, 0.0003161000000000, 0.0000000000000000 ] - [ 0.0059604300000000, 0.0019825000000000, 0.0000000000000000 ] - [ 0.0037801000000000, 0.0001283400000000, 0.0000000000000000 ] - [ -0.0141202400000000, -0.0085623000000000, 0.0000000000000000 ] - [ -0.0036856500000000, 0.0004206000000000, 0.0000000000000000 ] - [ -0.0032613600000000, 0.0004393200000000, 0.0000000000000000 ] - [ -0.0037074400000000, -0.0001197000000000, 0.0000000000000000 ] - [ 0.0103375300000000, -0.0018049700000000, 0.0000000000000000 ] - [ 0.0040781500000000, -0.0018320800000000, 0.0000000000000000 ] - [ 0.0034510100000000, 0.0001706900000000, 0.0000000000000000 ] - [ 0.0036873500000000, 0.0001723400000000, 0.0000000000000000 ] - [ -0.0040797100000000, -0.0000632100000000, 0.0000000000000000 ] - [ -0.0037298300000000, -0.0000733500000000, 0.0000000000000000 ] - [ -0.0036222800000000, -0.0001343800000000, 0.0000000000000000 ] - [ -0.0036819800000000, -0.0002430100000000, 0.0000000000000000 ] - [ 0.0001748400000000, -0.0077855000000000, 0.0005178200000000 ] - [ -0.0008506900000000, -0.0081869800000000, 0.0001143100000000 ] - [ 0.0001748400000000, -0.0077855000000000, -0.0005178200000000 ] - [ -0.0008506900000000, -0.0081869800000000, -0.0001143100000000 ] - [ -0.0010060000000000, 0.0135405900000000, 0.0086373300000000 ] - [ 0.0008855500000000, 0.0085690800000000, -0.0000320700000000 ] - [ -0.0010060000000000, 0.0135405900000000, -0.0086373300000000 ] - [ 0.0008855500000000, 0.0085690800000000, 0.0000320700000000 ] - [ -0.0008629400000000, 0.0086495700000000, -0.0002401600000000 ] - [ -0.0010245900000000, 0.0083750900000000, -0.0001964600000000 ] - [ -0.0008629400000000, 0.0086495700000000, 0.0002401600000000 ] - [ -0.0010245900000000, 0.0083750900000000, 0.0001964600000000 ] - [ 0.0010827000000000, -0.0088146600000000, -0.0002461200000000 ] - [ 0.0012211600000000, -0.0091244500000000, -0.0009874200000000 ] - [ 0.0010827000000000, -0.0088146600000000, 0.0002461200000000 ] - [ 0.0012211600000000, -0.0091244500000000, 0.0009874200000000 ] - [ -0.0006344700000000, -0.0066620800000000, -0.0007969300000000 ] - [ -0.0007185500000000, -0.0067836300000000, -0.0008424500000000 ] - [ 0.0041659600000000, -0.0048835600000000, 0.0056637100000000 ] - [ -0.0016557700000000, -0.0068076700000000, 0.0003394000000000 ] - [ 0.0006693700000000, 0.0067777000000000, -0.0004361000000000 ] - [ 0.0003958800000000, 0.0067368300000000, -0.0004601600000000 ] - [ -0.0017560700000000, 0.0060348600000000, -0.0012499900000000 ] - [ 0.0003094500000000, 0.0068834200000000, -0.0003306300000000 ] - [ -0.0022081000000000, 0.0047545900000000, -0.0005873600000000 ] - [ -0.0004252100000000, 0.0067403500000000, 0.0000824900000000 ] - [ -0.0008918800000000, 0.0071546500000000, 0.0010675600000000 ] - [ -0.0004565400000000, 0.0065957600000000, 0.0005778500000000 ] - [ 0.0004334200000000, -0.0073779200000000, 0.0003018900000000 ] - [ 0.0001160900000000, -0.0077899600000000, 0.0006789900000000 ] - [ 0.0003297400000000, -0.0074034400000000, 0.0005104800000000 ] - [ 0.0004098500000000, -0.0068766400000000, 0.0004968900000000 ] - [ -0.0008918800000000, 0.0071546500000000, -0.0010675600000000 ] - [ -0.0004565400000000, 0.0065957600000000, -0.0005778500000000 ] - [ -0.0022081000000000, 0.0047545900000000, 0.0005873600000000 ] - [ -0.0004252100000000, 0.0067403500000000, -0.0000824900000000 ] - [ 0.0003297400000000, -0.0074034400000000, -0.0005104800000000 ] - [ 0.0004098500000000, -0.0068766400000000, -0.0004968900000000 ] - [ 0.0004334200000000, -0.0073779200000000, -0.0003018900000000 ] - [ 0.0001160900000000, -0.0077899600000000, -0.0006789900000000 ] - [ 0.0041659600000000, -0.0048835600000000, -0.0056637100000000 ] - [ -0.0016557700000000, -0.0068076700000000, -0.0003394000000000 ] - [ -0.0006344700000000, -0.0066620800000000, 0.0007969300000000 ] - [ -0.0007185500000000, -0.0067836300000000, 0.0008424500000000 ] - [ -0.0017560700000000, 0.0060348600000000, 0.0012499900000000 ] - [ 0.0003094500000000, 0.0068834200000000, 0.0003306300000000 ] - [ 0.0006693700000000, 0.0067777000000000, 0.0004361000000000 ] - [ 0.0003958800000000, 0.0067368300000000, 0.0004601600000000 ] - [ -0.0015167500000000, -0.0011793400000000, -0.0072312800000000 ] - [ 0.0000552500000000, -0.0001302200000000, -0.0065152200000000 ] - [ -0.0196491000000000, -0.0452492800000000, -0.0196495100000000 ] - [ 0.0002842900000000, -0.0006563100000000, -0.0064488500000000 ] - [ 0.0001538100000000, 0.0011780400000000, 0.0084291200000000 ] - [ 0.0003226400000000, 0.0014880800000000, 0.0070314200000000 ] - [ 0.0002304600000000, 0.0002840900000000, 0.0062518800000000 ] - [ 0.0000716400000000, 0.0001541100000000, 0.0064493500000000 ] - [ -0.0196491000000000, -0.0452492800000000, 0.0196495100000000 ] - [ 0.0002842900000000, -0.0006563100000000, 0.0064488500000000 ] - [ -0.0015167500000000, -0.0011793400000000, 0.0072312800000000 ] - [ 0.0000552500000000, -0.0001302200000000, 0.0065152200000000 ] - [ 0.0002304600000000, 0.0002840900000000, -0.0062518800000000 ] - [ 0.0000716400000000, 0.0001541100000000, -0.0064493500000000 ] - [ 0.0001538100000000, 0.0011780400000000, -0.0084291200000000 ] - [ 0.0003226400000000, 0.0014880800000000, -0.0070314200000000 ] - [ -0.0027444100000000, -0.0011539900000000, 0.0010006000000000 ] - [ -0.0023278600000000, -0.0005917900000000, 0.0009034600000000 ] - [ -0.0027444100000000, -0.0011539900000000, -0.0010006000000000 ] - [ -0.0023278600000000, -0.0005917900000000, -0.0009034600000000 ] - [ 0.0020682500000000, 0.0004647800000000, 0.0000653400000000 ] - [ 0.0030250300000000, 0.0008095800000000, 0.0001512200000000 ] - [ 0.0020682500000000, 0.0004647800000000, -0.0000653400000000 ] - [ 0.0030250300000000, 0.0008095800000000, -0.0001512200000000 ] - [ -0.0024728100000000, 0.0001036400000000, 0.0014664800000000 ] - [ -0.0026220600000000, 0.0002950800000000, 0.0002588200000000 ] - [ -0.0024728100000000, 0.0001036400000000, -0.0014664800000000 ] - [ -0.0026220600000000, 0.0002950800000000, -0.0002588200000000 ] - [ 0.0024563000000000, 0.0025450300000000, 0.0004044000000000 ] - [ 0.0027613300000000, -0.0002782800000000, 0.0001327900000000 ] - [ 0.0024563000000000, 0.0025450300000000, -0.0004044000000000 ] - [ 0.0027613300000000, -0.0002782800000000, -0.0001327900000000 ] - [ -0.0065069600000000, -0.0045792800000000, 0.0000000000000000 ] - [ -0.0075125800000000, -0.0063913700000000, 0.0000000000000000 ] - [ -0.0076382100000000, -0.0061834400000000, 0.0000000000000000 ] - [ -0.0075324600000000, -0.0064715300000000, 0.0000000000000000 ] - [ 0.0037098000000000, -0.0012707000000000, 0.0000000000000000 ] - [ 0.0083132500000000, 0.0069034500000000, 0.0000000000000000 ] - [ 0.0079473100000000, 0.0059242200000000, 0.0000000000000000 ] - [ 0.0074533200000000, 0.0065754300000000, 0.0000000000000000 ] - [ -0.0072739900000000, 0.0068232300000000, 0.0000000000000000 ] - [ -0.0084602000000000, 0.0076058700000000, 0.0000000000000000 ] - [ -0.0072069700000000, 0.0067600000000000, 0.0000000000000000 ] - [ -0.0076212000000000, 0.0068102100000000, 0.0000000000000000 ] - [ 0.0018758600000000, -0.0073949500000000, 0.0000000000000000 ] - [ 0.0065643600000000, -0.0074694300000000, 0.0000000000000000 ] - [ 0.0067534100000000, -0.0074124200000000, 0.0000000000000000 ] - [ 0.0074151300000000, -0.0066757900000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0057435800000000, 0.0016023300000000, -0.1520209800000000 ] - [ 0.0037186900000000, -0.0000476500000000, -0.0001130100000000 ] - [ 0.0037220100000000, -0.0000451200000000, 0.0055251300000000 ] - [ 0.0037180200000000, -0.0000493400000000, 0.0001150800000000 ] - [ -0.0036264100000000, 0.0001188000000000, -0.0055730500000000 ] - [ -0.0037213100000000, 0.0000540600000000, -0.0000332900000000 ] - [ -0.0037096100000000, 0.0000582200000000, 0.0006677400000000 ] - [ -0.0037175700000000, 0.0000500700000000, 0.0001464300000000 ] - [ 0.0037375800000000, 0.0000452600000000, 0.0007040500000000 ] - [ 0.0037173300000000, 0.0000167000000000, 0.0007035400000000 ] - [ 0.0037171600000000, 0.0000498000000000, 0.0002441100000000 ] - [ 0.0037170900000000, 0.0000502400000000, 0.0002439800000000 ] - [ -0.0037173200000000, -0.0000481600000000, -0.0001923700000000 ] - [ -0.0037173000000000, -0.0000534900000000, -0.0002865600000000 ] - [ -0.0037180000000000, -0.0000492800000000, 0.0001029100000000 ] - [ -0.0037178300000000, -0.0000511300000000, 0.0002442700000000 ] - [ -0.0009731900000000, -0.0083900500000000, 0.0020905900000000 ] - [ -0.0011725100000000, -0.0084931900000000, 0.0000260500000000 ] - [ -0.0010191300000000, -0.0087775600000000, 0.0020955700000000 ] - [ -0.0008137300000000, -0.0086669000000000, 0.0000252200000000 ] - [ -0.0052286400000000, -0.0007291700000000, 0.0089573900000000 ] - [ 0.0010487300000000, 0.0086037700000000, 0.0000213900000000 ] - [ 0.0069805200000000, 0.0176878800000000, 0.0086893800000000 ] - [ 0.0009373400000000, 0.0085581300000000, 0.0000219600000000 ] - [ -0.0012514900000000, 0.0089129000000000, -0.0000277100000000 ] - [ -0.0010508600000000, 0.0086528800000000, -0.0000226100000000 ] - [ -0.0007341200000000, 0.0082539900000000, -0.0000279400000000 ] - [ -0.0009363000000000, 0.0085064500000000, -0.0000213400000000 ] - [ 0.0012054400000000, -0.0087312000000000, 0.0000284600000000 ] - [ 0.0010756200000000, -0.0087996900000000, 0.0001428600000000 ] - [ 0.0007821900000000, -0.0084334000000000, 0.0000325800000000 ] - [ 0.0009108500000000, -0.0083644800000000, 0.0001435500000000 ] - [ -0.0004992500000000, -0.0065842800000000, 0.0000595000000000 ] - [ -0.0005209300000000, -0.0067980600000000, -0.0004255400000000 ] - [ 0.0014047800000000, -0.0059624400000000, 0.0013623000000000 ] - [ -0.0000654700000000, -0.0068889800000000, -0.0008034200000000 ] - [ 0.0007514200000000, 0.0066518600000000, 0.0001582000000000 ] - [ 0.0001893400000000, 0.0068120300000000, -0.0000793700000000 ] - [ 0.0000082800000000, 0.0069126800000000, -0.0012110500000000 ] - [ 0.0008280200000000, 0.0069964200000000, -0.0008905900000000 ] - [ 0.0025325000000000, 0.0094358900000000, 0.0002799200000000 ] - [ -0.0006477900000000, 0.0067765100000000, 0.0001896500000000 ] - [ -0.0006889100000000, 0.0068156600000000, 0.0007533900000000 ] - [ -0.0002043000000000, 0.0070603800000000, 0.0007362300000000 ] - [ -0.0000070800000000, -0.0071924300000000, -0.0001355200000000 ] - [ 0.0007732400000000, -0.0062102900000000, 0.0001924800000000 ] - [ 0.0011794400000000, -0.0060885100000000, 0.0010306400000000 ] - [ 0.0004548200000000, -0.0069535400000000, 0.0006147300000000 ] - [ -0.0003156700000000, 0.0070047300000000, -0.0002103500000000 ] - [ -0.0007991900000000, 0.0067537800000000, -0.0002242700000000 ] - [ -0.0034966900000000, 0.0044194400000000, -0.0006677400000000 ] - [ -0.0003553900000000, 0.0070423400000000, -0.0007684500000000 ] - [ -0.0001790700000000, -0.0077480600000000, 0.0000693800000000 ] - [ 0.0005450400000000, -0.0068645800000000, -0.0003450600000000 ] - [ 0.0010091100000000, -0.0066331700000000, -0.0010953700000000 ] - [ 0.0002325900000000, -0.0076006600000000, -0.0007637000000000 ] - [ -0.0024391700000000, -0.0078752100000000, 0.0023244700000000 ] - [ -0.0009637500000000, -0.0069315900000000, 0.0001351500000000 ] - [ -0.0005039500000000, -0.0072343600000000, 0.0010184900000000 ] - [ -0.0004818100000000, -0.0070216200000000, 0.0005365800000000 ] - [ 0.0010062600000000, 0.0069468900000000, -0.0002815300000000 ] - [ 0.0001685000000000, 0.0068275000000000, 0.0000662200000000 ] - [ 0.0002529200000000, 0.0071690000000000, 0.0011160500000000 ] - [ 0.0008101300000000, 0.0070087300000000, 0.0008793800000000 ] - [ -0.0011492000000000, -0.0016975200000000, -0.0137103800000000 ] - [ 0.0000196600000000, -0.0001022800000000, -0.0067527600000000 ] - [ 0.0335468800000000, 0.0211782700000000, 0.0585204200000000 ] - [ -0.0000718600000000, 0.0001695800000000, -0.0066472700000000 ] - [ -0.0000428900000000, 0.0001557800000000, 0.0068515800000000 ] - [ -0.0002383300000000, -0.0008860700000000, 0.0073515200000000 ] - [ -0.0002451100000000, -0.0003950900000000, 0.0064376700000000 ] - [ 0.0000860300000000, 0.0000261300000000, 0.0064150000000000 ] - [ -0.0353883800000000, -0.0227193100000000, 0.0749802600000000 ] - [ 0.0000776700000000, -0.0001822500000000, 0.0066110700000000 ] - [ 0.0011159100000000, 0.0016583000000000, -0.0004042200000000 ] - [ -0.0000177700000000, 0.0000999000000000, 0.0065025600000000 ] - [ 0.0002481200000000, 0.0004006100000000, -0.0068167400000000 ] - [ -0.0000836600000000, -0.0000254400000000, -0.0068395000000000 ] - [ 0.0000436600000000, -0.0001501400000000, -0.0064118600000000 ] - [ 0.0002184000000000, 0.0008910400000000, -0.0059281400000000 ] - [ -0.0012873600000000, -0.0020710100000000, -0.0001996600000000 ] - [ -0.0029276100000000, -0.0003233000000000, 0.0001003000000000 ] - [ -0.0038948700000000, 0.0013052600000000, -0.0002020500000000 ] - [ -0.0022611300000000, -0.0004304000000000, 0.0000823800000000 ] - [ 0.0018176800000000, 0.0006457400000000, -0.0000311700000000 ] - [ 0.0038521100000000, 0.0006182700000000, 0.0001464800000000 ] - [ 0.0033804100000000, 0.0001052800000000, -0.0000382400000000 ] - [ 0.0013446300000000, 0.0001384100000000, 0.0001448700000000 ] - [ -0.0024013500000000, -0.0006572500000000, -0.0004880600000000 ] - [ -0.0023472100000000, 0.0003928400000000, 0.0000563800000000 ] - [ -0.0027869400000000, 0.0014170700000000, -0.0004830900000000 ] - [ -0.0028349300000000, 0.0003639700000000, 0.0000520400000000 ] - [ 0.0019008500000000, 0.0049746500000000, 0.0006552300000000 ] - [ 0.0025492100000000, -0.0003245900000000, -0.0000606200000000 ] - [ 0.0032635200000000, -0.0056969600000000, 0.0006431700000000 ] - [ 0.0026382000000000, -0.0004292300000000, -0.0000595100000000 ] - [ -0.0075468200000000, -0.0066383600000000, 0.0011728300000000 ] - [ -0.0075378400000000, -0.0066274600000000, 0.0002958800000000 ] - [ -0.0075401600000000, -0.0066291300000000, -0.0011224200000000 ] - [ -0.0075386700000000, -0.0066270900000000, -0.0001763500000000 ] - [ 0.0075342400000000, 0.0066354100000000, 0.0005440900000000 ] - [ 0.0075478500000000, 0.0066315700000000, -0.0000879800000000 ] - [ 0.0075395500000000, 0.0066283700000000, -0.0007857800000000 ] - [ 0.0075388900000000, 0.0066277700000000, -0.0001840900000000 ] - [ -0.0075401200000000, 0.0066291500000000, 0.0009751300000000 ] - [ -0.0075370600000000, 0.0066225800000000, 0.0004423200000000 ] - [ -0.0075388400000000, 0.0066287900000000, -0.0012179500000000 ] - [ -0.0075392400000000, 0.0066292800000000, -0.0002466500000000 ] - [ 0.0075338500000000, -0.0066122900000000, 0.0038666900000000 ] - [ 0.0075378700000000, -0.0066298500000000, 0.0005264100000000 ] - [ 0.0075393400000000, -0.0066287100000000, -0.0002544700000000 ] - [ 0.0075379800000000, -0.0066279900000000, -0.0004994900000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023100400000000, -0.0012060900000000, 0.0000196900000000 ] - [ 0.0039386800000000, -0.0001902900000000, -0.0001798100000000 ] - [ 0.0023100400000000, -0.0012060900000000, -0.0000196900000000 ] - [ 0.0039386800000000, -0.0001902900000000, 0.0001798100000000 ] - [ -0.0110642300000000, 0.0020699500000000, 0.0060479400000000 ] - [ -0.0035438000000000, 0.0001551200000000, -0.0000556200000000 ] - [ -0.0110642300000000, 0.0020699500000000, -0.0060479400000000 ] - [ -0.0035438000000000, 0.0001551200000000, 0.0000556200000000 ] - [ 0.0036135500000000, 0.0000192900000000, -0.0000571300000000 ] - [ 0.0037645700000000, 0.0001801500000000, -0.0002585700000000 ] - [ 0.0036135500000000, 0.0000192900000000, 0.0000571300000000 ] - [ 0.0037645700000000, 0.0001801500000000, 0.0002585700000000 ] - [ -0.0039791200000000, 0.0000411200000000, -0.0002122500000000 ] - [ -0.0036006100000000, 0.0001824200000000, -0.0000808500000000 ] - [ -0.0039791200000000, 0.0000411200000000, 0.0002122500000000 ] - [ -0.0036006100000000, 0.0001824200000000, 0.0000808500000000 ] - [ -0.1172855600000000, -0.0471124900000000, 0.0000000000000000 ] - [ -0.0009877000000000, -0.0086532800000000, 0.0000000000000000 ] - [ -0.0026663300000000, -0.0106682700000000, 0.0000000000000000 ] - [ -0.0009448700000000, -0.0085821000000000, 0.0000000000000000 ] - [ 0.0122887400000000, 0.0173319600000000, 0.0000000000000000 ] - [ 0.0016436800000000, 0.0086539300000000, 0.0000000000000000 ] - [ 0.0002242700000000, 0.0080066700000000, 0.0000000000000000 ] - [ 0.0009733500000000, 0.0085939000000000, 0.0000000000000000 ] - [ -0.0012177500000000, 0.0086027200000000, 0.0000000000000000 ] - [ -0.0012217600000000, 0.0094796400000000, 0.0000000000000000 ] - [ -0.0009627900000000, 0.0085211500000000, 0.0000000000000000 ] - [ -0.0009631900000000, 0.0086373200000000, 0.0000000000000000 ] - [ -0.0005315000000000, -0.0120951500000000, 0.0000000000000000 ] - [ 0.0010980800000000, -0.0086013600000000, 0.0000000000000000 ] - [ 0.0009374200000000, -0.0084828700000000, 0.0000000000000000 ] - [ 0.0010112000000000, -0.0085546700000000, 0.0000000000000000 ] - [ 0.0020022600000000, -0.0058401900000000, -0.0048351500000000 ] - [ 0.0008137200000000, -0.0069218500000000, 0.0007169500000000 ] - [ -0.0004209200000000, -0.0071306100000000, -0.0004518300000000 ] - [ -0.0004122400000000, -0.0069937300000000, -0.0006759700000000 ] - [ -0.0017890700000000, 0.0062666500000000, 0.0022635700000000 ] - [ 0.0007438700000000, 0.0068914100000000, -0.0003030900000000 ] - [ 0.0002656900000000, 0.0069405300000000, -0.0004244300000000 ] - [ 0.0007320100000000, 0.0070311700000000, -0.0004945500000000 ] - [ 0.0006861500000000, 0.0099225000000000, -0.0001778100000000 ] - [ -0.0003764500000000, 0.0068677300000000, 0.0003486700000000 ] - [ -0.0007237000000000, 0.0069395900000000, 0.0007935200000000 ] - [ -0.0003799300000000, 0.0069479600000000, 0.0004950400000000 ] - [ 0.0002789900000000, -0.0065942600000000, 0.0001849900000000 ] - [ 0.0018437400000000, -0.0070178100000000, -0.0003170000000000 ] - [ 0.0003987500000000, -0.0065377100000000, 0.0003238400000000 ] - [ 0.0005429100000000, -0.0070968600000000, 0.0007882500000000 ] - [ 0.0006861500000000, 0.0099225000000000, 0.0001778100000000 ] - [ -0.0003764500000000, 0.0068677300000000, -0.0003486700000000 ] - [ -0.0007237000000000, 0.0069395900000000, -0.0007935200000000 ] - [ -0.0003799300000000, 0.0069479600000000, -0.0004950400000000 ] - [ 0.0002789900000000, -0.0065942600000000, -0.0001849900000000 ] - [ 0.0018437400000000, -0.0070178100000000, 0.0003170000000000 ] - [ 0.0003987500000000, -0.0065377100000000, -0.0003238400000000 ] - [ 0.0005429100000000, -0.0070968600000000, -0.0007882500000000 ] - [ 0.0020022600000000, -0.0058401900000000, 0.0048351500000000 ] - [ 0.0008137200000000, -0.0069218500000000, -0.0007169500000000 ] - [ -0.0004209200000000, -0.0071306100000000, 0.0004518300000000 ] - [ -0.0004122400000000, -0.0069937300000000, 0.0006759700000000 ] - [ -0.0017890700000000, 0.0062666500000000, -0.0022635700000000 ] - [ 0.0007438700000000, 0.0068914100000000, 0.0003030900000000 ] - [ 0.0002656900000000, 0.0069405300000000, 0.0004244300000000 ] - [ 0.0007320100000000, 0.0070311700000000, 0.0004945500000000 ] - [ 0.0559205400000000, 0.0142742100000000, -0.0283092200000000 ] - [ -0.0002284000000000, 0.0003266300000000, -0.0068101500000000 ] - [ 0.0014408600000000, 0.0021044100000000, -0.0065853800000000 ] - [ -0.0000504600000000, 0.0000934500000000, -0.0065097100000000 ] - [ 0.0001043400000000, -0.0001139600000000, 0.0067241200000000 ] - [ -0.0003126800000000, -0.0007764300000000, 0.0064047100000000 ] - [ 0.0000994500000000, -0.0001941900000000, 0.0064846500000000 ] - [ -0.0000113500000000, -0.0000605400000000, 0.0064130600000000 ] - [ 0.0559205400000000, 0.0142742100000000, 0.0283092200000000 ] - [ -0.0002284000000000, 0.0003266300000000, 0.0068101500000000 ] - [ 0.0014408600000000, 0.0021044100000000, 0.0065853800000000 ] - [ -0.0000504600000000, 0.0000934500000000, 0.0065097100000000 ] - [ 0.0001043400000000, -0.0001139600000000, -0.0067241200000000 ] - [ -0.0003126800000000, -0.0007764300000000, -0.0064047100000000 ] - [ 0.0000994500000000, -0.0001941900000000, -0.0064846500000000 ] - [ -0.0000113500000000, -0.0000605400000000, -0.0064130600000000 ] - [ -0.0030584500000000, -0.0003432500000000, 0.0000000000000000 ] - [ -0.0056286300000000, -0.0008733800000000, 0.0000000000000000 ] - [ -0.0029143500000000, -0.0003840800000000, 0.0000000000000000 ] - [ -0.0023930200000000, -0.0002910300000000, 0.0000000000000000 ] - [ 0.0031553600000000, 0.0051379800000000, 0.0000000000000000 ] - [ 0.0024326700000000, 0.0003428300000000, 0.0000000000000000 ] - [ 0.0029759500000000, 0.0000698100000000, 0.0000000000000000 ] - [ 0.0023997100000000, 0.0003791900000000, 0.0000000000000000 ] - [ 0.0050111700000000, -0.0075381500000000, 0.0000000000000000 ] - [ -0.0029827300000000, 0.0003332300000000, 0.0000000000000000 ] - [ -0.0024144400000000, 0.0012580900000000, 0.0000000000000000 ] - [ -0.0027920800000000, 0.0003388100000000, 0.0000000000000000 ] - [ 0.0033650000000000, 0.0001724600000000, 0.0000000000000000 ] - [ 0.0015142600000000, -0.0003497200000000, 0.0000000000000000 ] - [ 0.0028369000000000, -0.0005246800000000, 0.0000000000000000 ] - [ 0.0024039000000000, -0.0004558200000000, 0.0000000000000000 ] - [ -0.0059239300000000, -0.0078517000000000, 0.0007317400000000 ] - [ -0.0079371000000000, -0.0066847500000000, 0.0001819000000000 ] - [ -0.0059239300000000, -0.0078517000000000, -0.0007317400000000 ] - [ -0.0079371000000000, -0.0066847500000000, -0.0001819000000000 ] - [ 0.0081927300000000, 0.0069044500000000, 0.0001979900000000 ] - [ 0.0073140200000000, 0.0064951500000000, 0.0002725700000000 ] - [ 0.0081927300000000, 0.0069044500000000, -0.0001979900000000 ] - [ 0.0073140200000000, 0.0064951500000000, -0.0002725700000000 ] - [ -0.0088449000000000, 0.0059061100000000, 0.0002389600000000 ] - [ -0.0075559800000000, 0.0065310500000000, 0.0008268400000000 ] - [ -0.0088449000000000, 0.0059061100000000, -0.0002389600000000 ] - [ -0.0075559800000000, 0.0065310500000000, -0.0008268400000000 ] - [ 0.0072756800000000, -0.0065967500000000, 0.0013731100000000 ] - [ 0.0072190800000000, -0.0064580500000000, 0.0000664100000000 ] - [ 0.0072756800000000, -0.0065967500000000, -0.0013731100000000 ] - [ 0.0072190800000000, -0.0064580500000000, -0.0000664100000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0051399300000000, 0.0011217500000000, -0.0000255500000000 ] - [ 0.0035006600000000, 0.0000902800000000, 0.0001790600000000 ] - [ 0.0051399300000000, 0.0011217500000000, 0.0000255500000000 ] - [ 0.0035006600000000, 0.0000902800000000, -0.0001790600000000 ] - [ 0.0037150000000000, -0.0019562100000000, -0.0061617300000000 ] - [ -0.0038925000000000, -0.0000593200000000, 0.0000552600000000 ] - [ 0.0037150000000000, -0.0019562100000000, 0.0061617300000000 ] - [ -0.0038925000000000, -0.0000593200000000, -0.0000552600000000 ] - [ 0.0038234500000000, 0.0000781800000000, 0.0000568300000000 ] - [ 0.0036735700000000, -0.0000794000000000, 0.0002590000000000 ] - [ 0.0038234500000000, 0.0000781800000000, -0.0000568300000000 ] - [ 0.0036735700000000, -0.0000794000000000, -0.0002590000000000 ] - [ -0.0034618400000000, -0.0001353100000000, 0.0002107600000000 ] - [ -0.0038335000000000, -0.0002750500000000, 0.0000841100000000 ] - [ -0.0034618400000000, -0.0001353100000000, -0.0002107600000000 ] - [ -0.0038335000000000, -0.0002750500000000, -0.0000841100000000 ] - [ 0.1168770000000000, 0.0318990600000000, 0.0000000000000000 ] - [ -0.0009951400000000, -0.0085096300000000, 0.0000000000000000 ] - [ 0.0006845100000000, -0.0064879200000000, 0.0000000000000000 ] - [ -0.0010391000000000, -0.0085789700000000, 0.0000000000000000 ] - [ -0.0105412600000000, -0.0004339800000000, 0.0000000000000000 ] - [ 0.0003435300000000, 0.0085091900000000, 0.0000000000000000 ] - [ 0.0017661200000000, 0.0091561200000000, 0.0000000000000000 ] - [ 0.0010122300000000, 0.0085672000000000, 0.0000000000000000 ] - [ -0.0007614500000000, 0.0085576200000000, 0.0000000000000000 ] - [ -0.0007664000000000, 0.0076887100000000, 0.0000000000000000 ] - [ -0.0010224900000000, 0.0086397900000000, 0.0000000000000000 ] - [ -0.0010205600000000, 0.0085248100000000, 0.0000000000000000 ] - [ 0.0024902100000000, -0.0051179200000000, 0.0000000000000000 ] - [ 0.0008886300000000, -0.0085585100000000, 0.0000000000000000 ] - [ 0.0010463300000000, -0.0086776200000000, 0.0000000000000000 ] - [ 0.0009745600000000, -0.0086061900000000, 0.0000000000000000 ] - [ -0.0030977900000000, -0.0079376800000000, 0.0040158200000000 ] - [ -0.0017997300000000, -0.0069011700000000, -0.0016634200000000 ] - [ -0.0005813100000000, -0.0066848700000000, -0.0005102400000000 ] - [ -0.0005895500000000, -0.0068258200000000, -0.0002902200000000 ] - [ 0.0027698500000000, 0.0075539200000000, -0.0032489400000000 ] - [ 0.0002660100000000, 0.0069260800000000, -0.0006588300000000 ] - [ 0.0007391100000000, 0.0068757300000000, -0.0005396000000000 ] - [ 0.0002754100000000, 0.0067873000000000, -0.0004683400000000 ] - [ -0.0016678300000000, 0.0039337200000000, 0.0011211800000000 ] - [ -0.0006238100000000, 0.0069500700000000, 0.0006155000000000 ] - [ -0.0002827200000000, 0.0068830000000000, 0.0001751500000000 ] - [ -0.0006212100000000, 0.0068708100000000, 0.0004693300000000 ] - [ 0.0007376600000000, -0.0072196400000000, 0.0007883000000000 ] - [ -0.0008246900000000, -0.0067969200000000, 0.0012749300000000 ] - [ 0.0006060900000000, -0.0072774200000000, 0.0006374600000000 ] - [ 0.0004618000000000, -0.0067205000000000, 0.0001768800000000 ] - [ -0.0016678300000000, 0.0039337200000000, -0.0011211800000000 ] - [ -0.0006238100000000, 0.0069500700000000, -0.0006155000000000 ] - [ -0.0002827200000000, 0.0068830000000000, -0.0001751500000000 ] - [ -0.0006212100000000, 0.0068708100000000, -0.0004693300000000 ] - [ 0.0007376600000000, -0.0072196400000000, -0.0007883000000000 ] - [ -0.0008246900000000, -0.0067969200000000, -0.0012749300000000 ] - [ 0.0006060900000000, -0.0072774200000000, -0.0006374600000000 ] - [ 0.0004618000000000, -0.0067205000000000, -0.0001768800000000 ] - [ -0.0030977900000000, -0.0079376800000000, -0.0040158200000000 ] - [ -0.0017997300000000, -0.0069011700000000, 0.0016634200000000 ] - [ -0.0005813100000000, -0.0066848700000000, 0.0005102400000000 ] - [ -0.0005895500000000, -0.0068258200000000, 0.0002902200000000 ] - [ 0.0027698500000000, 0.0075539200000000, 0.0032489400000000 ] - [ 0.0002660100000000, 0.0069260800000000, 0.0006588300000000 ] - [ 0.0007391100000000, 0.0068757300000000, 0.0005396000000000 ] - [ 0.0002754100000000, 0.0067873000000000, 0.0004683400000000 ] - [ -0.0566734900000000, -0.0150814200000000, 0.0160694300000000 ] - [ 0.0002240600000000, -0.0003197200000000, -0.0064503000000000 ] - [ -0.0014521800000000, -0.0021202900000000, -0.0066818200000000 ] - [ 0.0000499000000000, -0.0000914400000000, -0.0067512800000000 ] - [ -0.0001048200000000, 0.0001081400000000, 0.0065355000000000 ] - [ 0.0003055200000000, 0.0007682200000000, 0.0068467700000000 ] - [ -0.0000977200000000, 0.0001894600000000, 0.0067765200000000 ] - [ 0.0000109200000000, 0.0000605800000000, 0.0068469200000000 ] - [ -0.0566734900000000, -0.0150814200000000, -0.0160694300000000 ] - [ 0.0002240600000000, -0.0003197200000000, 0.0064503000000000 ] - [ -0.0014521800000000, -0.0021202900000000, 0.0066818200000000 ] - [ 0.0000499000000000, -0.0000914400000000, 0.0067512800000000 ] - [ -0.0001048200000000, 0.0001081400000000, -0.0065355000000000 ] - [ 0.0003055200000000, 0.0007682200000000, -0.0068467700000000 ] - [ -0.0000977200000000, 0.0001894600000000, -0.0067765200000000 ] - [ 0.0000109200000000, 0.0000605800000000, -0.0068469200000000 ] - [ -0.0021146100000000, -0.0004047700000000, 0.0000000000000000 ] - [ 0.0004139200000000, 0.0001292000000000, 0.0000000000000000 ] - [ -0.0022753800000000, -0.0003645000000000, 0.0000000000000000 ] - [ -0.0027872800000000, -0.0004618300000000, 0.0000000000000000 ] - [ 0.0020541100000000, -0.0043808700000000, 0.0000000000000000 ] - [ 0.0027446000000000, 0.0004105500000000, 0.0000000000000000 ] - [ 0.0022155400000000, 0.0006776300000000, 0.0000000000000000 ] - [ 0.0027813300000000, 0.0003730900000000, 0.0000000000000000 ] - [ -0.0100609100000000, 0.0081075400000000, 0.0000000000000000 ] - [ -0.0022069100000000, 0.0004176500000000, 0.0000000000000000 ] - [ -0.0027646800000000, -0.0005041800000000, 0.0000000000000000 ] - [ -0.0023936700000000, 0.0004118100000000, 0.0000000000000000 ] - [ 0.0018139200000000, -0.0009287200000000, 0.0000000000000000 ] - [ 0.0036624500000000, -0.0004029000000000, 0.0000000000000000 ] - [ 0.0023500700000000, -0.0002304200000000, 0.0000000000000000 ] - [ 0.0027749500000000, -0.0002951300000000, 0.0000000000000000 ] - [ -0.0091507300000000, -0.0054098700000000, -0.0007360700000000 ] - [ -0.0071482900000000, -0.0065666000000000, -0.0001811400000000 ] - [ -0.0091507300000000, -0.0054098700000000, 0.0007360700000000 ] - [ -0.0071482900000000, -0.0065666000000000, 0.0001811400000000 ] - [ 0.0068813600000000, 0.0063394000000000, -0.0001930000000000 ] - [ 0.0077650600000000, 0.0067536500000000, -0.0002731800000000 ] - [ 0.0068813600000000, 0.0063394000000000, 0.0001930000000000 ] - [ 0.0077650600000000, 0.0067536500000000, 0.0002731800000000 ] - [ -0.0062522600000000, 0.0073370200000000, -0.0002383200000000 ] - [ -0.0075222600000000, 0.0067193600000000, -0.0008223000000000 ] - [ -0.0062522600000000, 0.0073370200000000, 0.0002383200000000 ] - [ -0.0075222600000000, 0.0067193600000000, 0.0008223000000000 ] - [ 0.0077969600000000, -0.0066572700000000, -0.0013542900000000 ] - [ 0.0078638000000000, -0.0067937100000000, -0.0000675700000000 ] - [ 0.0077969600000000, -0.0066572700000000, 0.0013542900000000 ] - [ 0.0078638000000000, -0.0067937100000000, 0.0000675700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0025564300000000, -0.0008457700000000, 0.0001935100000000 ] - [ 0.0036049100000000, -0.0004443000000000, 0.0000866700000000 ] - [ 0.0025564300000000, -0.0008457700000000, -0.0001935100000000 ] - [ 0.0036049100000000, -0.0004443000000000, -0.0000866700000000 ] - [ -0.0006337900000000, -0.0048062300000000, 0.0091912100000000 ] - [ -0.0036823500000000, 0.0000607900000000, -0.0000225900000000 ] - [ -0.0006337900000000, -0.0048062300000000, -0.0091912100000000 ] - [ -0.0036823500000000, 0.0000607900000000, 0.0000225900000000 ] - [ 0.0034506500000000, 0.0002536900000000, -0.0000728100000000 ] - [ 0.0039590800000000, -0.0000198600000000, -0.0003304000000000 ] - [ 0.0034506500000000, 0.0002536900000000, 0.0000728100000000 ] - [ 0.0039590800000000, -0.0000198600000000, 0.0003304000000000 ] - [ -0.0038658100000000, 0.0001830400000000, -0.0001500200000000 ] - [ -0.0036787500000000, 0.0005028800000000, -0.0002181400000000 ] - [ -0.0038658100000000, 0.0001830400000000, 0.0001500200000000 ] - [ -0.0036787500000000, 0.0005028800000000, 0.0002181400000000 ] - [ -0.0397838300000000, -0.1211040000000000, 0.0000000000000000 ] - [ -0.0010647000000000, -0.0086738700000000, 0.0000000000000000 ] - [ -0.0030860700000000, -0.0104472000000000, 0.0000000000000000 ] - [ -0.0009937300000000, -0.0086729700000000, 0.0000000000000000 ] - [ 0.0097896800000000, 0.0163411000000000, 0.0000000000000000 ] - [ 0.0010674800000000, 0.0080130600000000, 0.0000000000000000 ] - [ 0.0004176000000000, 0.0080193000000000, 0.0000000000000000 ] - [ 0.0010064400000000, 0.0085853800000000, 0.0000000000000000 ] - [ -0.0018911600000000, 0.0089180200000000, 0.0000000000000000 ] - [ -0.0010182200000000, 0.0089222700000000, 0.0000000000000000 ] - [ -0.0010484600000000, 0.0086181000000000, 0.0000000000000000 ] - [ -0.0009333100000000, 0.0086188600000000, 0.0000000000000000 ] - [ 0.0044889700000000, -0.0043936400000000, 0.0000000000000000 ] - [ 0.0010144700000000, -0.0086036200000000, 0.0000000000000000 ] - [ 0.0008938400000000, -0.0084303400000000, 0.0000000000000000 ] - [ 0.0009673500000000, -0.0084668500000000, 0.0000000000000000 ] - [ -0.0049699800000000, -0.0086984100000000, 0.0053402800000000 ] - [ 0.0003978700000000, -0.0068304200000000, 0.0003738100000000 ] - [ -0.0007415700000000, -0.0075715600000000, -0.0010964600000000 ] - [ -0.0003334000000000, -0.0070371100000000, -0.0005678000000000 ] - [ 0.0035011200000000, 0.0076521200000000, -0.0025574400000000 ] - [ 0.0008275600000000, 0.0068876100000000, -0.0002914400000000 ] - [ 0.0004649700000000, 0.0069735200000000, -0.0004026000000000 ] - [ 0.0007978700000000, 0.0069691200000000, -0.0004176100000000 ] - [ 0.0024291400000000, 0.0082222700000000, -0.0014965700000000 ] - [ -0.0006179600000000, 0.0069493700000000, 0.0003740200000000 ] - [ -0.0004657900000000, 0.0069519100000000, 0.0008208700000000 ] - [ -0.0004689500000000, 0.0071619400000000, 0.0005720200000000 ] - [ -0.0007225600000000, -0.0065442900000000, -0.0007488600000000 ] - [ 0.0003208900000000, -0.0053098500000000, 0.0015340700000000 ] - [ 0.0005238000000000, -0.0064943800000000, 0.0003487100000000 ] - [ 0.0005463400000000, -0.0068179200000000, 0.0005056100000000 ] - [ 0.0024291400000000, 0.0082222700000000, 0.0014965700000000 ] - [ -0.0006179600000000, 0.0069493700000000, -0.0003740200000000 ] - [ -0.0004657900000000, 0.0069519100000000, -0.0008208700000000 ] - [ -0.0004689500000000, 0.0071619400000000, -0.0005720200000000 ] - [ -0.0007225600000000, -0.0065442900000000, 0.0007488600000000 ] - [ 0.0003208900000000, -0.0053098500000000, -0.0015340700000000 ] - [ 0.0005238000000000, -0.0064943800000000, -0.0003487100000000 ] - [ 0.0005463400000000, -0.0068179200000000, -0.0005056100000000 ] - [ -0.0049699800000000, -0.0086984100000000, -0.0053402800000000 ] - [ 0.0003978700000000, -0.0068304200000000, -0.0003738100000000 ] - [ -0.0007415700000000, -0.0075715600000000, 0.0010964600000000 ] - [ -0.0003334000000000, -0.0070371100000000, 0.0005678000000000 ] - [ 0.0035011200000000, 0.0076521200000000, 0.0025574400000000 ] - [ 0.0008275600000000, 0.0068876100000000, 0.0002914400000000 ] - [ 0.0004649700000000, 0.0069735200000000, 0.0004026000000000 ] - [ 0.0007978700000000, 0.0069691200000000, 0.0004176100000000 ] - [ 0.0169226800000000, 0.0469527500000000, -0.0198954300000000 ] - [ -0.0002392300000000, 0.0005604800000000, -0.0064881600000000 ] - [ 0.0019970100000000, 0.0016415000000000, -0.0068297400000000 ] - [ -0.0000725000000000, 0.0002034100000000, -0.0065511900000000 ] - [ 0.0001045600000000, -0.0000712900000000, 0.0069536900000000 ] - [ -0.0017981200000000, -0.0014653900000000, 0.0074290000000000 ] - [ 0.0000618300000000, -0.0003386200000000, 0.0064469400000000 ] - [ -0.0001406800000000, -0.0002025000000000, 0.0064817900000000 ] - [ 0.0169226800000000, 0.0469527500000000, 0.0198954300000000 ] - [ -0.0002392300000000, 0.0005604800000000, 0.0064881600000000 ] - [ 0.0019970100000000, 0.0016415000000000, 0.0068297400000000 ] - [ -0.0000725000000000, 0.0002034100000000, 0.0065511900000000 ] - [ 0.0001045600000000, -0.0000712900000000, -0.0069536900000000 ] - [ -0.0017981200000000, -0.0014653900000000, -0.0074290000000000 ] - [ 0.0000618300000000, -0.0003386200000000, -0.0064469400000000 ] - [ -0.0001406800000000, -0.0002025000000000, -0.0064817900000000 ] - [ -0.0011506600000000, -0.0005321300000000, 0.0000000000000000 ] - [ -0.0049311500000000, 0.0000008800000000, 0.0000000000000000 ] - [ -0.0025900700000000, -0.0004328800000000, 0.0000000000000000 ] - [ -0.0026497800000000, -0.0002625200000000, 0.0000000000000000 ] - [ 0.0030310200000000, -0.0050684300000000, 0.0000000000000000 ] - [ 0.0027266100000000, 0.0003643500000000, 0.0000000000000000 ] - [ 0.0029693600000000, 0.0000528700000000, 0.0000000000000000 ] - [ 0.0024581200000000, 0.0003579500000000, 0.0000000000000000 ] - [ -0.0116849700000000, 0.0264869700000000, 0.0000000000000000 ] - [ -0.0026167800000000, 0.0003265200000000, 0.0000000000000000 ] - [ -0.0026274800000000, 0.0012911200000000, 0.0000000000000000 ] - [ -0.0026729700000000, 0.0004139100000000, 0.0000000000000000 ] - [ 0.0033935200000000, -0.0017285600000000, 0.0000000000000000 ] - [ 0.0025710900000000, -0.0005901900000000, 0.0000000000000000 ] - [ 0.0026951100000000, -0.0006644500000000, 0.0000000000000000 ] - [ 0.0024287800000000, -0.0004623900000000, 0.0000000000000000 ] - [ -0.0066745300000000, -0.0088243800000000, 0.0001196300000000 ] - [ -0.0076610100000000, -0.0067488600000000, 0.0000237800000000 ] - [ -0.0066745300000000, -0.0088243800000000, -0.0001196300000000 ] - [ -0.0076610100000000, -0.0067488600000000, -0.0000237800000000 ] - [ 0.0078154900000000, 0.0068825000000000, 0.0016478900000000 ] - [ 0.0073296700000000, 0.0065996900000000, 0.0001666100000000 ] - [ 0.0078154900000000, 0.0068825000000000, -0.0016478900000000 ] - [ 0.0073296700000000, 0.0065996900000000, -0.0001666100000000 ] - [ -0.0089267900000000, 0.0049517500000000, 0.0005328400000000 ] - [ -0.0075380700000000, 0.0065676400000000, -0.0002810600000000 ] - [ -0.0089267900000000, 0.0049517500000000, -0.0005328400000000 ] - [ -0.0075380700000000, 0.0065676400000000, 0.0002810600000000 ] - [ 0.0071661300000000, -0.0059942600000000, 0.0011559800000000 ] - [ 0.0078657900000000, -0.0064609100000000, 0.0002604000000000 ] - [ 0.0071661300000000, -0.0059942600000000, -0.0011559800000000 ] - [ 0.0078657900000000, -0.0064609100000000, -0.0002604000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0048813700000000, 0.0007410900000000, -0.0001934300000000 ] - [ 0.0038326100000000, 0.0003409900000000, -0.0000872500000000 ] - [ 0.0048813700000000, 0.0007410900000000, 0.0001934300000000 ] - [ 0.0038326100000000, 0.0003409900000000, 0.0000872500000000 ] - [ -0.0068080100000000, 0.0050039200000000, -0.0092261900000000 ] - [ -0.0037508200000000, 0.0000392100000000, 0.0000230100000000 ] - [ -0.0068080100000000, 0.0050039200000000, 0.0092261900000000 ] - [ -0.0037508200000000, 0.0000392100000000, -0.0000230100000000 ] - [ 0.0039842700000000, -0.0001573600000000, 0.0000738900000000 ] - [ 0.0034734200000000, 0.0001196800000000, 0.0003286900000000 ] - [ 0.0039842700000000, -0.0001573600000000, -0.0000738900000000 ] - [ 0.0034734200000000, 0.0001196800000000, -0.0003286900000000 ] - [ -0.0035711500000000, -0.0002844000000000, 0.0001477300000000 ] - [ -0.0037551700000000, -0.0005935200000000, 0.0002175100000000 ] - [ -0.0035711500000000, -0.0002844000000000, -0.0001477300000000 ] - [ -0.0037551700000000, -0.0005935200000000, -0.0002175100000000 ] - [ 0.0392194300000000, 0.1025350300000000, 0.0000000000000000 ] - [ -0.0009203200000000, -0.0084880100000000, 0.0000000000000000 ] - [ 0.0010951700000000, -0.0067254000000000, 0.0000000000000000 ] - [ -0.0009911800000000, -0.0084884500000000, 0.0000000000000000 ] - [ -0.0079756900000000, 0.0007988300000000, 0.0000000000000000 ] - [ 0.0009215600000000, 0.0091495000000000, 0.0000000000000000 ] - [ 0.0015668600000000, 0.0091440300000000, 0.0000000000000000 ] - [ 0.0009788000000000, 0.0085746200000000, 0.0000000000000000 ] - [ -0.0001004200000000, 0.0082469600000000, 0.0000000000000000 ] - [ -0.0009724100000000, 0.0082511800000000, 0.0000000000000000 ] - [ -0.0009348100000000, 0.0085415500000000, 0.0000000000000000 ] - [ -0.0010523300000000, 0.0085425600000000, 0.0000000000000000 ] - [ -0.0024886200000000, -0.0127675100000000, 0.0000000000000000 ] - [ 0.0009718200000000, -0.0085563700000000, 0.0000000000000000 ] - [ 0.0010900800000000, -0.0087304700000000, 0.0000000000000000 ] - [ 0.0010178700000000, -0.0086928900000000, 0.0000000000000000 ] - [ 0.0038976300000000, -0.0051229800000000, -0.0062733400000000 ] - [ -0.0013924600000000, -0.0069918300000000, -0.0013233800000000 ] - [ -0.0002623000000000, -0.0062538100000000, 0.0001341600000000 ] - [ -0.0006686100000000, -0.0067829300000000, -0.0003949000000000 ] - [ -0.0025452700000000, 0.0060686900000000, 0.0017407600000000 ] - [ 0.0001793900000000, 0.0069279400000000, -0.0006663500000000 ] - [ 0.0005377500000000, 0.0068438000000000, -0.0005576400000000 ] - [ 0.0002086500000000, 0.0068487600000000, -0.0005405700000000 ] - [ -0.0034067500000000, 0.0056473100000000, 0.0024324700000000 ] - [ -0.0003840700000000, 0.0068644800000000, 0.0005871800000000 ] - [ -0.0005386100000000, 0.0068657400000000, 0.0001426400000000 ] - [ -0.0005338200000000, 0.0066543800000000, 0.0003867600000000 ] - [ 0.0017196600000000, -0.0072706100000000, 0.0017017500000000 ] - [ 0.0006955100000000, -0.0085084200000000, -0.0005849200000000 ] - [ 0.0004770200000000, -0.0073172100000000, 0.0006085900000000 ] - [ 0.0004580700000000, -0.0070017100000000, 0.0004572600000000 ] - [ -0.0034067500000000, 0.0056473100000000, -0.0024324700000000 ] - [ -0.0003840700000000, 0.0068644800000000, -0.0005871800000000 ] - [ -0.0005386100000000, 0.0068657400000000, -0.0001426400000000 ] - [ -0.0005338200000000, 0.0066543800000000, -0.0003867600000000 ] - [ 0.0017196600000000, -0.0072706100000000, -0.0017017500000000 ] - [ 0.0006955100000000, -0.0085084200000000, 0.0005849200000000 ] - [ 0.0004770200000000, -0.0073172100000000, -0.0006085900000000 ] - [ 0.0004580700000000, -0.0070017100000000, -0.0004572600000000 ] - [ 0.0038976300000000, -0.0051229800000000, 0.0062733400000000 ] - [ -0.0013924600000000, -0.0069918300000000, 0.0013233800000000 ] - [ -0.0002623000000000, -0.0062538100000000, -0.0001341600000000 ] - [ -0.0006686100000000, -0.0067829300000000, 0.0003949000000000 ] - [ -0.0025452700000000, 0.0060686900000000, -0.0017407600000000 ] - [ 0.0001793900000000, 0.0069279400000000, 0.0006663500000000 ] - [ 0.0005377500000000, 0.0068438000000000, 0.0005576400000000 ] - [ 0.0002086500000000, 0.0068487600000000, 0.0005405700000000 ] - [ -0.0173189700000000, -0.0471319400000000, 0.0071075800000000 ] - [ 0.0002372500000000, -0.0005571200000000, -0.0067668300000000 ] - [ -0.0020010600000000, -0.0016421800000000, -0.0064562200000000 ] - [ 0.0000722200000000, -0.0002023700000000, -0.0067026200000000 ] - [ -0.0001043100000000, 0.0000688000000000, 0.0063025700000000 ] - [ 0.0017962600000000, 0.0014561700000000, 0.0058339100000000 ] - [ -0.0000587200000000, 0.0003349600000000, 0.0068079100000000 ] - [ 0.0001395900000000, 0.0002005600000000, 0.0067703400000000 ] - [ -0.0173189700000000, -0.0471319400000000, -0.0071075800000000 ] - [ 0.0002372500000000, -0.0005571200000000, 0.0067668300000000 ] - [ -0.0020010600000000, -0.0016421800000000, 0.0064562200000000 ] - [ 0.0000722200000000, -0.0002023700000000, 0.0067026200000000 ] - [ -0.0001043100000000, 0.0000688000000000, -0.0063025700000000 ] - [ 0.0017962600000000, 0.0014561700000000, -0.0058339100000000 ] - [ -0.0000587200000000, 0.0003349600000000, -0.0068079100000000 ] - [ 0.0001395900000000, 0.0002005600000000, -0.0067703400000000 ] - [ -0.0040522900000000, -0.0002103700000000, 0.0000000000000000 ] - [ -0.0002838500000000, -0.0007524200000000, 0.0000000000000000 ] - [ -0.0026022200000000, -0.0003207900000000, 0.0000000000000000 ] - [ -0.0025353400000000, -0.0004922000000000, 0.0000000000000000 ] - [ 0.0021479000000000, 0.0058264900000000, 0.0000000000000000 ] - [ 0.0024583200000000, 0.0003860600000000, 0.0000000000000000 ] - [ 0.0022223500000000, 0.0006966500000000, 0.0000000000000000 ] - [ 0.0027270900000000, 0.0003946800000000, 0.0000000000000000 ] - [ 0.0062418600000000, -0.0239033100000000, 0.0000000000000000 ] - [ -0.0025719200000000, 0.0004280000000000, 0.0000000000000000 ] - [ -0.0025592100000000, -0.0005275900000000, 0.0000000000000000 ] - [ -0.0025153000000000, 0.0003392100000000, 0.0000000000000000 ] - [ 0.0018190100000000, 0.0009268200000000, 0.0000000000000000 ] - [ 0.0026040000000000, -0.0001608700000000, 0.0000000000000000 ] - [ 0.0024947000000000, -0.0000954700000000, 0.0000000000000000 ] - [ 0.0027542500000000, -0.0002927900000000, 0.0000000000000000 ] - [ -0.0083759300000000, -0.0044559700000000, -0.0001023800000000 ] - [ -0.0074208700000000, -0.0065095600000000, -0.0000217400000000 ] - [ -0.0083759300000000, -0.0044559700000000, 0.0001023800000000 ] - [ -0.0074208700000000, -0.0065095600000000, 0.0000217400000000 ] - [ 0.0072687600000000, 0.0063951400000000, -0.0016399400000000 ] - [ 0.0077471000000000, 0.0066550000000000, -0.0001654400000000 ] - [ 0.0072687600000000, 0.0063951400000000, 0.0016399400000000 ] - [ 0.0077471000000000, 0.0066550000000000, 0.0001654400000000 ] - [ -0.0061799100000000, 0.0082813500000000, -0.0005313100000000 ] - [ -0.0075397500000000, 0.0066869900000000, 0.0002884700000000 ] - [ -0.0061799100000000, 0.0082813500000000, 0.0005313100000000 ] - [ -0.0075397500000000, 0.0066869900000000, -0.0002884700000000 ] - [ 0.0079129100000000, -0.0072569400000000, -0.0011440300000000 ] - [ 0.0072095400000000, -0.0067927000000000, -0.0002596800000000 ] - [ 0.0079129100000000, -0.0072569400000000, 0.0011440300000000 ] - [ 0.0072095400000000, -0.0067927000000000, 0.0002596800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0034138200000000, -0.0005755700000000, 0.0020959100000000 ] - [ 0.0039367800000000, -0.0001620700000000, 0.0000258600000000 ] - [ 0.0040065800000000, 0.0004653500000000, 0.0020907800000000 ] - [ 0.0035017600000000, 0.0000645900000000, 0.0000262100000000 ] - [ 0.0038946100000000, 0.0085519400000000, 0.0086973400000000 ] - [ -0.0038317200000000, 0.0000153100000000, 0.0000222600000000 ] - [ -0.0115535100000000, -0.0086717500000000, 0.0089498300000000 ] - [ -0.0036053500000000, 0.0000808700000000, 0.0000221000000000 ] - [ 0.0038241800000000, -0.0001474800000000, -0.0000211700000000 ] - [ 0.0038067400000000, -0.0001898300000000, -0.0000254500000000 ] - [ 0.0036146900000000, 0.0002441200000000, -0.0000223200000000 ] - [ 0.0036253800000000, 0.0002922300000000, -0.0000297000000000 ] - [ -0.0042858300000000, 0.0001933900000000, 0.0000307700000000 ] - [ -0.0036367400000000, 0.0009417600000000, 0.0001447100000000 ] - [ -0.0031501000000000, -0.0002950500000000, 0.0000303600000000 ] - [ -0.0037966500000000, -0.0010421700000000, 0.0001430300000000 ] - [ 0.0011988000000000, -0.0070692400000000, -0.1501293300000000 ] - [ -0.0009923800000000, -0.0085801100000000, -0.0000976400000000 ] - [ -0.0009903100000000, -0.0085784200000000, 0.0044730700000000 ] - [ -0.0009923300000000, -0.0085802000000000, 0.0001285000000000 ] - [ 0.0010811700000000, 0.0086444500000000, -0.0059272100000000 ] - [ 0.0009895100000000, 0.0085830400000000, -0.0000941100000000 ] - [ 0.0010003600000000, 0.0085863000000000, 0.0005794500000000 ] - [ 0.0009927800000000, 0.0085806200000000, 0.0001599200000000 ] - [ -0.0009909200000000, 0.0085801300000000, -0.0002708300000000 ] - [ -0.0009930800000000, 0.0085752700000000, -0.0002705500000000 ] - [ -0.0009928200000000, 0.0085811000000000, 0.0004017700000000 ] - [ -0.0009930300000000, 0.0085805900000000, 0.0004020700000000 ] - [ 0.0009887200000000, -0.0085818000000000, 0.0003454700000000 ] - [ 0.0009930800000000, -0.0085808100000000, -0.0001689100000000 ] - [ 0.0009923900000000, -0.0085818200000000, 0.0002624800000000 ] - [ 0.0009936200000000, -0.0085814000000000, 0.0001815800000000 ] - [ -0.0009387400000000, -0.0078713100000000, -0.0000785600000000 ] - [ -0.0007245300000000, -0.0068950700000000, -0.0008040300000000 ] - [ -0.0003594200000000, -0.0072697900000000, -0.0000172300000000 ] - [ -0.0005966700000000, -0.0070140800000000, -0.0002947900000000 ] - [ 0.0010442100000000, 0.0072659000000000, -0.0012676300000000 ] - [ 0.0001482100000000, 0.0068033700000000, -0.0010045500000000 ] - [ 0.0001167900000000, 0.0069313100000000, 0.0002476600000000 ] - [ 0.0008270900000000, 0.0069894900000000, -0.0000274900000000 ] - [ -0.0015721300000000, 0.0029605100000000, 0.0003897500000000 ] - [ -0.0003567700000000, 0.0070031900000000, 0.0001978500000000 ] - [ -0.0006476700000000, 0.0071094000000000, 0.0008193800000000 ] - [ -0.0006581600000000, 0.0067504900000000, 0.0006975600000000 ] - [ 0.0003645800000000, -0.0063828900000000, -0.0003064300000000 ] - [ 0.0003912900000000, -0.0078393500000000, 0.0000176000000000 ] - [ 0.0004861200000000, -0.0078647300000000, 0.0013045000000000 ] - [ 0.0005262000000000, -0.0067784100000000, 0.0005907500000000 ] - [ 0.0005861100000000, 0.0108940600000000, -0.0005839100000000 ] - [ -0.0006429200000000, 0.0068117300000000, -0.0007612300000000 ] - [ -0.0003607600000000, 0.0067115400000000, -0.0001424800000000 ] - [ -0.0003440100000000, 0.0070639300000000, -0.0002594000000000 ] - [ 0.0006423600000000, -0.0074419400000000, -0.0012739900000000 ] - [ 0.0006066900000000, -0.0059699300000000, -0.0009442300000000 ] - [ 0.0005079000000000, -0.0059682900000000, 0.0003398300000000 ] - [ 0.0004742100000000, -0.0070411700000000, -0.0003668700000000 ] - [ -0.0000393700000000, -0.0059746200000000, 0.0009124600000000 ] - [ -0.0002922800000000, -0.0069257600000000, 0.0001697100000000 ] - [ -0.0006402600000000, -0.0065491000000000, 0.0009395700000000 ] - [ -0.0004044600000000, -0.0068053400000000, 0.0006654400000000 ] - [ -0.0000217000000000, 0.0065693700000000, -0.0002784500000000 ] - [ 0.0008502200000000, 0.0070170500000000, -0.0000457500000000 ] - [ 0.0008891300000000, 0.0068895200000000, 0.0012132700000000 ] - [ 0.0001752900000000, 0.0068304200000000, 0.0009324200000000 ] - [ -0.0383553500000000, -0.0227072500000000, 0.0621360000000000 ] - [ 0.0000570900000000, -0.0001325600000000, -0.0065705800000000 ] - [ 0.0014507200000000, 0.0016772100000000, -0.0131209000000000 ] - [ -0.0000167100000000, 0.0000693100000000, -0.0067832100000000 ] - [ 0.0000747800000000, -0.0002829200000000, 0.0070202500000000 ] - [ 0.0003163300000000, 0.0009058800000000, 0.0075993200000000 ] - [ -0.0002499900000000, 0.0004814800000000, 0.0062931200000000 ] - [ 0.0000742500000000, -0.0000318900000000, 0.0062679600000000 ] - [ 0.0362687300000000, 0.0213797400000000, 0.0721721300000000 ] - [ -0.0000542800000000, 0.0001254200000000, 0.0066849200000000 ] - [ -0.0014886100000000, -0.0017126000000000, 0.0000959000000000 ] - [ 0.0000169200000000, -0.0000700700000000, 0.0064750500000000 ] - [ -0.0000739200000000, 0.0002858500000000, -0.0062347600000000 ] - [ -0.0003117800000000, -0.0009108000000000, -0.0056472400000000 ] - [ 0.0002553900000000, -0.0004793500000000, -0.0069686700000000 ] - [ -0.0000720800000000, 0.0000333200000000, -0.0069898100000000 ] - [ -0.0026049100000000, -0.0003771500000000, 0.0007276200000000 ] - [ -0.0025754100000000, -0.0003771700000000, 0.0009067800000000 ] - [ -0.0025968900000000, -0.0003760500000000, -0.0007050300000000 ] - [ -0.0025914400000000, -0.0003785200000000, -0.0003327100000000 ] - [ 0.0026025100000000, 0.0003652400000000, 0.0002095300000000 ] - [ 0.0025950000000000, 0.0003791900000000, 0.0009023100000000 ] - [ 0.0025952500000000, 0.0003772100000000, -0.0006689000000000 ] - [ 0.0025937700000000, 0.0003776700000000, -0.0009705400000000 ] - [ -0.0026075600000000, 0.0003736400000000, 0.0049084800000000 ] - [ -0.0025942100000000, 0.0003771800000000, 0.0002211500000000 ] - [ -0.0025913400000000, 0.0003783000000000, -0.0004671100000000 ] - [ -0.0025940600000000, 0.0003763200000000, -0.0003087000000000 ] - [ 0.0025901200000000, -0.0003784400000000, 0.0012449700000000 ] - [ 0.0025970700000000, -0.0003766900000000, 0.0003814200000000 ] - [ 0.0025894500000000, -0.0003778600000000, -0.0013622200000000 ] - [ 0.0025929900000000, -0.0003759600000000, -0.0002252300000000 ] - [ -0.0050512700000000, -0.0097810600000000, 0.0000657600000000 ] - [ -0.0079401100000000, -0.0067415700000000, -0.0000164400000000 ] - [ -0.0100481800000000, -0.0034617000000000, 0.0000698200000000 ] - [ -0.0071379600000000, -0.0065126000000000, -0.0000167800000000 ] - [ 0.0072775700000000, 0.0076255000000000, 0.0000144200000000 ] - [ 0.0075657900000000, 0.0066325500000000, 0.0000636200000000 ] - [ 0.0078040000000000, 0.0056436000000000, 0.0000197900000000 ] - [ 0.0075131600000000, 0.0066236900000000, 0.0000678900000000 ] - [ -0.0116476000000000, 0.0037889900000000, 0.0004396200000000 ] - [ -0.0073870500000000, 0.0067117600000000, 0.0000718200000000 ] - [ -0.0033963900000000, 0.0094719600000000, 0.0004510800000000 ] - [ -0.0076873000000000, 0.0065467900000000, 0.0000740900000000 ] - [ 0.0084360700000000, -0.0061431600000000, -0.0007314900000000 ] - [ 0.0071782200000000, -0.0062425300000000, 0.0000627900000000 ] - [ 0.0066517200000000, -0.0071185300000000, -0.0007318800000000 ] - [ 0.0078907200000000, -0.0070142600000000, 0.0000675900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0036287900000000, 0.0000860000000000, 0.0000041900000000 ] - [ 0.0041060200000000, 0.0001690000000000, -0.0000188800000000 ] - [ 0.0079435500000000, -0.0047950700000000, 0.0019920400000000 ] - [ 0.0060103900000000, 0.0010995700000000, 0.0004440900000000 ] - [ -0.0042108200000000, -0.0001234200000000, -0.0002500900000000 ] - [ -0.0034735800000000, 0.0001534000000000, 0.0003093900000000 ] - [ -0.0053787500000000, 0.0023031400000000, 0.0004957200000000 ] - [ -0.0033878000000000, 0.0002395400000000, -0.0003281000000000 ] - [ 0.0034000200000000, -0.0003400600000000, 0.0001883900000000 ] - [ 0.0041623800000000, 0.0000885000000000, -0.0002977000000000 ] - [ 0.0033548300000000, -0.0016692500000000, -0.0029964800000000 ] - [ 0.0040336200000000, 0.0001212200000000, 0.0001447400000000 ] - [ -0.0036868700000000, -0.0001370200000000, -0.0000455700000000 ] - [ -0.0036325400000000, -0.0002191000000000, 0.0006717100000000 ] - [ -0.0031361100000000, -0.0004310600000000, 0.0002704500000000 ] - [ -0.0034657900000000, -0.0001166300000000, -0.0005067400000000 ] - [ 0.0016053700000000, -0.0130797000000000, -0.0004963800000000 ] - [ 0.0003133500000000, -0.0076885900000000, -0.0002135300000000 ] - [ -0.0009155300000000, -0.0088200700000000, 0.0001381300000000 ] - [ -0.0009047000000000, -0.0084133700000000, -0.0000961700000000 ] - [ -0.0012826500000000, 0.0116185900000000, -0.0005335300000000 ] - [ 0.0012305800000000, 0.0089035600000000, 0.0003491200000000 ] - [ 0.0007547300000000, 0.0085444600000000, 0.0003861000000000 ] - [ 0.0012189500000000, 0.0088744000000000, -0.0003258300000000 ] - [ 0.0001706800000000, 0.0056846600000000, 0.0010609900000000 ] - [ -0.0008724900000000, 0.0086967900000000, -0.0001412900000000 ] - [ -0.0012119900000000, 0.0085420100000000, 0.0001421500000000 ] - [ -0.0008724000000000, 0.0085488000000000, 0.0001559900000000 ] - [ 0.0023242200000000, -0.0084000600000000, -0.0001078700000000 ] - [ 0.0007631700000000, -0.0073631100000000, -0.0001408200000000 ] - [ 0.0010327100000000, -0.0086245700000000, 0.0000256800000000 ] - [ 0.0008860500000000, -0.0086013300000000, -0.0000044400000000 ] - [ -0.0908917500000000, 0.0360588100000000, -0.0410137000000000 ] - [ -0.0000849500000000, -0.0067389800000000, -0.0004484400000000 ] - [ -0.0013978200000000, -0.0072764000000000, -0.0005568200000000 ] - [ -0.0001305700000000, -0.0065919300000000, -0.0004379000000000 ] - [ -0.0012474100000000, -0.0062878600000000, -0.0011133000000000 ] - [ 0.0009496600000000, 0.0067150600000000, -0.0008922000000000 ] - [ 0.0005538800000000, 0.0069585600000000, -0.0003949800000000 ] - [ 0.0004085000000000, 0.0068314900000000, -0.0003398600000000 ] - [ 0.0030147800000000, 0.0052889500000000, -0.0022456400000000 ] - [ 0.0030122300000000, 0.0023441400000000, 0.0034264400000000 ] - [ 0.0000213800000000, 0.0068458300000000, 0.0006710900000000 ] - [ 0.0000318700000000, 0.0040019600000000, -0.0017031500000000 ] - [ -0.0009759700000000, -0.0072728700000000, -0.0000587400000000 ] - [ 0.0008897600000000, -0.0069061400000000, 0.0003330300000000 ] - [ -0.0003434200000000, -0.0071441300000000, 0.0006620000000000 ] - [ 0.0006758200000000, -0.0069784500000000, 0.0006264000000000 ] - [ -0.0007000300000000, 0.0075186400000000, -0.0003714300000000 ] - [ -0.0007090000000000, 0.0060307600000000, -0.0007846100000000 ] - [ -0.0001073300000000, 0.0069542800000000, -0.0002591300000000 ] - [ -0.0001073600000000, 0.0059747300000000, 0.0004518900000000 ] - [ -0.0004898900000000, -0.0070959700000000, -0.0004089600000000 ] - [ 0.0008920600000000, -0.0068831800000000, -0.0003230200000000 ] - [ 0.0000360300000000, -0.0070357600000000, -0.0002332100000000 ] - [ 0.0007790400000000, -0.0069512600000000, -0.0005272700000000 ] - [ -0.0053209900000000, -0.0074423100000000, 0.0024326600000000 ] - [ -0.0001926100000000, -0.0069057900000000, 0.0004160300000000 ] - [ -0.0016115000000000, -0.0085416600000000, 0.0008820200000000 ] - [ -0.0002432700000000, -0.0067458800000000, 0.0004456900000000 ] - [ 0.0001577000000000, 0.0075381100000000, -0.0001720800000000 ] - [ 0.0007685700000000, 0.0067614800000000, 0.0007319800000000 ] - [ 0.0010641300000000, 0.0075490800000000, 0.0017083500000000 ] - [ 0.0004297800000000, 0.0069002800000000, 0.0004117800000000 ] - [ 0.0588682000000000, -0.0376623400000000, -0.0026684700000000 ] - [ 0.0003473500000000, -0.0004958600000000, -0.0068603500000000 ] - [ -0.0000037600000000, -0.0001431200000000, -0.0069661400000000 ] - [ 0.0000127800000000, -0.0000806500000000, -0.0067240200000000 ] - [ 0.0010421700000000, 0.0020297000000000, 0.0052844000000000 ] - [ -0.0007633900000000, -0.0006678600000000, 0.0074011000000000 ] - [ 0.0006718700000000, 0.0005991000000000, 0.0071963400000000 ] - [ -0.0002180900000000, -0.0001255100000000, 0.0062230500000000 ] - [ 0.0009723100000000, -0.0010812100000000, 0.0070803400000000 ] - [ 0.0000308800000000, -0.0002771000000000, 0.0061325800000000 ] - [ 0.0002471600000000, 0.0002231500000000, 0.0062797700000000 ] - [ 0.0000184800000000, -0.0004747800000000, 0.0074195300000000 ] - [ -0.0007121600000000, 0.0013227400000000, -0.0054314600000000 ] - [ -0.0003859100000000, 0.0001185100000000, -0.0072014500000000 ] - [ 0.0004715000000000, 0.0003431500000000, -0.0069036200000000 ] - [ -0.0000170100000000, -0.0001566700000000, -0.0065543300000000 ] - [ 0.0181889600000000, 0.0068194200000000, 0.0176508200000000 ] - [ -0.0035948900000000, -0.0002596300000000, -0.0001419000000000 ] - [ -0.0013450000000000, -0.0005672000000000, 0.0002154400000000 ] - [ -0.0031790500000000, -0.0002943600000000, 0.0000467400000000 ] - [ -0.0002859200000000, 0.0002848000000000, 0.0025373900000000 ] - [ 0.0023189200000000, -0.0007889100000000, -0.0000982100000000 ] - [ 0.0020976100000000, 0.0004786100000000, -0.0003171100000000 ] - [ 0.0029036200000000, 0.0004296600000000, -0.0000479400000000 ] - [ -0.0056948000000000, 0.0022118900000000, 0.0018214700000000 ] - [ -0.0048366600000000, 0.0008291200000000, 0.0007468000000000 ] - [ -0.0029370500000000, 0.0006003400000000, -0.0008006300000000 ] - [ -0.0035561700000000, 0.0000793500000000, 0.0001967000000000 ] - [ 0.0051023700000000, -0.0003844700000000, 0.0010977700000000 ] - [ 0.0020137600000000, -0.0005458400000000, -0.0000396500000000 ] - [ 0.0032109400000000, -0.0003350200000000, -0.0005686700000000 ] - [ 0.0023072500000000, -0.0005200800000000, -0.0000718800000000 ] - [ -0.0073515500000000, -0.0064820800000000, 0.0000769600000000 ] - [ -0.0078455300000000, -0.0066389200000000, -0.0000809100000000 ] - [ -0.0062112900000000, -0.0062131400000000, -0.0027213500000000 ] - [ -0.0077813700000000, -0.0068140700000000, 0.0000943900000000 ] - [ 0.0086861200000000, 0.0075710800000000, -0.0002034400000000 ] - [ 0.0065849000000000, 0.0066062400000000, -0.0001146600000000 ] - [ 0.0203017800000000, 0.0190122500000000, 0.0173426700000000 ] - [ 0.0066922000000000, 0.0070045200000000, 0.0001344900000000 ] - [ -0.0071913400000000, 0.0065244000000000, -0.0003501400000000 ] - [ -0.0078800600000000, 0.0065737300000000, 0.0000634000000000 ] - [ -0.0072134600000000, 0.0060293400000000, 0.0002651300000000 ] - [ -0.0086844300000000, 0.0065167400000000, -0.0004467800000000 ] - [ 0.0073717500000000, -0.0061194500000000, 0.0005518500000000 ] - [ 0.0070638000000000, -0.0064777300000000, -0.0023996100000000 ] - [ 0.0065068300000000, -0.0067402700000000, -0.0000522800000000 ] - [ 0.0040166800000000, -0.0041863800000000, 0.0007154700000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0038104200000000, -0.0001835600000000, -0.0000007900000000 ] - [ 0.0033322700000000, -0.0002613300000000, 0.0000203600000000 ] - [ -0.0003928300000000, 0.0045721400000000, -0.0018536500000000 ] - [ 0.0014079400000000, -0.0012024900000000, -0.0004539000000000 ] - [ -0.0032281800000000, 0.0002168600000000, 0.0002482800000000 ] - [ -0.0039708500000000, -0.0000630100000000, -0.0003113800000000 ] - [ -0.0020459800000000, -0.0021861800000000, -0.0005032300000000 ] - [ -0.0040603200000000, -0.0001523200000000, 0.0003322200000000 ] - [ 0.0040443700000000, 0.0004330100000000, -0.0001851500000000 ] - [ 0.0032765600000000, 0.0000029500000000, 0.0002972300000000 ] - [ 0.0040559500000000, 0.0017877200000000, 0.0030332900000000 ] - [ 0.0034035800000000, -0.0000271600000000, -0.0001471400000000 ] - [ -0.0037521100000000, 0.0000458700000000, 0.0000450300000000 ] - [ -0.0038165400000000, 0.0001323100000000, -0.0006869500000000 ] - [ -0.0043159900000000, 0.0003397600000000, -0.0002696800000000 ] - [ -0.0039790300000000, 0.0000302100000000, 0.0005103600000000 ] - [ -0.0034935800000000, -0.0042116500000000, 0.0004045700000000 ] - [ -0.0022991000000000, -0.0094794900000000, 0.0002186000000000 ] - [ -0.0010740900000000, -0.0083413900000000, -0.0001423900000000 ] - [ -0.0010814600000000, -0.0087487700000000, 0.0000961200000000 ] - [ 0.0032758100000000, 0.0055730300000000, 0.0005330500000000 ] - [ 0.0007520500000000, 0.0082559700000000, -0.0003529700000000 ] - [ 0.0012270400000000, 0.0086178500000000, -0.0003856200000000 ] - [ 0.0007621400000000, 0.0082858200000000, 0.0003263700000000 ] - [ -0.0021826000000000, 0.0115208300000000, -0.0010976500000000 ] - [ -0.0011183700000000, 0.0084631200000000, 0.0001446700000000 ] - [ -0.0007705300000000, 0.0086153500000000, -0.0001439700000000 ] - [ -0.0011132000000000, 0.0086140100000000, -0.0001581000000000 ] - [ -0.0003450000000000, -0.0087744800000000, 0.0001072800000000 ] - [ 0.0012211500000000, -0.0098050700000000, 0.0001373100000000 ] - [ 0.0009511900000000, -0.0085361700000000, -0.0000252400000000 ] - [ 0.0010929100000000, -0.0085548200000000, 0.0000182800000000 ] - [ 0.0895958600000000, -0.0481172700000000, 0.0406792200000000 ] - [ -0.0009240300000000, -0.0070790100000000, -0.0005205900000000 ] - [ 0.0004040900000000, -0.0065393500000000, -0.0004131300000000 ] - [ -0.0008787200000000, -0.0072290600000000, -0.0005323600000000 ] - [ 0.0021599000000000, 0.0199830800000000, 0.0001572600000000 ] - [ 0.0000522500000000, 0.0071028800000000, -0.0000737000000000 ] - [ 0.0004538700000000, 0.0068566400000000, -0.0005741000000000 ] - [ 0.0005933700000000, 0.0069873400000000, -0.0006302000000000 ] - [ -0.0040329500000000, 0.0085304200000000, 0.0032389000000000 ] - [ -0.0040358200000000, 0.0115016300000000, -0.0024603500000000 ] - [ -0.0010550600000000, 0.0069754200000000, 0.0002866600000000 ] - [ -0.0010449200000000, 0.0098512100000000, 0.0026991100000000 ] - [ 0.0019913100000000, -0.0065364400000000, 0.0010331100000000 ] - [ 0.0001064300000000, -0.0069075800000000, 0.0006341500000000 ] - [ 0.0013585300000000, -0.0066635600000000, 0.0003028400000000 ] - [ 0.0003268400000000, -0.0068361200000000, 0.0003400200000000 ] - [ -0.0003009500000000, 0.0063274400000000, -0.0006146300000000 ] - [ -0.0003102600000000, 0.0077774000000000, -0.0001918300000000 ] - [ -0.0009032800000000, 0.0068657200000000, -0.0007151900000000 ] - [ -0.0009031700000000, 0.0078564900000000, -0.0014336400000000 ] - [ 0.0015073000000000, -0.0067170000000000, -0.0005612100000000 ] - [ 0.0001112200000000, -0.0069251400000000, -0.0006422800000000 ] - [ 0.0009731500000000, -0.0067805700000000, -0.0007373100000000 ] - [ 0.0002164300000000, -0.0068668200000000, -0.0004409600000000 ] - [ 0.0043675700000000, -0.0063796900000000, -0.0014444700000000 ] - [ -0.0008164200000000, -0.0069104000000000, 0.0005514600000000 ] - [ 0.0006335500000000, -0.0052628900000000, 0.0000407900000000 ] - [ -0.0007630800000000, -0.0070733800000000, 0.0005272600000000 ] - [ 0.0008522300000000, 0.0062758000000000, 0.0011422800000000 ] - [ 0.0002374900000000, 0.0070558400000000, 0.0002365700000000 ] - [ -0.0000667800000000, 0.0062657600000000, -0.0007483800000000 ] - [ 0.0005744600000000, 0.0069165500000000, 0.0005570200000000 ] - [ -0.0579560500000000, 0.0360764200000000, -0.0105197500000000 ] - [ -0.0003523900000000, 0.0004982800000000, -0.0064034900000000 ] - [ 0.0000030300000000, 0.0001419000000000, -0.0062973900000000 ] - [ -0.0000116400000000, 0.0000815200000000, -0.0065446400000000 ] - [ -0.0010394400000000, -0.0020307700000000, 0.0080050200000000 ] - [ 0.0007589300000000, 0.0006715300000000, 0.0058701000000000 ] - [ -0.0006744300000000, -0.0006074100000000, 0.0060563100000000 ] - [ 0.0002240000000000, 0.0001341900000000, 0.0070423500000000 ] - [ -0.0009640600000000, 0.0010866100000000, 0.0061676200000000 ] - [ -0.0000304000000000, 0.0002775100000000, 0.0071343200000000 ] - [ -0.0002179800000000, -0.0002418400000000, 0.0070024300000000 ] - [ -0.0000168200000000, 0.0004774000000000, 0.0058466600000000 ] - [ 0.0007298100000000, -0.0013500000000000, -0.0078453500000000 ] - [ 0.0003981900000000, -0.0001333200000000, -0.0060664600000000 ] - [ -0.0004789500000000, -0.0003476800000000, -0.0063635700000000 ] - [ 0.0000181000000000, 0.0001609500000000, -0.0067125600000000 ] - [ -0.0241564400000000, -0.0076198900000000, -0.0186112100000000 ] - [ -0.0015800500000000, -0.0004885800000000, 0.0001435300000000 ] - [ -0.0038694400000000, -0.0001760900000000, -0.0002043500000000 ] - [ -0.0019844600000000, -0.0004583800000000, -0.0000439400000000 ] - [ 0.0054839400000000, 0.0004630200000000, -0.0025641000000000 ] - [ 0.0028611800000000, 0.0015548200000000, 0.0000942900000000 ] - [ 0.0030902800000000, 0.0002668700000000, 0.0003238600000000 ] - [ 0.0022719300000000, 0.0003159800000000, 0.0000538400000000 ] - [ 0.0005806200000000, -0.0014432000000000, -0.0018291500000000 ] - [ -0.0003313800000000, -0.0000828800000000, -0.0007444100000000 ] - [ -0.0022393300000000, 0.0001526400000000, 0.0008205700000000 ] - [ -0.0016103400000000, 0.0006715400000000, -0.0001960000000000 ] - [ 0.0000643700000000, -0.0003856700000000, -0.0011108600000000 ] - [ 0.0031755800000000, -0.0002002500000000, 0.0000435500000000 ] - [ 0.0019622900000000, -0.0004183000000000, 0.0005772700000000 ] - [ 0.0028755100000000, -0.0002240800000000, 0.0000775300000000 ] - [ -0.0077338600000000, -0.0067682100000000, -0.0000762700000000 ] - [ -0.0072288200000000, -0.0066039600000000, 0.0000777500000000 ] - [ -0.0088698700000000, -0.0070571800000000, 0.0027437100000000 ] - [ -0.0072978500000000, -0.0064293300000000, -0.0000943200000000 ] - [ 0.0063972700000000, 0.0056860300000000, 0.0002020000000000 ] - [ 0.0085071100000000, 0.0066367800000000, 0.0001084700000000 ] - [ -0.0052664500000000, -0.0056327800000000, -0.0171459200000000 ] - [ 0.0084000000000000, 0.0062353300000000, -0.0001346600000000 ] - [ -0.0078979800000000, 0.0067212800000000, 0.0003484500000000 ] - [ -0.0071972300000000, 0.0066683400000000, -0.0000706900000000 ] - [ -0.0078913000000000, 0.0072137700000000, -0.0002661300000000 ] - [ -0.0063801500000000, 0.0067297200000000, 0.0004506300000000 ] - [ 0.0077174100000000, -0.0071269600000000, -0.0005573200000000 ] - [ 0.0080341300000000, -0.0067888500000000, 0.0024272100000000 ] - [ 0.0085919400000000, -0.0065131100000000, 0.0000451900000000 ] - [ 0.0110775100000000, -0.0090779800000000, -0.0007076100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0035093100000000, -0.0002987500000000, 0.0003302100000000 ] - [ 0.0036932100000000, -0.0001682400000000, 0.0001109700000000 ] - [ 0.0050613500000000, -0.0020625500000000, 0.0009195100000000 ] - [ 0.0036263900000000, -0.0001420300000000, 0.0000220400000000 ] - [ -0.0035891500000000, 0.0001795600000000, 0.0002629100000000 ] - [ -0.0036835800000000, 0.0002164000000000, 0.0000996000000000 ] - [ -0.0043637100000000, 0.0009049700000000, 0.0000101500000000 ] - [ -0.0039387000000000, 0.0000685400000000, -0.0000843700000000 ] - [ 0.0038159600000000, -0.0002058800000000, -0.0000932400000000 ] - [ 0.0038084600000000, 0.0003564700000000, 0.0001515600000000 ] - [ 0.0010281100000000, 0.0022426900000000, 0.0025342600000000 ] - [ 0.0037088200000000, 0.0002097500000000, -0.0001328800000000 ] - [ -0.0036810800000000, -0.0000756700000000, 0.0000451500000000 ] - [ -0.0042063000000000, 0.0004561200000000, -0.0008352500000000 ] - [ -0.0038243200000000, 0.0008371700000000, -0.0006915000000000 ] - [ -0.0040929000000000, 0.0004296000000000, 0.0002800200000000 ] - [ 0.0000196500000000, -0.0103459800000000, -0.0009233600000000 ] - [ -0.0009929500000000, -0.0084983900000000, 0.0000139400000000 ] - [ -0.0012188900000000, -0.0092466300000000, -0.0003646900000000 ] - [ -0.0010766300000000, -0.0087075800000000, -0.0001040900000000 ] - [ 0.0003619900000000, 0.0093630900000000, -0.0003468900000000 ] - [ 0.0009727200000000, 0.0085617200000000, 0.0001055000000000 ] - [ 0.0010291000000000, 0.0086494400000000, -0.0000244300000000 ] - [ 0.0011137300000000, 0.0086416500000000, -0.0000802300000000 ] - [ -0.0040021300000000, 0.0098927300000000, -0.0039902600000000 ] - [ -0.0009518600000000, 0.0086223300000000, 0.0000957600000000 ] - [ -0.0010216300000000, 0.0086225500000000, 0.0001995900000000 ] - [ -0.0010290600000000, 0.0088354800000000, -0.0001539800000000 ] - [ 0.0011057600000000, -0.0069836800000000, 0.0009321200000000 ] - [ 0.0006783800000000, -0.0082095300000000, -0.0005324000000000 ] - [ 0.0011811100000000, -0.0084882000000000, -0.0001307800000000 ] - [ 0.0006195300000000, -0.0081689200000000, 0.0009551700000000 ] - [ 0.0397806600000000, -0.1372500400000000, -0.0270931100000000 ] - [ -0.0003330400000000, -0.0068780500000000, -0.0005023300000000 ] - [ -0.0008747400000000, -0.0072931900000000, -0.0003763600000000 ] - [ -0.0001830000000000, -0.0067814700000000, -0.0003424700000000 ] - [ -0.0125158800000000, 0.0218080700000000, -0.0012844700000000 ] - [ 0.0003136800000000, 0.0071213100000000, -0.0003322600000000 ] - [ 0.0005528700000000, 0.0068241800000000, -0.0003994100000000 ] - [ 0.0004238200000000, 0.0069670600000000, -0.0004314400000000 ] - [ 0.0040922100000000, 0.0054889000000000, -0.0032425000000000 ] - [ 0.0011267000000000, 0.0054778900000000, 0.0018881000000000 ] - [ 0.0024335700000000, 0.0064378700000000, 0.0015870800000000 ] - [ -0.0004361500000000, 0.0064351600000000, 0.0000357200000000 ] - [ 0.0008717000000000, -0.0071174400000000, 0.0008149900000000 ] - [ 0.0004998100000000, -0.0060624900000000, 0.0009139500000000 ] - [ 0.0007438600000000, -0.0069167700000000, 0.0002789400000000 ] - [ 0.0005740600000000, -0.0061700200000000, 0.0001710000000000 ] - [ 0.0003655100000000, 0.0065300000000000, 0.0000306900000000 ] - [ -0.0011025200000000, 0.0065263500000000, -0.0010955400000000 ] - [ 0.0004458400000000, 0.0068618800000000, 0.0001399000000000 ] - [ -0.0005439400000000, 0.0068590200000000, -0.0001779900000000 ] - [ 0.0006927900000000, -0.0066962000000000, -0.0005599100000000 ] - [ 0.0004831900000000, -0.0067251600000000, -0.0004949900000000 ] - [ 0.0006305800000000, -0.0068918200000000, -0.0004822100000000 ] - [ 0.0005433700000000, -0.0066722200000000, -0.0004511900000000 ] - [ -0.0010478700000000, -0.0077566200000000, 0.0012616800000000 ] - [ -0.0005015800000000, -0.0069754800000000, 0.0004862200000000 ] - [ -0.0021542400000000, -0.0106007500000000, 0.0013996400000000 ] - [ -0.0003397800000000, -0.0069659000000000, 0.0004226100000000 ] - [ 0.0011288600000000, 0.0069906100000000, 0.0012845800000000 ] - [ 0.0003602600000000, 0.0070535700000000, 0.0004253100000000 ] - [ 0.0011450900000000, 0.0065184200000000, 0.0001535900000000 ] - [ 0.0004941500000000, 0.0070933600000000, 0.0003724300000000 ] - [ -0.0408073800000000, 0.0888701100000000, -0.0047767400000000 ] - [ 0.0001007300000000, -0.0001301100000000, -0.0066830200000000 ] - [ -0.0001093200000000, 0.0002252100000000, -0.0069043900000000 ] - [ -0.0000726000000000, 0.0000514700000000, -0.0067010500000000 ] - [ 0.0006845800000000, 0.0006501600000000, 0.0086843400000000 ] - [ -0.0005711200000000, -0.0012494100000000, 0.0060074600000000 ] - [ 0.0007084200000000, -0.0003687900000000, 0.0043677100000000 ] - [ -0.0004706900000000, -0.0010568400000000, 0.0072564600000000 ] - [ 0.0000547500000000, 0.0001342000000000, 0.0062456000000000 ] - [ -0.0000073700000000, -0.0000968400000000, 0.0065096000000000 ] - [ -0.0000354700000000, 0.0009275900000000, 0.0074021500000000 ] - [ -0.0000830000000000, 0.0000379300000000, 0.0068302500000000 ] - [ 0.0012868400000000, -0.0016639400000000, -0.0060808400000000 ] - [ -0.0002969200000000, -0.0009172100000000, -0.0067764900000000 ] - [ -0.0001293600000000, 0.0000543300000000, -0.0068390800000000 ] - [ -0.0002373600000000, -0.0004412800000000, -0.0065749600000000 ] - [ -0.0004059000000000, 0.0067787400000000, 0.0047581200000000 ] - [ -0.0032022500000000, 0.0000129000000000, -0.0001288600000000 ] - [ -0.0016579400000000, -0.0003790800000000, -0.0004245600000000 ] - [ -0.0033563100000000, -0.0002092200000000, -0.0000853400000000 ] - [ 0.0064838500000000, 0.0007066400000000, -0.0043941500000000 ] - [ 0.0025503100000000, -0.0004038600000000, 0.0001242200000000 ] - [ 0.0025925300000000, 0.0003876400000000, 0.0000740100000000 ] - [ 0.0026017000000000, 0.0000287400000000, 0.0001290100000000 ] - [ -0.0061054000000000, 0.0035905000000000, 0.0000521800000000 ] - [ -0.0026343200000000, 0.0006835800000000, 0.0005106900000000 ] - [ -0.0034527400000000, 0.0006502000000000, -0.0017495900000000 ] - [ -0.0025297500000000, 0.0004692100000000, 0.0000422000000000 ] - [ 0.0004979500000000, -0.0021828900000000, -0.0011019000000000 ] - [ 0.0027465400000000, -0.0004973800000000, -0.0001118000000000 ] - [ 0.0023487200000000, -0.0005973700000000, 0.0000735300000000 ] - [ 0.0026280800000000, -0.0003986800000000, 0.0000035700000000 ] - [ -0.0075896900000000, -0.0068843700000000, -0.0002718700000000 ] - [ -0.0072617900000000, -0.0068184100000000, -0.0000714400000000 ] - [ -0.0104832900000000, -0.0107284800000000, 0.0042844900000000 ] - [ -0.0072457300000000, -0.0069248300000000, 0.0000194400000000 ] - [ 0.0078474000000000, 0.0070686900000000, 0.0001286400000000 ] - [ 0.0073019800000000, 0.0066140600000000, -0.0000648800000000 ] - [ 0.0182616000000000, 0.0317527000000000, 0.0238639200000000 ] - [ 0.0075543100000000, 0.0066928600000000, 0.0001048000000000 ] - [ -0.0077514000000000, 0.0064305300000000, -0.0002192600000000 ] - [ -0.0074587500000000, 0.0065194600000000, -0.0003064900000000 ] - [ -0.0079438000000000, 0.0056088700000000, -0.0001603400000000 ] - [ -0.0062354400000000, 0.0064118700000000, 0.0008262100000000 ] - [ 0.0073135600000000, -0.0058747300000000, 0.0004036400000000 ] - [ 0.0077539700000000, -0.0064872000000000, -0.0008560600000000 ] - [ 0.0066277800000000, -0.0057635200000000, 0.0005231100000000 ] - [ 0.0088589400000000, -0.0040120400000000, -0.0009226100000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039248500000000, 0.0001979200000000, -0.0003190500000000 ] - [ 0.0037534500000000, 0.0000814600000000, -0.0001125700000000 ] - [ 0.0023096000000000, 0.0019815500000000, -0.0009932800000000 ] - [ 0.0038380900000000, 0.0000609800000000, -0.0000210300000000 ] - [ -0.0038463300000000, -0.0000818100000000, -0.0002533800000000 ] - [ -0.0037587400000000, -0.0001264100000000, -0.0000967200000000 ] - [ -0.0030675800000000, -0.0007912200000000, -0.0000226800000000 ] - [ -0.0035061000000000, 0.0000196700000000, 0.0000837400000000 ] - [ 0.0036253900000000, 0.0002904200000000, 0.0000961100000000 ] - [ 0.0036381900000000, -0.0002662700000000, -0.0001546200000000 ] - [ 0.0063841900000000, -0.0021195900000000, -0.0024840600000000 ] - [ 0.0037334600000000, -0.0001223400000000, 0.0001318600000000 ] - [ -0.0037628200000000, -0.0000145000000000, -0.0000439600000000 ] - [ -0.0032440900000000, -0.0005414300000000, 0.0008248600000000 ] - [ -0.0036120400000000, -0.0009270000000000, 0.0006979500000000 ] - [ -0.0033501400000000, -0.0005177700000000, -0.0002813000000000 ] - [ -0.0020805800000000, -0.0067699800000000, 0.0009734600000000 ] - [ -0.0009719200000000, -0.0086595400000000, -0.0000169200000000 ] - [ -0.0007742500000000, -0.0079285000000000, 0.0003551300000000 ] - [ -0.0009080100000000, -0.0084528800000000, 0.0001044000000000 ] - [ 0.0016505300000000, 0.0077807100000000, 0.0003487000000000 ] - [ 0.0010073700000000, 0.0086021000000000, -0.0001082700000000 ] - [ 0.0009655400000000, 0.0085200500000000, 0.0000160800000000 ] - [ 0.0008695600000000, 0.0085211900000000, 0.0000780700000000 ] - [ 0.0019862300000000, 0.0073184300000000, 0.0039441200000000 ] - [ -0.0010345400000000, 0.0085375200000000, -0.0000952600000000 ] - [ -0.0009643700000000, 0.0085364600000000, -0.0001989700000000 ] - [ -0.0009513300000000, 0.0083274700000000, 0.0001592400000000 ] - [ 0.0008850600000000, -0.0101809600000000, -0.0009365400000000 ] - [ 0.0013058200000000, -0.0089354800000000, 0.0005264500000000 ] - [ 0.0008046200000000, -0.0086713300000000, 0.0001308800000000 ] - [ 0.0013596500000000, -0.0089911800000000, -0.0009424300000000 ] - [ -0.0444295400000000, 0.1273161600000000, 0.0253028100000000 ] - [ -0.0006725400000000, -0.0069388800000000, -0.0004657700000000 ] - [ -0.0001368300000000, -0.0065316700000000, -0.0005887100000000 ] - [ -0.0008192200000000, -0.0070349700000000, -0.0006263700000000 ] - [ 0.0137552400000000, -0.0081520300000000, 0.0003111800000000 ] - [ 0.0007011100000000, 0.0066926300000000, -0.0006432000000000 ] - [ 0.0004505800000000, 0.0069915200000000, -0.0005661400000000 ] - [ 0.0005793700000000, 0.0068515900000000, -0.0005362900000000 ] - [ -0.0050648600000000, 0.0083171300000000, 0.0041892600000000 ] - [ -0.0021139800000000, 0.0083064000000000, -0.0009079700000000 ] - [ -0.0034151900000000, 0.0073717600000000, -0.0006154000000000 ] - [ -0.0005650800000000, 0.0073692500000000, 0.0009253200000000 ] - [ 0.0001344300000000, -0.0066972800000000, 0.0001584600000000 ] - [ 0.0005004000000000, -0.0077492700000000, 0.0000574100000000 ] - [ 0.0002631000000000, -0.0068975200000000, 0.0006909100000000 ] - [ 0.0004308500000000, -0.0076420900000000, 0.0007954100000000 ] - [ -0.0013810700000000, 0.0072884400000000, -0.0010044900000000 ] - [ 0.0000892700000000, 0.0072850300000000, 0.0001278400000000 ] - [ -0.0014352000000000, 0.0069557100000000, -0.0010967400000000 ] - [ -0.0004550900000000, 0.0069522700000000, -0.0007830700000000 ] - [ 0.0003137800000000, -0.0071173100000000, -0.0004154200000000 ] - [ 0.0005240000000000, -0.0070895700000000, -0.0004728600000000 ] - [ 0.0003748400000000, -0.0069257200000000, -0.0004834700000000 ] - [ 0.0004579300000000, -0.0071457400000000, -0.0005195200000000 ] - [ 0.0000159900000000, -0.0060723000000000, -0.0002747800000000 ] - [ -0.0005051200000000, -0.0068427300000000, 0.0004836900000000 ] - [ 0.0011256700000000, -0.0032541100000000, -0.0004220100000000 ] - [ -0.0006660600000000, -0.0068511200000000, 0.0005469200000000 ] - [ -0.0001341200000000, 0.0068296000000000, -0.0003165300000000 ] - [ 0.0006539000000000, 0.0067600400000000, 0.0005486100000000 ] - [ -0.0001390200000000, 0.0072910600000000, 0.0008139600000000 ] - [ 0.0005094200000000, 0.0067214600000000, 0.0005978800000000 ] - [ 0.0438584300000000, -0.0932782200000000, -0.0085170400000000 ] - [ -0.0001036300000000, 0.0001258000000000, -0.0065830800000000 ] - [ 0.0001087000000000, -0.0002247200000000, -0.0063681800000000 ] - [ 0.0000722700000000, -0.0000516600000000, -0.0065713600000000 ] - [ -0.0006656600000000, -0.0006372900000000, 0.0046062500000000 ] - [ 0.0005627100000000, 0.0012388900000000, 0.0072625700000000 ] - [ -0.0007005300000000, 0.0003692900000000, 0.0088782600000000 ] - [ 0.0004652000000000, 0.0010505400000000, 0.0060079700000000 ] - [ -0.0000541800000000, -0.0001402700000000, 0.0069735600000000 ] - [ 0.0000063200000000, 0.0000934500000000, 0.0067522100000000 ] - [ 0.0000117600000000, -0.0009256500000000, 0.0059114400000000 ] - [ 0.0000841200000000, -0.0000420200000000, 0.0064485900000000 ] - [ -0.0012708700000000, 0.0016502100000000, -0.0071804000000000 ] - [ 0.0002936800000000, 0.0009234800000000, -0.0064898400000000 ] - [ 0.0001268900000000, -0.0000548600000000, -0.0064326500000000 ] - [ 0.0002362300000000, 0.0004376800000000, -0.0066955000000000 ] - [ -0.0046963900000000, -0.0074734200000000, -0.0047009400000000 ] - [ -0.0019734700000000, -0.0007608500000000, 0.0001278100000000 ] - [ -0.0035249700000000, -0.0003670900000000, 0.0004256900000000 ] - [ -0.0018206600000000, -0.0005392400000000, 0.0000888300000000 ] - [ -0.0012951200000000, 0.0000172800000000, 0.0044092800000000 ] - [ 0.0026134100000000, 0.0011464600000000, -0.0001245900000000 ] - [ 0.0025962800000000, 0.0003549600000000, -0.0000709400000000 ] - [ 0.0025726500000000, 0.0007192500000000, -0.0001263700000000 ] - [ 0.0009677500000000, -0.0027309500000000, -0.0001149100000000 ] - [ -0.0025654900000000, 0.0000694500000000, -0.0005014000000000 ] - [ -0.0017481200000000, 0.0001220300000000, 0.0017198300000000 ] - [ -0.0026524800000000, 0.0002770800000000, -0.0000378600000000 ] - [ 0.0046862500000000, 0.0014078400000000, 0.0011079200000000 ] - [ 0.0024356000000000, -0.0002527100000000, 0.0001127300000000 ] - [ 0.0028296400000000, -0.0001676500000000, -0.0000728400000000 ] - [ 0.0025487300000000, -0.0003493800000000, 0.0000016700000000 ] - [ -0.0074886300000000, -0.0063697500000000, 0.0002674500000000 ] - [ -0.0078199800000000, -0.0064249000000000, 0.0000650000000000 ] - [ -0.0045787900000000, -0.0025615400000000, -0.0042883200000000 ] - [ -0.0078372400000000, -0.0063187900000000, -0.0000172400000000 ] - [ 0.0072468500000000, 0.0061954900000000, -0.0001360300000000 ] - [ 0.0077771500000000, 0.0066281800000000, 0.0000567300000000 ] - [ -0.0027892000000000, -0.0179302600000000, -0.0229724200000000 ] - [ 0.0075272000000000, 0.0065495400000000, -0.0001026100000000 ] - [ -0.0073415500000000, 0.0068045900000000, 0.0002082200000000 ] - [ -0.0076219700000000, 0.0067227800000000, 0.0002996700000000 ] - [ -0.0071634400000000, 0.0076314100000000, 0.0001667200000000 ] - [ -0.0088526700000000, 0.0068268000000000, -0.0008284500000000 ] - [ 0.0077767200000000, -0.0073573100000000, -0.0004079800000000 ] - [ 0.0073233100000000, -0.0067560600000000, 0.0008333700000000 ] - [ 0.0084776800000000, -0.0074624400000000, -0.0005197600000000 ] - [ 0.0062037800000000, -0.0092209200000000, 0.0009279700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0036453600000000, 0.0002610400000000, 0.0005396200000000 ] - [ 0.0042755200000000, 0.0003059000000000, 0.0000570400000000 ] - [ 0.0103467300000000, -0.0062330800000000, 0.0018838700000000 ] - [ 0.0020810200000000, -0.0008769900000000, -0.0003329600000000 ] - [ -0.0037850900000000, 0.0000983000000000, 0.0006378900000000 ] - [ -0.0037105800000000, 0.0000768100000000, 0.0004002600000000 ] - [ -0.0019702900000000, -0.0007029200000000, -0.0007396700000000 ] - [ -0.0034734800000000, 0.0002049400000000, -0.0004111900000000 ] - [ 0.0039756300000000, -0.0005314700000000, 0.0002721700000000 ] - [ 0.0037516500000000, -0.0000430900000000, 0.0002573500000000 ] - [ 0.0017496100000000, 0.0011422200000000, -0.0001913400000000 ] - [ 0.0035867100000000, 0.0004539300000000, -0.0002900500000000 ] - [ -0.0038487800000000, -0.0000358100000000, 0.0001354800000000 ] - [ -0.0038385400000000, -0.0000254900000000, 0.0005504300000000 ] - [ -0.0030531400000000, 0.0001434000000000, -0.0002875900000000 ] - [ -0.0037399800000000, -0.0002330800000000, -0.0006156000000000 ] - [ -0.0053533200000000, -0.0028035100000000, 0.0003914500000000 ] - [ 0.0001909400000000, -0.0077348600000000, -0.0003162000000000 ] - [ -0.0009648100000000, -0.0091986700000000, 0.0004615100000000 ] - [ -0.0011890800000000, -0.0086679600000000, 0.0001843400000000 ] - [ -0.0017581600000000, 0.0106815600000000, -0.0007878800000000 ] - [ 0.0008167600000000, 0.0083932700000000, -0.0005249100000000 ] - [ 0.0009354000000000, 0.0085022600000000, 0.0007323600000000 ] - [ 0.0010082700000000, 0.0085192100000000, 0.0004518400000000 ] - [ -0.0003497600000000, 0.0066227000000000, -0.0001022700000000 ] - [ -0.0008612400000000, 0.0084745900000000, -0.0002811300000000 ] - [ -0.0013048600000000, 0.0089213000000000, 0.0003388900000000 ] - [ -0.0010081700000000, 0.0086740200000000, 0.0002192300000000 ] - [ 0.0001960500000000, -0.0096373100000000, -0.0004617600000000 ] - [ 0.0006937500000000, -0.0073584500000000, -0.0007914600000000 ] - [ 0.0013019200000000, -0.0086045700000000, 0.0001114700000000 ] - [ 0.0008371700000000, -0.0084504300000000, 0.0008233000000000 ] - [ -0.0412562900000000, -0.0336817200000000, -0.0907742000000000 ] - [ -0.0004642900000000, -0.0069286800000000, -0.0008647500000000 ] - [ -0.0005716700000000, -0.0068040900000000, 0.0017405800000000 ] - [ -0.0004534300000000, -0.0067678900000000, 0.0000218300000000 ] - [ 0.0011247800000000, 0.0077441700000000, -0.0123271600000000 ] - [ 0.0009090400000000, 0.0067551600000000, -0.0010454000000000 ] - [ 0.0004123800000000, 0.0068255400000000, -0.0000716800000000 ] - [ 0.0003550100000000, 0.0068579300000000, -0.0002125600000000 ] - [ -0.0034496400000000, 0.0083093000000000, 0.0031340900000000 ] - [ 0.0022383500000000, 0.0032017000000000, 0.0031292600000000 ] - [ 0.0017029800000000, 0.0064655300000000, 0.0012415600000000 ] - [ -0.0006941400000000, 0.0080089100000000, 0.0012409000000000 ] - [ -0.0000431300000000, -0.0072372600000000, 0.0003825600000000 ] - [ 0.0003514600000000, -0.0073373200000000, 0.0004067800000000 ] - [ 0.0006812800000000, -0.0067030800000000, 0.0005011200000000 ] - [ 0.0006455300000000, -0.0065960000000000, 0.0003494600000000 ] - [ -0.0007938200000000, 0.0075160500000000, -0.0025058400000000 ] - [ -0.0003865000000000, 0.0063992800000000, -0.0025043800000000 ] - [ 0.0004484100000000, 0.0066061400000000, 0.0008016100000000 ] - [ -0.0002758800000000, 0.0062970900000000, 0.0007958600000000 ] - [ 0.0004261500000000, -0.0069801700000000, -0.0014202800000000 ] - [ 0.0003426000000000, -0.0069210000000000, -0.0007767000000000 ] - [ 0.0002487100000000, -0.0069095200000000, -0.0000239900000000 ] - [ 0.0005443100000000, -0.0068755900000000, -0.0002591100000000 ] - [ -0.0024420100000000, -0.0076748100000000, 0.0079230300000000 ] - [ -0.0004331800000000, -0.0069111100000000, 0.0005948900000000 ] - [ -0.0009240900000000, -0.0078164600000000, 0.0074924700000000 ] - [ -0.0004591600000000, -0.0068483200000000, 0.0006770400000000 ] - [ -0.0001521300000000, 0.0077082600000000, 0.0002738600000000 ] - [ 0.0007488100000000, 0.0068486400000000, 0.0006636900000000 ] - [ 0.0017329500000000, 0.0065740700000000, 0.0013998000000000 ] - [ 0.0004281200000000, 0.0067976600000000, 0.0003776000000000 ] - [ 0.0030926300000000, 0.0023535600000000, 0.0350540200000000 ] - [ -0.0000250300000000, 0.0001398900000000, -0.0052338400000000 ] - [ 0.0001187800000000, 0.0000141900000000, -0.0079561000000000 ] - [ -0.0000241800000000, -0.0001107100000000, -0.0071890600000000 ] - [ 0.0010681200000000, 0.0016086500000000, 0.0063115000000000 ] - [ 0.0007131500000000, 0.0005201200000000, 0.0064485900000000 ] - [ 0.0001042000000000, -0.0006003000000000, 0.0060616800000000 ] - [ -0.0004716100000000, -0.0006388800000000, 0.0066502300000000 ] - [ 0.0013723100000000, -0.0024217500000000, 0.0047528000000000 ] - [ -0.0000688900000000, -0.0003652000000000, 0.0062847200000000 ] - [ -0.0010541100000000, 0.0022074200000000, 0.0045024400000000 ] - [ -0.0000084300000000, 0.0003819900000000, 0.0061754000000000 ] - [ 0.0003411100000000, -0.0000752000000000, -0.0044147300000000 ] - [ 0.0001400700000000, -0.0001245300000000, -0.0056261600000000 ] - [ 0.0002208800000000, 0.0001664300000000, -0.0076163000000000 ] - [ -0.0000804800000000, -0.0001680000000000, -0.0070955100000000 ] - [ 0.0140294600000000, 0.0079604500000000, 0.0200038900000000 ] - [ -0.0023297600000000, -0.0005215000000000, 0.0003231500000000 ] - [ -0.0008556500000000, -0.0005654400000000, -0.0023719300000000 ] - [ -0.0030457700000000, -0.0002297400000000, -0.0005251400000000 ] - [ 0.0023753200000000, 0.0001845700000000, 0.0008010700000000 ] - [ 0.0021124500000000, -0.0007763600000000, 0.0003207600000000 ] - [ 0.0020883900000000, 0.0005038800000000, -0.0004950900000000 ] - [ 0.0028053600000000, 0.0003298700000000, -0.0001944600000000 ] - [ 0.0034849600000000, -0.0001350300000000, 0.0002708500000000 ] - [ -0.0040858600000000, 0.0008302600000000, 0.0008841000000000 ] - [ -0.0042067600000000, 0.0003774800000000, -0.0024816100000000 ] - [ -0.0024262300000000, 0.0003835700000000, -0.0006215700000000 ] - [ 0.0027987700000000, -0.0003760200000000, 0.0010042600000000 ] - [ 0.0025559300000000, -0.0002716200000000, 0.0002174000000000 ] - [ 0.0027239900000000, -0.0003585200000000, -0.0005835900000000 ] - [ 0.0025766400000000, -0.0003204300000000, -0.0000314500000000 ] - [ -0.0074514300000000, -0.0066136800000000, -0.0005145300000000 ] - [ -0.0076322400000000, -0.0065939400000000, -0.0001706300000000 ] - [ -0.0088734400000000, -0.0071747100000000, 0.0003138600000000 ] - [ -0.0074388300000000, -0.0067202100000000, 0.0003004100000000 ] - [ 0.0083707000000000, 0.0078748600000000, -0.0026247600000000 ] - [ 0.0070853600000000, 0.0065237200000000, -0.0004374900000000 ] - [ 0.0206306900000000, 0.0270947400000000, 0.0282172900000000 ] - [ 0.0076504000000000, 0.0064226700000000, 0.0002113200000000 ] - [ -0.0076601900000000, 0.0063702400000000, -0.0004799200000000 ] - [ -0.0075064800000000, 0.0066909600000000, -0.0001431600000000 ] - [ -0.0068690200000000, 0.0073101200000000, 0.0004487300000000 ] - [ -0.0077946200000000, 0.0065946600000000, 0.0003599100000000 ] - [ 0.0078000400000000, -0.0067795100000000, -0.0009172000000000 ] - [ 0.0067323300000000, -0.0063030700000000, -0.0026085800000000 ] - [ 0.0060507400000000, -0.0069192800000000, 0.0007518300000000 ] - [ 0.0111415000000000, -0.0079408500000000, 0.0009862000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0037929100000000, -0.0003629700000000, -0.0005390400000000 ] - [ 0.0031547200000000, -0.0004113700000000, -0.0000540000000000 ] - [ -0.0027317000000000, 0.0060605000000000, -0.0018026800000000 ] - [ 0.0053449600000000, 0.0007692400000000, 0.0003351200000000 ] - [ -0.0036483300000000, 0.0000021500000000, -0.0006370100000000 ] - [ -0.0037226100000000, 0.0000259300000000, -0.0004001000000000 ] - [ -0.0054520800000000, 0.0007408900000000, 0.0007526900000000 ] - [ -0.0039599400000000, -0.0001034500000000, 0.0004131500000000 ] - [ 0.0034553100000000, 0.0006345800000000, -0.0002717900000000 ] - [ 0.0036811200000000, 0.0001454200000000, -0.0002552600000000 ] - [ 0.0056791900000000, -0.0010270700000000, 0.0001961000000000 ] - [ 0.0038470800000000, -0.0003483700000000, 0.0002891100000000 ] - [ -0.0035842700000000, -0.0000653500000000, -0.0001344300000000 ] - [ -0.0035963000000000, -0.0000752900000000, -0.0005506600000000 ] - [ -0.0043796100000000, -0.0002404600000000, 0.0002836000000000 ] - [ -0.0036957100000000, 0.0001331700000000, 0.0006162200000000 ] - [ 0.0035008300000000, -0.0144177800000000, -0.0004417200000000 ] - [ -0.0021864500000000, -0.0094323200000000, 0.0003181500000000 ] - [ -0.0010202500000000, -0.0079678100000000, -0.0004610000000000 ] - [ -0.0007992700000000, -0.0084949200000000, -0.0001863400000000 ] - [ 0.0037500600000000, 0.0063851900000000, 0.0007584100000000 ] - [ 0.0011694100000000, 0.0087684700000000, 0.0005254200000000 ] - [ 0.0010474000000000, 0.0086574500000000, -0.0007287900000000 ] - [ 0.0009785200000000, 0.0086424600000000, -0.0004532600000000 ] - [ -0.0016448400000000, 0.0105515200000000, 0.0000911700000000 ] - [ -0.0011247800000000, 0.0086878700000000, 0.0002824200000000 ] - [ -0.0006838900000000, 0.0082432600000000, -0.0003384300000000 ] - [ -0.0009784100000000, 0.0084888800000000, -0.0002192300000000 ] - [ 0.0017853600000000, -0.0075182600000000, 0.0004652900000000 ] - [ 0.0012932200000000, -0.0098087800000000, 0.0007893000000000 ] - [ 0.0006866400000000, -0.0085559700000000, -0.0001128600000000 ] - [ 0.0011478400000000, -0.0087103100000000, -0.0008212100000000 ] - [ 0.0404407100000000, 0.0187174100000000, 0.0894879800000000 ] - [ -0.0005371500000000, -0.0068918900000000, -0.0000953700000000 ] - [ -0.0004286100000000, -0.0070161500000000, -0.0026989500000000 ] - [ -0.0005486300000000, -0.0070515800000000, -0.0009808700000000 ] - [ -0.0001459300000000, 0.0061487100000000, 0.0113582000000000 ] - [ 0.0000908500000000, 0.0070661400000000, 0.0000867500000000 ] - [ 0.0005919700000000, 0.0069923700000000, -0.0008889800000000 ] - [ 0.0006459600000000, 0.0069629700000000, -0.0007472400000000 ] - [ 0.0024367900000000, 0.0055128300000000, -0.0021677200000000 ] - [ -0.0032473700000000, 0.0106329900000000, -0.0021723500000000 ] - [ -0.0026995700000000, 0.0073550600000000, -0.0002847800000000 ] - [ -0.0003098700000000, 0.0058063600000000, -0.0002853000000000 ] - [ 0.0010496200000000, -0.0065800000000000, 0.0005838000000000 ] - [ 0.0006533600000000, -0.0064801000000000, 0.0005567600000000 ] - [ 0.0003225400000000, -0.0071146100000000, 0.0004553900000000 ] - [ 0.0003595900000000, -0.0072202300000000, 0.0006102200000000 ] - [ -0.0002014100000000, 0.0062925100000000, 0.0015502600000000 ] - [ -0.0006304300000000, 0.0074342400000000, 0.0015516700000000 ] - [ -0.0014374400000000, 0.0072115100000000, -0.0017534000000000 ] - [ -0.0007325100000000, 0.0075337500000000, -0.0017592000000000 ] - [ 0.0005791300000000, -0.0068351900000000, 0.0004598800000000 ] - [ 0.0006624800000000, -0.0068984300000000, -0.0001852800000000 ] - [ 0.0007532900000000, -0.0069103000000000, -0.0009349900000000 ] - [ 0.0004585700000000, -0.0069438800000000, -0.0007009600000000 ] - [ 0.0014342400000000, -0.0061369800000000, -0.0070779800000000 ] - [ -0.0005692600000000, -0.0069081200000000, 0.0003657800000000 ] - [ -0.0000825000000000, -0.0059948800000000, -0.0064249600000000 ] - [ -0.0005411500000000, -0.0069722600000000, 0.0002839600000000 ] - [ 0.0011631000000000, 0.0061063400000000, 0.0006937100000000 ] - [ 0.0002538800000000, 0.0069719900000000, 0.0002970100000000 ] - [ -0.0007235200000000, 0.0072349800000000, -0.0004414300000000 ] - [ 0.0005737900000000, 0.0070230200000000, 0.0005808600000000 ] - [ -0.0033419100000000, -0.0020047200000000, -0.0482985800000000 ] - [ 0.0000267000000000, -0.0001381400000000, -0.0080229900000000 ] - [ -0.0001212400000000, -0.0000085600000000, -0.0053013400000000 ] - [ 0.0000249200000000, 0.0001117400000000, -0.0060651600000000 ] - [ -0.0010667900000000, -0.0016106800000000, 0.0069473000000000 ] - [ -0.0007113100000000, -0.0005167700000000, 0.0068036400000000 ] - [ -0.0000983700000000, 0.0005954500000000, 0.0071914600000000 ] - [ 0.0004680900000000, 0.0006356100000000, 0.0066067800000000 ] - [ -0.0013899100000000, 0.0024486400000000, 0.0085251600000000 ] - [ 0.0000680600000000, 0.0003676300000000, 0.0069720600000000 ] - [ 0.0010497800000000, -0.0021852100000000, 0.0087290900000000 ] - [ 0.0000082300000000, -0.0003812600000000, 0.0070782900000000 ] - [ -0.0003410600000000, 0.0000654100000000, -0.0088387900000000 ] - [ -0.0001416200000000, 0.0001197600000000, -0.0076241800000000 ] - [ -0.0002220600000000, -0.0001673000000000, -0.0056391000000000 ] - [ 0.0000779700000000, 0.0001645300000000, -0.0061617000000000 ] - [ -0.0200679200000000, -0.0088044800000000, -0.0205901500000000 ] - [ -0.0028609900000000, -0.0002309500000000, -0.0003224200000000 ] - [ -0.0043141000000000, -0.0001950200000000, 0.0023686900000000 ] - [ -0.0021429700000000, -0.0005241700000000, 0.0005246300000000 ] - [ 0.0028406300000000, 0.0005790800000000, -0.0008349700000000 ] - [ 0.0030799300000000, 0.0015368800000000, -0.0003235200000000 ] - [ 0.0030963200000000, 0.0002509200000000, 0.0004938900000000 ] - [ 0.0023839400000000, 0.0004246200000000, 0.0001961400000000 ] - [ -0.0086206400000000, 0.0009118500000000, -0.0003216200000000 ] - [ -0.0010887200000000, -0.0000788300000000, -0.0008822900000000 ] - [ -0.0010001300000000, 0.0003815400000000, 0.0024708400000000 ] - [ -0.0027569500000000, 0.0003706500000000, 0.0006230500000000 ] - [ 0.0023748100000000, -0.0003757700000000, -0.0010163500000000 ] - [ 0.0026319000000000, -0.0004840000000000, -0.0002166500000000 ] - [ 0.0024649500000000, -0.0003955100000000, 0.0005836700000000 ] - [ 0.0026087600000000, -0.0004335400000000, 0.0000315400000000 ] - [ -0.0076285400000000, -0.0066446000000000, 0.0005158600000000 ] - [ -0.0074463700000000, -0.0066637000000000, 0.0001713800000000 ] - [ -0.0062314300000000, -0.0061215200000000, -0.0002737300000000 ] - [ -0.0076403500000000, -0.0065385400000000, -0.0002998000000000 ] - [ 0.0066979200000000, 0.0053710500000000, 0.0026217700000000 ] - [ 0.0079960400000000, 0.0067342600000000, 0.0004381100000000 ] - [ -0.0049413700000000, -0.0128125900000000, -0.0272941800000000 ] - [ 0.0074310500000000, 0.0068355400000000, -0.0002107600000000 ] - [ -0.0074179600000000, 0.0068911400000000, 0.0004810200000000 ] - [ -0.0075741200000000, 0.0065664100000000, 0.0001418000000000 ] - [ -0.0082040800000000, 0.0059451500000000, -0.0004488000000000 ] - [ -0.0072788900000000, 0.0066627000000000, -0.0003538400000000 ] - [ 0.0072743400000000, -0.0064801700000000, 0.0009134500000000 ] - [ 0.0083563400000000, -0.0069645700000000, 0.0026180300000000 ] - [ 0.0090168100000000, -0.0063478800000000, -0.0007496600000000 ] - [ 0.0039316300000000, -0.0053072000000000, -0.0009879000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0055490000000000, 0.0014596400000000, -0.0011532600000000 ] - [ 0.0036445300000000, -0.0001058200000000, 0.0000192800000000 ] - [ 0.0546139800000000, 0.0197181800000000, 0.0351220600000000 ] - [ 0.0033421200000000, -0.0003319400000000, -0.0000736600000000 ] - [ -0.0018912700000000, 0.0015616500000000, 0.0011131100000000 ] - [ -0.0037911800000000, -0.0000063300000000, -0.0000182000000000 ] - [ 0.0467372700000000, 0.0189435700000000, -0.0337820200000000 ] - [ -0.0041031300000000, -0.0002363800000000, 0.0000752400000000 ] - [ 0.0036430000000000, 0.0001195200000000, -0.0000852300000000 ] - [ 0.0036460600000000, 0.0002804500000000, 0.0002429100000000 ] - [ 0.0042364700000000, 0.0003797300000000, 0.0002382200000000 ] - [ 0.0035568600000000, 0.0001949600000000, 0.0000446400000000 ] - [ -0.0037923200000000, 0.0000219000000000, 0.0000843100000000 ] - [ -0.0037927900000000, 0.0001822400000000, -0.0002499800000000 ] - [ -0.0031896100000000, 0.0002749200000000, -0.0002192600000000 ] - [ -0.0038715000000000, 0.0001133100000000, -0.0000415400000000 ] - [ 0.0557146800000000, 0.0090304300000000, -0.0381634500000000 ] - [ -0.0012185300000000, -0.0088189200000000, 0.0000570500000000 ] - [ 0.0004655400000000, -0.0065868400000000, 0.0014847600000000 ] - [ -0.0010427400000000, -0.0086529100000000, -0.0000181700000000 ] - [ 0.0568713200000000, 0.0252159500000000, 0.0364317500000000 ] - [ 0.0007660700000000, 0.0083428800000000, -0.0000538800000000 ] - [ 0.0024270400000000, 0.0105847000000000, -0.0014561900000000 ] - [ 0.0009428300000000, 0.0085078800000000, 0.0000148900000000 ] - [ -0.0013099200000000, 0.0103828800000000, -0.0003243300000000 ] - [ -0.0008872400000000, 0.0084761400000000, -0.0000733900000000 ] - [ -0.0010030000000000, 0.0087203500000000, -0.0000745300000000 ] - [ -0.0008929400000000, 0.0085188000000000, 0.0002564200000000 ] - [ 0.0006902800000000, -0.0067882900000000, 0.0003041000000000 ] - [ 0.0010975900000000, -0.0086844500000000, 0.0000746800000000 ] - [ 0.0009817900000000, -0.0084404400000000, 0.0000717000000000 ] - [ 0.0010895300000000, -0.0086394500000000, -0.0002496000000000 ] - [ 0.0574679200000000, -0.0480961200000000, 0.0027020000000000 ] - [ -0.0001482900000000, -0.0068070600000000, -0.0005040200000000 ] - [ -0.0005065700000000, -0.0070177600000000, -0.0003606800000000 ] - [ -0.0004878000000000, -0.0069807900000000, -0.0005057800000000 ] - [ 0.0593444800000000, -0.0365347800000000, -0.0037334700000000 ] - [ 0.0008489600000000, 0.0070113400000000, -0.0004524700000000 ] - [ 0.0005010400000000, 0.0068002400000000, -0.0006009300000000 ] - [ 0.0005123000000000, 0.0068365300000000, -0.0004565100000000 ] - [ 0.0005427200000000, 0.0062454200000000, -0.0005857200000000 ] - [ -0.0012554000000000, 0.0074630200000000, -0.0002226900000000 ] - [ 0.0001830400000000, 0.0062169900000000, 0.0003796200000000 ] - [ -0.0007242300000000, 0.0073670000000000, 0.0009449400000000 ] - [ 0.0015405000000000, -0.0075957900000000, 0.0015488300000000 ] - [ -0.0002668900000000, -0.0063294000000000, 0.0012014400000000 ] - [ 0.0011643300000000, -0.0076264900000000, 0.0005827200000000 ] - [ 0.0002831300000000, -0.0064302100000000, 0.0000056000000000 ] - [ -0.0012260200000000, 0.0056364800000000, -0.0001419700000000 ] - [ -0.0008963900000000, 0.0072006100000000, -0.0003397700000000 ] - [ -0.0000257500000000, 0.0070403600000000, -0.0002615500000000 ] - [ -0.0005170400000000, 0.0071435600000000, -0.0005584900000000 ] - [ -0.0002151200000000, -0.0081926300000000, -0.0008242300000000 ] - [ 0.0001137100000000, -0.0066097400000000, -0.0006212700000000 ] - [ 0.0009766200000000, -0.0067842500000000, -0.0007041800000000 ] - [ 0.0004836600000000, -0.0066705200000000, -0.0004002800000000 ] - [ 0.0004638000000000, -0.0068587900000000, -0.0008987700000000 ] - [ -0.0004709200000000, -0.0069161900000000, 0.0005490100000000 ] - [ -0.0002649500000000, -0.0069398800000000, 0.0015294300000000 ] - [ -0.0004873900000000, -0.0069941900000000, 0.0004870600000000 ] - [ 0.0014726700000000, 0.0069693300000000, 0.0018634800000000 ] - [ 0.0005318300000000, 0.0069032700000000, 0.0004127000000000 ] - [ 0.0007297600000000, 0.0068937400000000, -0.0005746700000000 ] - [ 0.0005223900000000, 0.0068273900000000, 0.0004695800000000 ] - [ -0.3388821300000000, 0.0248665600000000, -0.0061830900000000 ] - [ -0.0001505000000000, 0.0003350200000000, -0.0066326700000000 ] - [ -0.0008458500000000, -0.0003817200000000, -0.0066258300000000 ] - [ -0.0000905300000000, 0.0000637300000000, -0.0066274900000000 ] - [ 0.0001083400000000, -0.0005329700000000, 0.0072904800000000 ] - [ 0.0000960500000000, -0.0005504200000000, 0.0059697000000000 ] - [ 0.0002069500000000, -0.0000584500000000, 0.0067669000000000 ] - [ 0.0001916600000000, -0.0000681600000000, 0.0064873800000000 ] - [ -0.0076854400000000, -0.0046564100000000, 0.0067001000000000 ] - [ -0.0000703500000000, 0.0001278500000000, 0.0066267600000000 ] - [ -0.0044642600000000, -0.0087319200000000, 0.0066060400000000 ] - [ -0.0000085200000000, 0.0002476600000000, 0.0066308400000000 ] - [ 0.0003780000000000, 0.0002255300000000, -0.0070535600000000 ] - [ 0.0003663900000000, 0.0002270100000000, -0.0062053700000000 ] - [ -0.0001491900000000, -0.0002687500000000, -0.0065428500000000 ] - [ -0.0001492600000000, -0.0002735000000000, -0.0067124500000000 ] - [ 0.0078440400000000, -0.0063072100000000, 0.0064668800000000 ] - [ -0.0020123300000000, -0.0002205100000000, -0.0001457100000000 ] - [ -0.0022918400000000, -0.0003610300000000, -0.0004504900000000 ] - [ -0.0027255100000000, -0.0002633500000000, 0.0000446600000000 ] - [ 0.0130907900000000, -0.0056724800000000, -0.0064867000000000 ] - [ 0.0031913500000000, 0.0005352100000000, 0.0001430800000000 ] - [ 0.0028999300000000, 0.0003914300000000, 0.0004595600000000 ] - [ 0.0024642300000000, 0.0004885600000000, -0.0000381900000000 ] - [ -0.0068668700000000, 0.0043282100000000, 0.0010527600000000 ] - [ -0.0021076200000000, 0.0003417000000000, -0.0000328500000000 ] - [ -0.0031322900000000, -0.0000295400000000, 0.0000242000000000 ] - [ -0.0024422700000000, 0.0004351200000000, -0.0000842500000000 ] - [ -0.0016998300000000, 0.0035914100000000, -0.0010557000000000 ] - [ 0.0030862600000000, -0.0004145500000000, 0.0000346200000000 ] - [ 0.0020463600000000, -0.0007855000000000, -0.0000266900000000 ] - [ 0.0027449800000000, -0.0003186500000000, 0.0000852700000000 ] - [ -0.0076492000000000, -0.0071159400000000, -0.0000773700000000 ] - [ -0.0073464100000000, -0.0066025800000000, -0.0000128000000000 ] - [ -0.0147796400000000, -0.0082862500000000, 0.0059844700000000 ] - [ -0.0074717500000000, -0.0067754100000000, 0.0001073500000000 ] - [ 0.0074342500000000, 0.0061412900000000, 0.0000753800000000 ] - [ 0.0077272200000000, 0.0066538200000000, 0.0000110700000000 ] - [ 0.0002855300000000, 0.0050049100000000, -0.0059981000000000 ] - [ 0.0076080400000000, 0.0064851000000000, -0.0001080300000000 ] - [ -0.0080436800000000, 0.0065814200000000, 0.0002439200000000 ] - [ -0.0073977900000000, 0.0068012600000000, -0.0003157500000000 ] - [ -0.0031375500000000, 0.0082793100000000, -0.0015898300000000 ] - [ -0.0056481000000000, 0.0054678300000000, 0.0006603500000000 ] - [ 0.0070335700000000, -0.0066816500000000, -0.0002403000000000 ] - [ 0.0076796200000000, -0.0064584500000000, 0.0003087100000000 ] - [ 0.0119206500000000, -0.0049533400000000, 0.0016088800000000 ] - [ 0.0094246200000000, -0.0077602000000000, -0.0006706800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0052207000000000, 0.0011267900000000, -0.0016770700000000 ] - [ 0.0039386900000000, 0.0000823900000000, -0.0001012700000000 ] - [ 0.0190707700000000, 0.0452058900000000, 0.0224133400000000 ] - [ 0.0044850100000000, 0.0006077200000000, 0.0001752200000000 ] - [ -0.0022000600000000, 0.0012263900000000, 0.0016795700000000 ] - [ -0.0034993400000000, 0.0001783300000000, 0.0001010300000000 ] - [ 0.0109295100000000, 0.0449983100000000, -0.0214564200000000 ] - [ -0.0029526900000000, 0.0007063400000000, -0.0001763000000000 ] - [ 0.0036975200000000, -0.0001024100000000, 0.0000268500000000 ] - [ 0.0038894500000000, -0.0002377300000000, -0.0003992100000000 ] - [ 0.0053880300000000, -0.0014393800000000, -0.0008772300000000 ] - [ 0.0037643900000000, -0.0011382500000000, 0.0001532500000000 ] - [ -0.0037411600000000, -0.0002015400000000, -0.0000253800000000 ] - [ -0.0035443500000000, -0.0003352600000000, 0.0003972100000000 ] - [ -0.0020629500000000, -0.0015419500000000, 0.0009001900000000 ] - [ -0.0036639700000000, -0.0012304000000000, -0.0001526500000000 ] - [ 0.0139740000000000, 0.0385130100000000, -0.0224235600000000 ] - [ -0.0006666500000000, -0.0080223400000000, -0.0001295300000000 ] - [ 0.0011133300000000, -0.0069348300000000, 0.0017023000000000 ] - [ -0.0008991900000000, -0.0083769100000000, 0.0000704400000000 ] - [ 0.0153739000000000, 0.0555669400000000, 0.0216382700000000 ] - [ 0.0013135100000000, 0.0091400300000000, 0.0001277100000000 ] - [ 0.0031107100000000, 0.0102187700000000, -0.0016885500000000 ] - [ 0.0010845700000000, 0.0087817600000000, -0.0000690400000000 ] - [ -0.0002212800000000, 0.0071325800000000, 0.0008991400000000 ] - [ -0.0008825300000000, 0.0085116200000000, -0.0002835200000000 ] - [ -0.0009324000000000, 0.0083788900000000, -0.0000335300000000 ] - [ -0.0008007200000000, 0.0082446700000000, 0.0004806100000000 ] - [ 0.0017664100000000, -0.0100551700000000, -0.0009171600000000 ] - [ 0.0011051400000000, -0.0086520400000000, 0.0002850500000000 ] - [ 0.0010515300000000, -0.0087821800000000, 0.0000321700000000 ] - [ 0.0011857900000000, -0.0089185400000000, -0.0004803600000000 ] - [ -0.0392077200000000, 0.0866323100000000, 0.0017031700000000 ] - [ -0.0009991000000000, -0.0070374500000000, -0.0003415900000000 ] - [ -0.0006433100000000, -0.0066814800000000, -0.0004661300000000 ] - [ -0.0005835600000000, -0.0068576500000000, -0.0005917800000000 ] - [ -0.0345791600000000, 0.0955151300000000, -0.0026559200000000 ] - [ 0.0000047200000000, 0.0067826700000000, -0.0006198400000000 ] - [ 0.0003580700000000, 0.0071333100000000, -0.0004892600000000 ] - [ 0.0004206500000000, 0.0069611900000000, -0.0003694900000000 ] - [ -0.0025453000000000, 0.0075663800000000, 0.0020984600000000 ] - [ 0.0001709800000000, 0.0056666100000000, 0.0010019000000000 ] - [ -0.0010945000000000, 0.0065476900000000, -0.0001152800000000 ] - [ -0.0003709700000000, 0.0058543700000000, -0.0001589300000000 ] - [ -0.0015152000000000, -0.0062776900000000, -0.0011215100000000 ] - [ 0.0011685100000000, -0.0081547700000000, -0.0000348800000000 ] - [ -0.0001124900000000, -0.0072852900000000, 0.0010810300000000 ] - [ 0.0006309800000000, -0.0079613400000000, 0.0011151300000000 ] - [ -0.0018478600000000, 0.0052472100000000, -0.0004149100000000 ] - [ -0.0006259100000000, 0.0059905500000000, -0.0003588300000000 ] - [ -0.0008477200000000, 0.0069649200000000, -0.0006464400000000 ] - [ -0.0003426300000000, 0.0064699200000000, -0.0003151000000000 ] - [ -0.0008244500000000, -0.0085623000000000, -0.0005554800000000 ] - [ 0.0003737300000000, -0.0078316000000000, -0.0006025900000000 ] - [ 0.0001569200000000, -0.0068567900000000, -0.0003121300000000 ] - [ 0.0006588600000000, -0.0073494400000000, -0.0006474800000000 ] - [ -0.0015691100000000, -0.0067778300000000, 0.0029205400000000 ] - [ -0.0007814600000000, -0.0070045000000000, 0.0008476600000000 ] - [ -0.0002631900000000, -0.0059853200000000, -0.0017238000000000 ] - [ -0.0009797700000000, -0.0068689200000000, 0.0000980600000000 ] - [ -0.0005976400000000, 0.0070521200000000, -0.0019497000000000 ] - [ 0.0002273600000000, 0.0068142600000000, 0.0001147700000000 ] - [ 0.0007295400000000, 0.0078389200000000, 0.0026689900000000 ] - [ 0.0000279400000000, 0.0069488000000000, 0.0008619300000000 ] - [ 0.0249184300000000, -0.4227699700000000, -0.0068621200000000 ] - [ 0.0003351900000000, -0.0007291000000000, -0.0066261500000000 ] - [ -0.0003818800000000, -0.0005471500000000, -0.0066291700000000 ] - [ 0.0000637900000000, -0.0001898800000000, -0.0066283300000000 ] - [ 0.0005371600000000, 0.0010635500000000, 0.0061186100000000 ] - [ 0.0005471400000000, 0.0010615800000000, 0.0071359700000000 ] - [ 0.0000673700000000, 0.0010229900000000, 0.0072611700000000 ] - [ 0.0000598600000000, 0.0010116300000000, 0.0060021600000000 ] - [ -0.0046559800000000, -0.0047887300000000, 0.0065879500000000 ] - [ 0.0001277000000000, -0.0004998600000000, 0.0066284200000000 ] - [ -0.0087314100000000, -0.0069508900000000, 0.0066570600000000 ] - [ 0.0002481000000000, -0.0006493600000000, 0.0066266600000000 ] - [ -0.0002224200000000, 0.0025038000000000, -0.0067436300000000 ] - [ -0.0002299700000000, 0.0025192600000000, -0.0065157000000000 ] - [ 0.0002704500000000, 0.0002374200000000, -0.0066037300000000 ] - [ 0.0002721300000000, 0.0002366500000000, -0.0066554200000000 ] - [ -0.0139049900000000, -0.0004039000000000, -0.0105088800000000 ] - [ -0.0015593900000000, -0.0004013000000000, -0.0002683200000000 ] - [ -0.0031245800000000, -0.0002557400000000, 0.0004813900000000 ] - [ -0.0024630300000000, -0.0002745800000000, 0.0004317300000000 ] - [ -0.0086492400000000, 0.0002826000000000, 0.0105238200000000 ] - [ 0.0036148200000000, 0.0003618600000000, 0.0002667000000000 ] - [ 0.0020816200000000, 0.0004946000000000, -0.0004765200000000 ] - [ 0.0027216300000000, 0.0004808000000000, -0.0004329100000000 ] - [ 0.0053816900000000, 0.0125899500000000, -0.0092418800000000 ] - [ -0.0031479800000000, 0.0004764300000000, 0.0002037200000000 ] - [ -0.0019850600000000, 0.0001156800000000, 0.0006523100000000 ] - [ -0.0028725900000000, 0.0002718000000000, 0.0001583400000000 ] - [ 0.0104662700000000, 0.0116672100000000, 0.0091505200000000 ] - [ 0.0020448200000000, -0.0002757700000000, -0.0002041600000000 ] - [ 0.0031946600000000, -0.0006510400000000, -0.0006603400000000 ] - [ 0.0023151600000000, -0.0004809000000000, -0.0001584000000000 ] - [ -0.0070445400000000, -0.0063077300000000, 0.0006461900000000 ] - [ -0.0078660800000000, -0.0065321300000000, 0.0000351200000000 ] - [ -0.0055218200000000, 0.0130865400000000, -0.0149048300000000 ] - [ -0.0074454000000000, -0.0063794000000000, -0.0000451100000000 ] - [ 0.0080348500000000, 0.0069602200000000, -0.0006625700000000 ] - [ 0.0072138200000000, 0.0067237400000000, -0.0000370900000000 ] - [ 0.0094096400000000, 0.0266457400000000, 0.0150114700000000 ] - [ 0.0076369000000000, 0.0068753100000000, 0.0000449800000000 ] - [ -0.0076198200000000, 0.0062034700000000, 0.0004315100000000 ] - [ -0.0080424400000000, 0.0067736700000000, 0.0006003300000000 ] - [ -0.0041701400000000, 0.0096133100000000, -0.0005726700000000 ] - [ -0.0112164800000000, 0.0065460400000000, -0.0014196900000000 ] - [ 0.0074695600000000, -0.0070562100000000, -0.0004334000000000 ] - [ 0.0070320000000000, -0.0064930700000000, -0.0005944400000000 ] - [ 0.0109231300000000, -0.0036216500000000, 0.0006084500000000 ] - [ 0.0038744900000000, -0.0067130000000000, 0.0014087200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0035438300000000, 0.0005806000000000, -0.0070654100000000 ] - [ 0.0034893100000000, -0.0001700000000000, -0.0001244200000000 ] - [ 0.0209763900000000, 0.0136657400000000, 0.0685473600000000 ] - [ 0.0039213700000000, -0.0002346300000000, -0.0000176200000000 ] - [ -0.0035438300000000, -0.0005806000000000, -0.0070654100000000 ] - [ -0.0034893100000000, 0.0001700000000000, -0.0001244200000000 ] - [ -0.0209763900000000, -0.0136657400000000, 0.0685473600000000 ] - [ -0.0039213700000000, 0.0002346300000000, -0.0000176200000000 ] - [ 0.0032585600000000, 0.0002327100000000, -0.0002125600000000 ] - [ 0.0036385000000000, 0.0004314700000000, -0.0001911200000000 ] - [ 0.0046018100000000, -0.0003384500000000, 0.0007124500000000 ] - [ 0.0037720900000000, -0.0017508400000000, 0.0002210800000000 ] - [ -0.0032585600000000, -0.0002327100000000, -0.0002125600000000 ] - [ -0.0036385000000000, -0.0004314700000000, -0.0001911200000000 ] - [ -0.0046018100000000, 0.0003384500000000, 0.0007124500000000 ] - [ -0.0037720900000000, 0.0017508400000000, 0.0002210800000000 ] - [ -0.0220407800000000, -0.0212438000000000, 0.0653514400000000 ] - [ -0.0011745300000000, -0.0084396800000000, 0.0000579500000000 ] - [ -0.0009245300000000, -0.0087479800000000, -0.0065122500000000 ] - [ -0.0008755000000000, -0.0085052200000000, -0.0001554800000000 ] - [ 0.0220407800000000, 0.0212438000000000, 0.0653514400000000 ] - [ 0.0011745300000000, 0.0084396800000000, 0.0000579500000000 ] - [ 0.0009245300000000, 0.0087479800000000, -0.0065122500000000 ] - [ 0.0008755000000000, 0.0085052200000000, -0.0001554800000000 ] - [ -0.0007743200000000, 0.0093790600000000, 0.0009723900000000 ] - [ -0.0010903100000000, 0.0089048200000000, 0.0003922400000000 ] - [ -0.0007774500000000, 0.0084354200000000, -0.0003606400000000 ] - [ -0.0008485000000000, 0.0083993500000000, -0.0003368300000000 ] - [ 0.0007743200000000, -0.0093790600000000, 0.0009723900000000 ] - [ 0.0010903100000000, -0.0089048200000000, 0.0003922400000000 ] - [ 0.0007774500000000, -0.0084354200000000, -0.0003606400000000 ] - [ 0.0008485000000000, -0.0083993500000000, -0.0003368300000000 ] - [ 0.0034923000000000, -0.0051445700000000, 0.0411849900000000 ] - [ -0.0007236100000000, -0.0069578200000000, 0.0009149800000000 ] - [ -0.0008361900000000, -0.0071776600000000, -0.0018080800000000 ] - [ -0.0005892900000000, -0.0069748500000000, -0.0010418000000000 ] - [ -0.0034923000000000, 0.0051445700000000, 0.0411849900000000 ] - [ 0.0007236100000000, 0.0069578200000000, 0.0009149800000000 ] - [ 0.0008361900000000, 0.0071776600000000, -0.0018080800000000 ] - [ 0.0005892900000000, 0.0069748500000000, -0.0010418000000000 ] - [ 0.0008627800000000, 0.0089615800000000, 0.0001687600000000 ] - [ -0.0012646200000000, 0.0062708000000000, 0.0003086800000000 ] - [ -0.0010691900000000, 0.0046644700000000, -0.0000831100000000 ] - [ -0.0000932000000000, 0.0075265900000000, 0.0004992500000000 ] - [ -0.0008627800000000, -0.0089615800000000, 0.0001687600000000 ] - [ 0.0012646200000000, -0.0062708000000000, 0.0003086800000000 ] - [ 0.0010691900000000, -0.0046644700000000, -0.0000831100000000 ] - [ 0.0000932000000000, -0.0075265900000000, 0.0004992500000000 ] - [ 0.0007001600000000, 0.0063571100000000, 0.0017297700000000 ] - [ -0.0010697700000000, 0.0070485000000000, 0.0005177300000000 ] - [ -0.0007703000000000, 0.0071146900000000, -0.0014695000000000 ] - [ -0.0004217300000000, 0.0068485200000000, -0.0009449700000000 ] - [ -0.0007001600000000, -0.0063571100000000, 0.0017297700000000 ] - [ 0.0010697700000000, -0.0070485000000000, 0.0005177300000000 ] - [ 0.0007703000000000, -0.0071146900000000, -0.0014695000000000 ] - [ 0.0004217300000000, -0.0068485200000000, -0.0009449700000000 ] - [ -0.0009737800000000, -0.0065364400000000, -0.0013814500000000 ] - [ 0.0000003000000000, -0.0067873500000000, 0.0001367600000000 ] - [ -0.0001539200000000, -0.0076416300000000, -0.0016565000000000 ] - [ -0.0012848500000000, -0.0071019000000000, 0.0000294800000000 ] - [ 0.0009737800000000, 0.0065364400000000, -0.0013814500000000 ] - [ -0.0000003000000000, 0.0067873500000000, 0.0001367600000000 ] - [ 0.0001539200000000, 0.0076416300000000, -0.0016565000000000 ] - [ 0.0012848500000000, 0.0071019000000000, 0.0000294800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4403780400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0066913100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061994500000000 ] - [ 0.0006649300000000, 0.0005150500000000, 0.0060266100000000 ] - [ -0.0006649300000000, -0.0005150500000000, 0.0060266100000000 ] - [ 0.0001401100000000, -0.0006262200000000, 0.0064727200000000 ] - [ -0.0001401100000000, 0.0006262200000000, 0.0064727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0625037900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0574388500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067032600000000 ] - [ 0.0004249600000000, -0.0001162400000000, -0.0073163800000000 ] - [ -0.0004249600000000, 0.0001162400000000, -0.0073163800000000 ] - [ -0.0000842400000000, 0.0000270600000000, -0.0059594500000000 ] - [ 0.0000842400000000, -0.0000270600000000, -0.0059594500000000 ] - [ 0.0028665900000000, -0.0081171600000000, -0.0011820600000000 ] - [ -0.0054739400000000, -0.0008110600000000, -0.0011084900000000 ] - [ -0.0038664500000000, 0.0002698700000000, 0.0014651700000000 ] - [ -0.0021328700000000, -0.0002211100000000, 0.0009610700000000 ] - [ -0.0028665900000000, 0.0081171600000000, -0.0011820600000000 ] - [ 0.0054739400000000, 0.0008110600000000, -0.0011084900000000 ] - [ 0.0038664500000000, -0.0002698700000000, 0.0014651700000000 ] - [ 0.0021328700000000, 0.0002211100000000, 0.0009610700000000 ] - [ -0.0026955600000000, -0.0154459800000000, -0.0007423300000000 ] - [ -0.0022380800000000, 0.0004202100000000, -0.0003386200000000 ] - [ -0.0026583000000000, 0.0022479500000000, 0.0013648600000000 ] - [ -0.0026238700000000, 0.0005079000000000, 0.0003809300000000 ] - [ 0.0026955600000000, 0.0154459800000000, -0.0007423300000000 ] - [ 0.0022380800000000, -0.0004202100000000, -0.0003386200000000 ] - [ 0.0026583000000000, -0.0022479500000000, 0.0013648600000000 ] - [ 0.0026238700000000, -0.0005079000000000, 0.0003809300000000 ] - [ -0.0080309400000000, -0.0050568600000000, 0.0018030900000000 ] - [ -0.0074579800000000, -0.0065626000000000, 0.0002844700000000 ] - [ 0.0002928500000000, -0.0221358100000000, 0.0001063300000000 ] - [ -0.0080509600000000, -0.0068184500000000, -0.0002857300000000 ] - [ 0.0080309400000000, 0.0050568600000000, 0.0018030900000000 ] - [ 0.0074579800000000, 0.0065626000000000, 0.0002844700000000 ] - [ -0.0002928500000000, 0.0221358100000000, 0.0001063300000000 ] - [ 0.0080509600000000, 0.0068184500000000, -0.0002857300000000 ] - [ -0.0058846200000000, 0.0074488700000000, 0.0013437700000000 ] - [ -0.0080277200000000, 0.0065988400000000, 0.0004690500000000 ] - [ -0.0189513600000000, -0.0000009200000000, -0.0017307500000000 ] - [ -0.0071249200000000, 0.0054412900000000, -0.0009274800000000 ] - [ 0.0058846200000000, -0.0074488700000000, 0.0013437700000000 ] - [ 0.0080277200000000, -0.0065988400000000, 0.0004690500000000 ] - [ 0.0189513600000000, 0.0000009200000000, -0.0017307500000000 ] - [ 0.0071249200000000, -0.0054412900000000, -0.0009274800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0039394300000000, -0.0006423100000000, 0.0070493400000000 ] - [ 0.0039448400000000, 0.0000675000000000, 0.0001256000000000 ] - [ -0.0115397100000000, -0.0118461400000000, -0.0649599800000000 ] - [ 0.0035148500000000, 0.0001364400000000, 0.0000189800000000 ] - [ -0.0039394300000000, 0.0006423100000000, 0.0070493400000000 ] - [ -0.0039448400000000, -0.0000675000000000, 0.0001256000000000 ] - [ 0.0115397100000000, 0.0118461400000000, -0.0649599800000000 ] - [ -0.0035148500000000, -0.0001364400000000, 0.0000189800000000 ] - [ 0.0041761900000000, -0.0001332600000000, 0.0002128800000000 ] - [ 0.0037985300000000, -0.0003314000000000, 0.0001888900000000 ] - [ 0.0028366900000000, 0.0004406000000000, -0.0007108100000000 ] - [ 0.0036639200000000, 0.0018566500000000, -0.0002183000000000 ] - [ -0.0041761900000000, 0.0001332600000000, 0.0002128800000000 ] - [ -0.0037985300000000, 0.0003314000000000, 0.0001888900000000 ] - [ -0.0028366900000000, -0.0004406000000000, -0.0007108100000000 ] - [ -0.0036639200000000, -0.0018566500000000, -0.0002183000000000 ] - [ 0.0223709800000000, 0.0057830700000000, -0.0689637400000000 ] - [ -0.0008088800000000, -0.0087196500000000, -0.0000560300000000 ] - [ -0.0010172800000000, -0.0083752400000000, 0.0065133900000000 ] - [ -0.0011113200000000, -0.0086573300000000, 0.0001523800000000 ] - [ -0.0223709800000000, -0.0057830700000000, -0.0689637400000000 ] - [ 0.0008088800000000, 0.0087196500000000, -0.0000560300000000 ] - [ 0.0010172800000000, 0.0083752400000000, 0.0065133900000000 ] - [ 0.0011113200000000, 0.0086573300000000, 0.0001523800000000 ] - [ -0.0012117200000000, 0.0077841400000000, -0.0009792100000000 ] - [ -0.0008969300000000, 0.0082543900000000, -0.0003926900000000 ] - [ -0.0012078300000000, 0.0087247000000000, 0.0003617100000000 ] - [ -0.0011362700000000, 0.0087610900000000, 0.0003395100000000 ] - [ 0.0012117200000000, -0.0077841400000000, -0.0009792100000000 ] - [ 0.0008969300000000, -0.0082543900000000, -0.0003926900000000 ] - [ 0.0012078300000000, -0.0087247000000000, 0.0003617100000000 ] - [ 0.0011362700000000, -0.0087610900000000, 0.0003395100000000 ] - [ -0.0043596700000000, -0.0088851100000000, -0.0421640800000000 ] - [ -0.0002672500000000, -0.0068580000000000, -0.0018759700000000 ] - [ -0.0001671100000000, -0.0066416500000000, 0.0008464900000000 ] - [ -0.0004103000000000, -0.0068452500000000, 0.0000823600000000 ] - [ 0.0043596700000000, 0.0088851100000000, -0.0421640800000000 ] - [ 0.0002672500000000, 0.0068580000000000, -0.0018759700000000 ] - [ 0.0001671100000000, 0.0066416500000000, 0.0008464900000000 ] - [ 0.0004103000000000, 0.0068452500000000, 0.0000823600000000 ] - [ -0.0018595100000000, 0.0048830600000000, 0.0008039800000000 ] - [ 0.0002652300000000, 0.0075274900000000, 0.0006624800000000 ] - [ 0.0000706500000000, 0.0091752800000000, 0.0010460900000000 ] - [ -0.0009132600000000, 0.0062786100000000, 0.0004545200000000 ] - [ 0.0018595100000000, -0.0048830600000000, 0.0008039800000000 ] - [ -0.0002652300000000, -0.0075274900000000, 0.0006624800000000 ] - [ -0.0000706500000000, -0.0091752800000000, 0.0010460900000000 ] - [ 0.0009132600000000, -0.0062786100000000, 0.0004545200000000 ] - [ -0.0017150000000000, 0.0074567800000000, -0.0026942700000000 ] - [ 0.0000644300000000, 0.0067632100000000, -0.0014809800000000 ] - [ -0.0002309900000000, 0.0067086200000000, 0.0005082200000000 ] - [ -0.0005807800000000, 0.0069701300000000, -0.0000128700000000 ] - [ 0.0017150000000000, -0.0074567800000000, -0.0026942700000000 ] - [ -0.0000644300000000, -0.0067632100000000, -0.0014809800000000 ] - [ 0.0002309900000000, -0.0067086200000000, 0.0005082200000000 ] - [ 0.0005807800000000, -0.0069701300000000, -0.0000128700000000 ] - [ -0.0000613000000000, -0.0072637600000000, 0.0023915800000000 ] - [ -0.0010015400000000, -0.0070302000000000, 0.0008234400000000 ] - [ -0.0008754600000000, -0.0061512800000000, 0.0025707700000000 ] - [ 0.0002869200000000, -0.0067191600000000, 0.0009319300000000 ] - [ 0.0000613000000000, 0.0072637600000000, 0.0023915800000000 ] - [ 0.0010015400000000, 0.0070302000000000, 0.0008234400000000 ] - [ 0.0008754600000000, 0.0061512800000000, 0.0025707700000000 ] - [ -0.0002869200000000, 0.0067191600000000, 0.0009319300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4272339900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0065644400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0143095200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070552300000000 ] - [ -0.0006555300000000, -0.0005029500000000, 0.0072242900000000 ] - [ 0.0006555300000000, 0.0005029500000000, 0.0072242900000000 ] - [ -0.0001396400000000, 0.0006329400000000, 0.0067824700000000 ] - [ 0.0001396400000000, -0.0006329400000000, 0.0067824700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0499590300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066242800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0435026900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0065548000000000 ] - [ -0.0004227800000000, 0.0001114000000000, -0.0059346300000000 ] - [ 0.0004227800000000, -0.0001114000000000, -0.0059346300000000 ] - [ 0.0000849800000000, -0.0000245800000000, -0.0072971100000000 ] - [ -0.0000849800000000, 0.0000245800000000, -0.0072971100000000 ] - [ -0.0081614800000000, 0.0074098800000000, 0.0011232100000000 ] - [ 0.0002725800000000, 0.0000569300000000, 0.0011103000000000 ] - [ -0.0013257800000000, -0.0010255100000000, -0.0014631300000000 ] - [ -0.0030580200000000, -0.0005311800000000, -0.0009610700000000 ] - [ 0.0081614800000000, -0.0074098800000000, 0.0011232100000000 ] - [ -0.0002725800000000, -0.0000569300000000, 0.0011103000000000 ] - [ 0.0013257800000000, 0.0010255100000000, -0.0014631300000000 ] - [ 0.0030580200000000, 0.0005311800000000, -0.0009610700000000 ] - [ -0.0024252500000000, 0.0162455900000000, 0.0006722500000000 ] - [ -0.0029552100000000, 0.0003364700000000, 0.0003400700000000 ] - [ -0.0025209500000000, -0.0014972600000000, -0.0013655500000000 ] - [ -0.0025625400000000, 0.0002464000000000, -0.0003812900000000 ] - [ 0.0024252500000000, -0.0162455900000000, 0.0006722500000000 ] - [ 0.0029552100000000, -0.0003364700000000, 0.0003400700000000 ] - [ 0.0025209500000000, 0.0014972600000000, -0.0013655500000000 ] - [ 0.0025625400000000, -0.0002464000000000, -0.0003812900000000 ] - [ -0.0070550800000000, -0.0082063900000000, -0.0018021600000000 ] - [ -0.0076168000000000, -0.0066939700000000, -0.0002850700000000 ] - [ -0.0154337200000000, 0.0087317900000000, -0.0000161700000000 ] - [ -0.0070211300000000, -0.0064378100000000, 0.0002844600000000 ] - [ 0.0070550800000000, 0.0082063900000000, -0.0018021600000000 ] - [ 0.0076168000000000, 0.0066939700000000, -0.0002850700000000 ] - [ 0.0154337200000000, -0.0087317900000000, -0.0000161700000000 ] - [ 0.0070211300000000, 0.0064378100000000, 0.0002844600000000 ] - [ -0.0091830000000000, 0.0058101600000000, -0.0013387200000000 ] - [ -0.0070486200000000, 0.0066574600000000, -0.0004747900000000 ] - [ 0.0038710100000000, 0.0132650900000000, 0.0017594200000000 ] - [ -0.0079259100000000, 0.0078045500000000, 0.0009365100000000 ] - [ 0.0091830000000000, -0.0058101600000000, -0.0013387200000000 ] - [ 0.0070486200000000, -0.0066574600000000, -0.0004747900000000 ] - [ -0.0038710100000000, -0.0132650900000000, 0.0017594200000000 ] - [ 0.0079259100000000, -0.0078045500000000, 0.0009365100000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024330200000000, 0.0000845300000000, 0.0013043100000000 ] - [ 0.0034980400000000, -0.0003097700000000, -0.0003294500000000 ] - [ 0.0024330200000000, 0.0000845300000000, -0.0013043100000000 ] - [ 0.0034980400000000, -0.0003097700000000, 0.0003294500000000 ] - [ -0.0032903700000000, 0.0005854000000000, 0.0007853000000000 ] - [ -0.0043705800000000, -0.0003885000000000, -0.0012445800000000 ] - [ -0.0032903700000000, 0.0005854000000000, -0.0007853000000000 ] - [ -0.0043705800000000, -0.0003885000000000, 0.0012445800000000 ] - [ 0.0053304000000000, 0.0001627900000000, 0.0001927900000000 ] - [ 0.0029228300000000, 0.0000199000000000, 0.0002458500000000 ] - [ 0.0053304000000000, 0.0001627900000000, -0.0001927900000000 ] - [ 0.0029228300000000, 0.0000199000000000, -0.0002458500000000 ] - [ -0.0042106300000000, 0.0001214100000000, 0.0000464600000000 ] - [ -0.0030791700000000, -0.0001810000000000, 0.0006670300000000 ] - [ -0.0042106300000000, 0.0001214100000000, -0.0000464600000000 ] - [ -0.0030791700000000, -0.0001810000000000, -0.0006670300000000 ] - [ -0.0014668200000000, -0.0071273100000000, 0.0000000000000000 ] - [ -0.0039954700000000, -0.0108888400000000, 0.0000000000000000 ] - [ -0.0013121100000000, -0.0085778800000000, 0.0000000000000000 ] - [ -0.0007926500000000, -0.0086379300000000, 0.0000000000000000 ] - [ 0.0015727200000000, 0.0089759600000000, 0.0000000000000000 ] - [ 0.0008333500000000, 0.0087133400000000, 0.0000000000000000 ] - [ 0.0013725600000000, 0.0089555200000000, 0.0000000000000000 ] - [ 0.0007989500000000, 0.0084457100000000, 0.0000000000000000 ] - [ 0.0065103400000000, 0.0175713500000000, 0.0000000000000000 ] - [ -0.0013771600000000, 0.0086001200000000, 0.0000000000000000 ] - [ -0.0008137700000000, 0.0086126400000000, 0.0000000000000000 ] - [ -0.0011892000000000, 0.0086588700000000, 0.0000000000000000 ] - [ -0.0000858200000000, -0.0085688200000000, 0.0000000000000000 ] - [ 0.0017666000000000, -0.0093736600000000, 0.0000000000000000 ] - [ 0.0008047700000000, -0.0084177600000000, 0.0000000000000000 ] - [ 0.0012346200000000, -0.0086800600000000, 0.0000000000000000 ] - [ 0.0211615100000000, -0.0047357500000000, 0.0170922400000000 ] - [ -0.0015081200000000, -0.0075206700000000, -0.0002184100000000 ] - [ 0.0007615200000000, -0.0059780200000000, 0.0012494400000000 ] - [ -0.0010989100000000, -0.0076755800000000, -0.0009295000000000 ] - [ -0.0023852100000000, 0.0108027200000000, -0.0002492200000000 ] - [ 0.0002289100000000, 0.0068790800000000, 0.0000038000000000 ] - [ 0.0000065500000000, 0.0069070900000000, 0.0000240500000000 ] - [ 0.0008174800000000, 0.0069239100000000, -0.0006904700000000 ] - [ -0.0027649400000000, 0.0069471800000000, 0.0019890100000000 ] - [ -0.0036714400000000, 0.0104502800000000, -0.0055646700000000 ] - [ -0.0014726800000000, 0.0068465300000000, 0.0003135800000000 ] - [ -0.0008518800000000, 0.0077648700000000, 0.0020837700000000 ] - [ 0.0030168800000000, -0.0048238300000000, 0.0006910700000000 ] - [ -0.0000813500000000, -0.0070637900000000, 0.0004430000000000 ] - [ 0.0011275500000000, -0.0066685600000000, 0.0006098400000000 ] - [ 0.0002162900000000, -0.0069471000000000, 0.0004626600000000 ] - [ -0.0027649400000000, 0.0069471800000000, -0.0019890100000000 ] - [ -0.0036714400000000, 0.0104502800000000, 0.0055646700000000 ] - [ -0.0014726800000000, 0.0068465300000000, -0.0003135800000000 ] - [ -0.0008518800000000, 0.0077648700000000, -0.0020837700000000 ] - [ 0.0030168800000000, -0.0048238300000000, -0.0006910700000000 ] - [ -0.0000813500000000, -0.0070637900000000, -0.0004430000000000 ] - [ 0.0011275500000000, -0.0066685600000000, -0.0006098400000000 ] - [ 0.0002162900000000, -0.0069471000000000, -0.0004626600000000 ] - [ 0.0211615100000000, -0.0047357500000000, -0.0170922400000000 ] - [ -0.0015081200000000, -0.0075206700000000, 0.0002184100000000 ] - [ 0.0007615200000000, -0.0059780200000000, -0.0012494400000000 ] - [ -0.0010989100000000, -0.0076755800000000, 0.0009295000000000 ] - [ -0.0023852100000000, 0.0108027200000000, 0.0002492200000000 ] - [ 0.0002289100000000, 0.0068790800000000, -0.0000038000000000 ] - [ 0.0000065500000000, 0.0069070900000000, -0.0000240500000000 ] - [ 0.0008174800000000, 0.0069239100000000, 0.0006904700000000 ] - [ 0.0105152600000000, -0.0113014800000000, -0.0010587000000000 ] - [ 0.0005847100000000, 0.0010183300000000, -0.0094755000000000 ] - [ 0.0003042600000000, -0.0005209300000000, -0.0078980600000000 ] - [ -0.0001300300000000, 0.0001295300000000, -0.0061663800000000 ] - [ -0.0042449600000000, -0.0079196100000000, 0.0067986000000000 ] - [ 0.0004917400000000, 0.0005542800000000, 0.0062661100000000 ] - [ -0.0005442400000000, -0.0006031300000000, 0.0066942600000000 ] - [ 0.0001518400000000, 0.0002783200000000, 0.0066594500000000 ] - [ 0.0105152600000000, -0.0113014800000000, 0.0010587000000000 ] - [ 0.0005847100000000, 0.0010183300000000, 0.0094755000000000 ] - [ 0.0003042600000000, -0.0005209300000000, 0.0078980600000000 ] - [ -0.0001300300000000, 0.0001295300000000, 0.0061663800000000 ] - [ -0.0042449600000000, -0.0079196100000000, -0.0067986000000000 ] - [ 0.0004917400000000, 0.0005542800000000, -0.0062661100000000 ] - [ -0.0005442400000000, -0.0006031300000000, -0.0066942600000000 ] - [ 0.0001518400000000, 0.0002783200000000, -0.0066594500000000 ] - [ -0.0809406300000000, -0.0131614400000000, 0.0000000000000000 ] - [ -0.0005922900000000, -0.0004758500000000, 0.0000000000000000 ] - [ -0.0049196900000000, -0.0000268300000000, 0.0000000000000000 ] - [ -0.0014858600000000, -0.0006203100000000, 0.0000000000000000 ] - [ 0.0053726300000000, -0.0000436300000000, 0.0000000000000000 ] - [ 0.0027124600000000, 0.0051201200000000, 0.0000000000000000 ] - [ 0.0034537100000000, 0.0002053500000000, 0.0000000000000000 ] - [ 0.0021050400000000, 0.0004955400000000, 0.0000000000000000 ] - [ 0.0116463900000000, 0.0071775000000000, 0.0000000000000000 ] - [ 0.0114803600000000, -0.0039243400000000, 0.0000000000000000 ] - [ -0.0019271700000000, 0.0006243600000000, 0.0000000000000000 ] - [ -0.0019226900000000, 0.0005635300000000, 0.0000000000000000 ] - [ -0.0000074700000000, -0.0033894500000000, 0.0000000000000000 ] - [ 0.0035232900000000, -0.0004488100000000, 0.0000000000000000 ] - [ 0.0021113500000000, -0.0007322500000000, 0.0000000000000000 ] - [ 0.0029175400000000, -0.0002855500000000, 0.0000000000000000 ] - [ -0.0077410600000000, -0.0075162300000000, -0.0009242200000000 ] - [ -0.0075601200000000, -0.0064809600000000, 0.0003610900000000 ] - [ -0.0077410600000000, -0.0075162300000000, 0.0009242200000000 ] - [ -0.0075601200000000, -0.0064809600000000, -0.0003610900000000 ] - [ 0.0097838600000000, 0.0118813300000000, -0.0064561500000000 ] - [ 0.0096230200000000, 0.0069206800000000, 0.0008853800000000 ] - [ 0.0097838600000000, 0.0118813300000000, 0.0064561500000000 ] - [ 0.0096230200000000, 0.0069206800000000, -0.0008853800000000 ] - [ -0.0087758200000000, 0.0060771100000000, 0.0004782800000000 ] - [ -0.0064478500000000, 0.0067865600000000, -0.0002723100000000 ] - [ -0.0087758200000000, 0.0060771100000000, -0.0004782800000000 ] - [ -0.0064478500000000, 0.0067865600000000, 0.0002723100000000 ] - [ 0.0091919900000000, -0.0066697400000000, -0.0002778800000000 ] - [ 0.0033677700000000, -0.0045067900000000, 0.0089889600000000 ] - [ 0.0091919900000000, -0.0066697400000000, 0.0002778800000000 ] - [ 0.0033677700000000, -0.0045067900000000, -0.0089889600000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0050054000000000, -0.0002011400000000, -0.0013029500000000 ] - [ 0.0039357400000000, 0.0002105600000000, 0.0003356700000000 ] - [ 0.0050054000000000, -0.0002011400000000, 0.0013029500000000 ] - [ 0.0039357400000000, 0.0002105600000000, -0.0003356700000000 ] - [ -0.0041367600000000, -0.0004724400000000, -0.0007772100000000 ] - [ -0.0030615800000000, 0.0004951800000000, 0.0012630900000000 ] - [ -0.0041367600000000, -0.0004724400000000, 0.0007772100000000 ] - [ -0.0030615800000000, 0.0004951800000000, -0.0012630900000000 ] - [ 0.0021028800000000, -0.0000647400000000, -0.0001926500000000 ] - [ 0.0045133600000000, 0.0000775100000000, -0.0002431600000000 ] - [ 0.0021028800000000, -0.0000647400000000, 0.0001926500000000 ] - [ 0.0045133600000000, 0.0000775100000000, 0.0002431600000000 ] - [ -0.0032239500000000, -0.0002193600000000, -0.0000437100000000 ] - [ -0.0043726600000000, 0.0000916800000000, -0.0006963400000000 ] - [ -0.0032239500000000, -0.0002193600000000, 0.0000437100000000 ] - [ -0.0043726600000000, 0.0000916800000000, 0.0006963400000000 ] - [ -0.0005281700000000, -0.0100287300000000, 0.0000000000000000 ] - [ 0.0020431300000000, -0.0062420100000000, 0.0000000000000000 ] - [ -0.0006764700000000, -0.0085889000000000, 0.0000000000000000 ] - [ -0.0011938300000000, -0.0085248500000000, 0.0000000000000000 ] - [ 0.0004762100000000, 0.0080944200000000, 0.0000000000000000 ] - [ 0.0011485600000000, 0.0084444900000000, 0.0000000000000000 ] - [ 0.0006135900000000, 0.0082077800000000, 0.0000000000000000 ] - [ 0.0011841500000000, 0.0087143700000000, 0.0000000000000000 ] - [ -0.0085629100000000, -0.0003526800000000, 0.0000000000000000 ] - [ -0.0006038300000000, 0.0085552300000000, 0.0000000000000000 ] - [ -0.0011664500000000, 0.0085445800000000, 0.0000000000000000 ] - [ -0.0007950500000000, 0.0085009700000000, 0.0000000000000000 ] - [ 0.0020634700000000, -0.0086009300000000, 0.0000000000000000 ] - [ 0.0002173700000000, -0.0077989500000000, 0.0000000000000000 ] - [ 0.0011798400000000, -0.0087436700000000, 0.0000000000000000 ] - [ 0.0007501700000000, -0.0084788800000000, 0.0000000000000000 ] - [ -0.0211831800000000, -0.0090258900000000, -0.0170099200000000 ] - [ 0.0005068400000000, -0.0062916400000000, -0.0007495600000000 ] - [ -0.0017634400000000, -0.0078447700000000, -0.0022081400000000 ] - [ 0.0000955300000000, -0.0061385000000000, -0.0000266600000000 ] - [ 0.0033835500000000, 0.0030221800000000, -0.0007151900000000 ] - [ 0.0007715000000000, 0.0069426000000000, -0.0009633000000000 ] - [ 0.0009983900000000, 0.0069106200000000, -0.0009836500000000 ] - [ 0.0001856800000000, 0.0068946400000000, -0.0002694900000000 ] - [ 0.0017418500000000, 0.0068777000000000, -0.0010076200000000 ] - [ 0.0026031300000000, 0.0033764500000000, 0.0065404600000000 ] - [ 0.0004734500000000, 0.0069690600000000, 0.0006446500000000 ] - [ -0.0001557200000000, 0.0060601200000000, -0.0011222400000000 ] - [ -0.0020221100000000, -0.0090107600000000, 0.0002671500000000 ] - [ 0.0010806900000000, -0.0067523900000000, 0.0005188600000000 ] - [ -0.0001206300000000, -0.0071486900000000, 0.0003509000000000 ] - [ 0.0007846500000000, -0.0068673000000000, 0.0004945100000000 ] - [ 0.0017418500000000, 0.0068777000000000, 0.0010076200000000 ] - [ 0.0026031300000000, 0.0033764500000000, -0.0065404600000000 ] - [ 0.0004734500000000, 0.0069690600000000, -0.0006446500000000 ] - [ -0.0001557200000000, 0.0060601200000000, 0.0011222400000000 ] - [ -0.0020221100000000, -0.0090107600000000, -0.0002671500000000 ] - [ 0.0010806900000000, -0.0067523900000000, -0.0005188600000000 ] - [ -0.0001206300000000, -0.0071486900000000, -0.0003509000000000 ] - [ 0.0007846500000000, -0.0068673000000000, -0.0004945100000000 ] - [ -0.0211831800000000, -0.0090258900000000, 0.0170099200000000 ] - [ 0.0005068400000000, -0.0062916400000000, 0.0007495600000000 ] - [ -0.0017634400000000, -0.0078447700000000, 0.0022081400000000 ] - [ 0.0000955300000000, -0.0061385000000000, 0.0000266600000000 ] - [ 0.0033835500000000, 0.0030221800000000, 0.0007151900000000 ] - [ 0.0007715000000000, 0.0069426000000000, 0.0009633000000000 ] - [ 0.0009983900000000, 0.0069106200000000, 0.0009836500000000 ] - [ 0.0001856800000000, 0.0068946400000000, 0.0002694900000000 ] - [ -0.0104203300000000, 0.0112544000000000, -0.0120877000000000 ] - [ -0.0005939900000000, -0.0010364500000000, -0.0037285400000000 ] - [ -0.0003032500000000, 0.0005211700000000, -0.0053576800000000 ] - [ 0.0001323100000000, -0.0001292800000000, -0.0070935200000000 ] - [ 0.0043221200000000, 0.0079278200000000, 0.0065277500000000 ] - [ -0.0004866800000000, -0.0005490900000000, 0.0069835300000000 ] - [ 0.0005417500000000, 0.0006057900000000, 0.0065570900000000 ] - [ -0.0001515800000000, -0.0002786000000000, 0.0065982500000000 ] - [ -0.0104203300000000, 0.0112544000000000, 0.0120877000000000 ] - [ -0.0005939900000000, -0.0010364500000000, 0.0037285400000000 ] - [ -0.0003032500000000, 0.0005211700000000, 0.0053576800000000 ] - [ 0.0001323100000000, -0.0001292800000000, 0.0070935200000000 ] - [ 0.0043221200000000, 0.0079278200000000, -0.0065277500000000 ] - [ -0.0004866800000000, -0.0005490900000000, -0.0069835300000000 ] - [ 0.0005417500000000, 0.0006057900000000, -0.0065570900000000 ] - [ -0.0001515800000000, -0.0002786000000000, -0.0065982500000000 ] - [ 0.0735132700000000, 0.0123061400000000, 0.0000000000000000 ] - [ -0.0045960500000000, -0.0002795100000000, 0.0000000000000000 ] - [ -0.0002707500000000, -0.0007240100000000, 0.0000000000000000 ] - [ -0.0037023000000000, -0.0001327000000000, 0.0000000000000000 ] - [ -0.0001793600000000, 0.0007891700000000, 0.0000000000000000 ] - [ 0.0025000400000000, -0.0043917700000000, 0.0000000000000000 ] - [ 0.0017354700000000, 0.0005457100000000, 0.0000000000000000 ] - [ 0.0030820700000000, 0.0002571800000000, 0.0000000000000000 ] - [ -0.0166853600000000, -0.0063440700000000, 0.0000000000000000 ] - [ -0.0168504000000000, 0.0047756300000000, 0.0000000000000000 ] - [ -0.0032666200000000, 0.0001380800000000, 0.0000000000000000 ] - [ -0.0032611600000000, 0.0001924700000000, 0.0000000000000000 ] - [ 0.0051804300000000, 0.0026077600000000, 0.0000000000000000 ] - [ 0.0016684600000000, -0.0003059100000000, 0.0000000000000000 ] - [ 0.0030732500000000, -0.0000282800000000, 0.0000000000000000 ] - [ 0.0022723600000000, -0.0004684800000000, 0.0000000000000000 ] - [ -0.0073371700000000, -0.0057520300000000, 0.0009204400000000 ] - [ -0.0075095500000000, -0.0067817700000000, -0.0003637600000000 ] - [ -0.0073371700000000, -0.0057520300000000, -0.0009204400000000 ] - [ -0.0075095500000000, -0.0067817700000000, 0.0003637600000000 ] - [ 0.0053050800000000, 0.0013920300000000, 0.0064312600000000 ] - [ 0.0054486700000000, 0.0063389200000000, -0.0008929500000000 ] - [ 0.0053050800000000, 0.0013920300000000, -0.0064312600000000 ] - [ 0.0054486700000000, 0.0063389200000000, 0.0008929500000000 ] - [ -0.0063105800000000, 0.0071778600000000, -0.0004779600000000 ] - [ -0.0086293500000000, 0.0064677300000000, 0.0002698500000000 ] - [ -0.0063105800000000, 0.0071778600000000, 0.0004779600000000 ] - [ -0.0086293500000000, 0.0064677300000000, -0.0002698500000000 ] - [ 0.0058891500000000, -0.0065872000000000, 0.0002712500000000 ] - [ 0.0117792000000000, -0.0087818000000000, -0.0089910100000000 ] - [ 0.0058891500000000, -0.0065872000000000, -0.0002712500000000 ] - [ 0.0117792000000000, -0.0087818000000000, 0.0089910100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0044514700000000, 0.0007248100000000, -0.0016773000000000 ] - [ 0.0037585600000000, 0.0001663200000000, 0.0000537700000000 ] - [ 0.0044514700000000, 0.0007248100000000, 0.0016773000000000 ] - [ 0.0037585600000000, 0.0001663200000000, -0.0000537700000000 ] - [ -0.0038457500000000, -0.0000440000000000, -0.0002697100000000 ] - [ -0.0037187500000000, -0.0003884500000000, -0.0002394100000000 ] - [ -0.0038457500000000, -0.0000440000000000, 0.0002697100000000 ] - [ -0.0037187500000000, -0.0003884500000000, 0.0002394100000000 ] - [ 0.0036170900000000, 0.0003340300000000, 0.0010414500000000 ] - [ 0.0039704000000000, 0.0001281300000000, -0.0000143600000000 ] - [ 0.0036170900000000, 0.0003340300000000, -0.0010414500000000 ] - [ 0.0039704000000000, 0.0001281300000000, 0.0000143600000000 ] - [ -0.0036700200000000, -0.0001443400000000, 0.0000522500000000 ] - [ -0.0015577700000000, -0.0030098900000000, 0.0053533300000000 ] - [ -0.0036700200000000, -0.0001443400000000, -0.0000522500000000 ] - [ -0.0015577700000000, -0.0030098900000000, -0.0053533300000000 ] - [ -0.0009591500000000, -0.0087435100000000, 0.0000000000000000 ] - [ -0.0014872800000000, -0.0082079500000000, 0.0000000000000000 ] - [ -0.0010014700000000, -0.0086391500000000, 0.0000000000000000 ] - [ -0.0009046900000000, -0.0084655300000000, 0.0000000000000000 ] - [ 0.0057366300000000, 0.0031360100000000, 0.0000000000000000 ] - [ 0.0009566600000000, 0.0085671400000000, 0.0000000000000000 ] - [ 0.0006874800000000, 0.0082586100000000, 0.0000000000000000 ] - [ 0.0009934800000000, 0.0085602600000000, 0.0000000000000000 ] - [ 0.0069775700000000, 0.0347992400000000, 0.0000000000000000 ] - [ -0.0009485200000000, 0.0085298400000000, 0.0000000000000000 ] - [ -0.0018766100000000, 0.0094953400000000, 0.0000000000000000 ] - [ -0.0009541400000000, 0.0086183900000000, 0.0000000000000000 ] - [ 0.0009649800000000, -0.0087942100000000, 0.0000000000000000 ] - [ 0.0004387200000000, -0.0099084300000000, 0.0000000000000000 ] - [ 0.0010701200000000, -0.0086652100000000, 0.0000000000000000 ] - [ 0.0011393200000000, -0.0088655500000000, 0.0000000000000000 ] - [ 0.0067016800000000, 0.0001843500000000, 0.0078944200000000 ] - [ -0.0003870700000000, -0.0065232400000000, -0.0006247200000000 ] - [ -0.0006973600000000, -0.0069164400000000, -0.0006708000000000 ] - [ -0.0004199200000000, -0.0067449100000000, -0.0003323300000000 ] - [ 0.0004174900000000, 0.0072348500000000, -0.0002871500000000 ] - [ -0.0006588600000000, 0.0061355500000000, 0.0006691100000000 ] - [ 0.0006084600000000, 0.0069228900000000, -0.0006063300000000 ] - [ 0.0005612600000000, 0.0065614200000000, -0.0004311100000000 ] - [ -0.0009583500000000, 0.0072146900000000, 0.0009347300000000 ] - [ -0.0023993500000000, 0.0100983500000000, -0.0000896700000000 ] - [ -0.0002037900000000, 0.0070042300000000, 0.0004858600000000 ] - [ -0.0007258200000000, 0.0071793300000000, 0.0004808000000000 ] - [ 0.0004993500000000, -0.0087067800000000, 0.0004828900000000 ] - [ 0.0006759500000000, -0.0070305700000000, 0.0003739300000000 ] - [ 0.0004600100000000, -0.0071220200000000, 0.0004586800000000 ] - [ 0.0006510500000000, -0.0069324800000000, 0.0004227700000000 ] - [ -0.0009583500000000, 0.0072146900000000, -0.0009347300000000 ] - [ -0.0023993500000000, 0.0100983500000000, 0.0000896700000000 ] - [ -0.0002037900000000, 0.0070042300000000, -0.0004858600000000 ] - [ -0.0007258200000000, 0.0071793300000000, -0.0004808000000000 ] - [ 0.0004993500000000, -0.0087067800000000, -0.0004828900000000 ] - [ 0.0006759500000000, -0.0070305700000000, -0.0003739300000000 ] - [ 0.0004600100000000, -0.0071220200000000, -0.0004586800000000 ] - [ 0.0006510500000000, -0.0069324800000000, -0.0004227700000000 ] - [ 0.0067016800000000, 0.0001843500000000, -0.0078944200000000 ] - [ -0.0003870700000000, -0.0065232400000000, 0.0006247200000000 ] - [ -0.0006973600000000, -0.0069164400000000, 0.0006708000000000 ] - [ -0.0004199200000000, -0.0067449100000000, 0.0003323300000000 ] - [ 0.0004174900000000, 0.0072348500000000, 0.0002871500000000 ] - [ -0.0006588600000000, 0.0061355500000000, -0.0006691100000000 ] - [ 0.0006084600000000, 0.0069228900000000, 0.0006063300000000 ] - [ 0.0005612600000000, 0.0065614200000000, 0.0004311100000000 ] - [ -0.0059762000000000, -0.0000033500000000, -0.0143455200000000 ] - [ 0.0001548100000000, -0.0000164000000000, -0.0070616200000000 ] - [ 0.0000137200000000, 0.0001211800000000, -0.0059791000000000 ] - [ 0.0001124600000000, 0.0001049100000000, -0.0064713100000000 ] - [ -0.0039637600000000, 0.0122231900000000, -0.0092996100000000 ] - [ 0.0000356200000000, 0.0001003600000000, 0.0066696700000000 ] - [ 0.0004063400000000, -0.0002701800000000, 0.0085075100000000 ] - [ -0.0000594800000000, -0.0001063500000000, 0.0067580300000000 ] - [ -0.0059762000000000, -0.0000033500000000, 0.0143455200000000 ] - [ 0.0001548100000000, -0.0000164000000000, 0.0070616200000000 ] - [ 0.0000137200000000, 0.0001211800000000, 0.0059791000000000 ] - [ 0.0001124600000000, 0.0001049100000000, 0.0064713100000000 ] - [ -0.0039637600000000, 0.0122231900000000, 0.0092996100000000 ] - [ 0.0000356200000000, 0.0001003600000000, -0.0066696700000000 ] - [ 0.0004063400000000, -0.0002701800000000, -0.0085075100000000 ] - [ -0.0000594800000000, -0.0001063500000000, -0.0067580300000000 ] - [ -0.0152876100000000, -0.0673333100000000, 0.0000000000000000 ] - [ -0.0026929800000000, -0.0005620100000000, 0.0000000000000000 ] - [ -0.0022437400000000, -0.0009358200000000, 0.0000000000000000 ] - [ -0.0028379500000000, -0.0003597100000000, 0.0000000000000000 ] - [ 0.0021762300000000, 0.0006980500000000, 0.0000000000000000 ] - [ 0.0072916700000000, 0.0102344900000000, 0.0000000000000000 ] - [ 0.0024229000000000, 0.0004874600000000, 0.0000000000000000 ] - [ 0.0027114200000000, 0.0007673800000000, 0.0000000000000000 ] - [ 0.0017444300000000, -0.0001973100000000, 0.0000000000000000 ] - [ -0.0093629400000000, -0.0001922300000000, 0.0000000000000000 ] - [ -0.0027829000000000, 0.0003999700000000, 0.0000000000000000 ] - [ -0.0028380700000000, 0.0003968700000000, 0.0000000000000000 ] - [ 0.0056037600000000, 0.0069894400000000, 0.0000000000000000 ] - [ 0.0026602900000000, -0.0001090400000000, 0.0000000000000000 ] - [ 0.0029493200000000, -0.0001482600000000, 0.0000000000000000 ] - [ 0.0024994700000000, -0.0004130300000000, 0.0000000000000000 ] - [ -0.0075520800000000, -0.0063698600000000, -0.0000217400000000 ] - [ -0.0088263800000000, -0.0054286600000000, 0.0003541400000000 ] - [ -0.0075520800000000, -0.0063698600000000, 0.0000217400000000 ] - [ -0.0088263800000000, -0.0054286600000000, -0.0003541400000000 ] - [ 0.0092368200000000, 0.0049862600000000, -0.0001382100000000 ] - [ 0.0069173100000000, 0.0062472200000000, -0.0001694800000000 ] - [ 0.0092368200000000, 0.0049862600000000, 0.0001382100000000 ] - [ 0.0069173100000000, 0.0062472200000000, 0.0001694800000000 ] - [ -0.0066393400000000, 0.0089400300000000, 0.0003394900000000 ] - [ -0.0077120900000000, 0.0068531400000000, -0.0000021600000000 ] - [ -0.0066393400000000, 0.0089400300000000, -0.0003394900000000 ] - [ -0.0077120900000000, 0.0068531400000000, 0.0000021600000000 ] - [ 0.0070713300000000, -0.0070779400000000, -0.0001141000000000 ] - [ 0.0082277600000000, -0.0113284800000000, -0.0022268700000000 ] - [ 0.0070713300000000, -0.0070779400000000, 0.0001141000000000 ] - [ 0.0082277600000000, -0.0113284800000000, 0.0022268700000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029800700000000, -0.0008514300000000, 0.0016989600000000 ] - [ 0.0036748000000000, -0.0002675200000000, -0.0000532500000000 ] - [ 0.0029800700000000, -0.0008514300000000, -0.0016989600000000 ] - [ 0.0036748000000000, -0.0002675200000000, 0.0000532500000000 ] - [ -0.0035897900000000, 0.0001446900000000, 0.0002707300000000 ] - [ -0.0037164100000000, 0.0004819600000000, 0.0002398500000000 ] - [ -0.0035897900000000, 0.0001446900000000, -0.0002707300000000 ] - [ -0.0037164100000000, 0.0004819600000000, -0.0002398500000000 ] - [ 0.0038120500000000, -0.0002228000000000, -0.0010333800000000 ] - [ 0.0034651900000000, -0.0000287500000000, 0.0000144300000000 ] - [ 0.0038120500000000, -0.0002228000000000, 0.0010333800000000 ] - [ 0.0034651900000000, -0.0000287500000000, -0.0000144300000000 ] - [ -0.0037657600000000, 0.0000453100000000, -0.0000528300000000 ] - [ -0.0058659300000000, 0.0028721700000000, -0.0053203200000000 ] - [ -0.0037657600000000, 0.0000453100000000, 0.0000528300000000 ] - [ -0.0058659300000000, 0.0028721700000000, 0.0053203200000000 ] - [ -0.0010214500000000, -0.0084201600000000, 0.0000000000000000 ] - [ -0.0004883200000000, -0.0089604600000000, 0.0000000000000000 ] - [ -0.0009846000000000, -0.0085272100000000, 0.0000000000000000 ] - [ -0.0010782500000000, -0.0086957700000000, 0.0000000000000000 ] - [ -0.0037794500000000, 0.0140302900000000, 0.0000000000000000 ] - [ 0.0010259300000000, 0.0085886700000000, 0.0000000000000000 ] - [ 0.0012984100000000, 0.0089027300000000, 0.0000000000000000 ] - [ 0.0009891900000000, 0.0085967800000000, 0.0000000000000000 ] - [ -0.0086759700000000, -0.0155947600000000, 0.0000000000000000 ] - [ -0.0010353500000000, 0.0086310200000000, 0.0000000000000000 ] - [ -0.0001158800000000, 0.0076758300000000, 0.0000000000000000 ] - [ -0.0010302800000000, 0.0085425600000000, 0.0000000000000000 ] - [ 0.0010204000000000, -0.0083645100000000, 0.0000000000000000 ] - [ 0.0015437100000000, -0.0072523700000000, 0.0000000000000000 ] - [ 0.0009135800000000, -0.0084946400000000, 0.0000000000000000 ] - [ 0.0008485100000000, -0.0082967600000000, 0.0000000000000000 ] - [ -0.0077348700000000, -0.0140676900000000, -0.0088702900000000 ] - [ -0.0006145800000000, -0.0072968400000000, -0.0003343900000000 ] - [ -0.0003048500000000, -0.0069044700000000, -0.0003006900000000 ] - [ -0.0005829600000000, -0.0070745400000000, -0.0006271400000000 ] - [ 0.0005953300000000, 0.0065445200000000, -0.0006814600000000 ] - [ 0.0016830800000000, 0.0076856200000000, -0.0016439600000000 ] - [ 0.0003952200000000, 0.0068903000000000, -0.0003533800000000 ] - [ 0.0004464100000000, 0.0072517300000000, -0.0005258200000000 ] - [ -0.0000454200000000, 0.0066003200000000, 0.0000255800000000 ] - [ 0.0012585300000000, 0.0037776400000000, 0.0009572100000000 ] - [ -0.0007945400000000, 0.0068127200000000, 0.0004729800000000 ] - [ -0.0002770700000000, 0.0066513800000000, 0.0004848500000000 ] - [ 0.0004991800000000, -0.0051167300000000, 0.0004826200000000 ] - [ 0.0003299100000000, -0.0067858100000000, 0.0005860900000000 ] - [ 0.0005421000000000, -0.0066920300000000, 0.0004959200000000 ] - [ 0.0003545900000000, -0.0068844300000000, 0.0005360000000000 ] - [ -0.0000454200000000, 0.0066003200000000, -0.0000255800000000 ] - [ 0.0012585300000000, 0.0037776400000000, -0.0009572100000000 ] - [ -0.0007945400000000, 0.0068127200000000, -0.0004729800000000 ] - [ -0.0002770700000000, 0.0066513800000000, -0.0004848500000000 ] - [ 0.0004991800000000, -0.0051167300000000, -0.0004826200000000 ] - [ 0.0003299100000000, -0.0067858100000000, -0.0005860900000000 ] - [ 0.0005421000000000, -0.0066920300000000, -0.0004959200000000 ] - [ 0.0003545900000000, -0.0068844300000000, -0.0005360000000000 ] - [ -0.0077348700000000, -0.0140676900000000, 0.0088702900000000 ] - [ -0.0006145800000000, -0.0072968400000000, 0.0003343900000000 ] - [ -0.0003048500000000, -0.0069044700000000, 0.0003006900000000 ] - [ -0.0005829600000000, -0.0070745400000000, 0.0006271400000000 ] - [ 0.0005953300000000, 0.0065445200000000, 0.0006814600000000 ] - [ 0.0016830800000000, 0.0076856200000000, 0.0016439600000000 ] - [ 0.0003952200000000, 0.0068903000000000, 0.0003533800000000 ] - [ 0.0004464100000000, 0.0072517300000000, 0.0005258200000000 ] - [ 0.0060020900000000, 0.0001191500000000, 0.0011818100000000 ] - [ -0.0001590300000000, 0.0000235400000000, -0.0061941300000000 ] - [ -0.0000188800000000, -0.0001179800000000, -0.0072751600000000 ] - [ -0.0001126200000000, -0.0001005900000000, -0.0067818000000000 ] - [ 0.0039539500000000, -0.0120354600000000, 0.0223923500000000 ] - [ -0.0000370600000000, -0.0001006700000000, 0.0065852200000000 ] - [ -0.0004101100000000, 0.0002643200000000, 0.0047616100000000 ] - [ 0.0000568200000000, 0.0001023700000000, 0.0064969600000000 ] - [ 0.0060020900000000, 0.0001191500000000, -0.0011818100000000 ] - [ -0.0001590300000000, 0.0000235400000000, 0.0061941300000000 ] - [ -0.0000188800000000, -0.0001179800000000, 0.0072751600000000 ] - [ -0.0001126200000000, -0.0001005900000000, 0.0067818000000000 ] - [ 0.0039539500000000, -0.0120354600000000, -0.0223923500000000 ] - [ -0.0000370600000000, -0.0001006700000000, -0.0065852200000000 ] - [ -0.0004101100000000, 0.0002643200000000, -0.0047616100000000 ] - [ 0.0000568200000000, 0.0001023700000000, -0.0064969600000000 ] - [ 0.0101849100000000, 0.0644937600000000, 0.0000000000000000 ] - [ -0.0024972000000000, -0.0001926700000000, 0.0000000000000000 ] - [ -0.0029419200000000, 0.0001735600000000, 0.0000000000000000 ] - [ -0.0023498100000000, -0.0003939000000000, 0.0000000000000000 ] - [ 0.0030099300000000, 0.0000512500000000, 0.0000000000000000 ] - [ -0.0022215600000000, -0.0096314200000000, 0.0000000000000000 ] - [ 0.0027646800000000, 0.0002634400000000, 0.0000000000000000 ] - [ 0.0024737300000000, -0.0000070000000000, 0.0000000000000000 ] - [ -0.0069549400000000, 0.0009193400000000, 0.0000000000000000 ] - [ 0.0041579200000000, 0.0009243600000000, 0.0000000000000000 ] - [ -0.0024126100000000, 0.0003587400000000, 0.0000000000000000 ] - [ -0.0023513900000000, 0.0003555400000000, 0.0000000000000000 ] - [ -0.0003920500000000, -0.0077780800000000, 0.0000000000000000 ] - [ 0.0025180000000000, -0.0006455600000000, 0.0000000000000000 ] - [ 0.0022453900000000, -0.0006069200000000, 0.0000000000000000 ] - [ 0.0026834700000000, -0.0003403100000000, 0.0000000000000000 ] - [ -0.0075151600000000, -0.0068918200000000, 0.0000223200000000 ] - [ -0.0062685700000000, -0.0078242200000000, -0.0003581600000000 ] - [ -0.0075151600000000, -0.0068918200000000, -0.0000223200000000 ] - [ -0.0062685700000000, -0.0078242200000000, 0.0003581600000000 ] - [ 0.0058344700000000, 0.0082295400000000, 0.0001610900000000 ] - [ 0.0081637700000000, 0.0070096500000000, 0.0001703000000000 ] - [ 0.0058344700000000, 0.0082295400000000, -0.0001610900000000 ] - [ 0.0081637700000000, 0.0070096500000000, -0.0001703000000000 ] - [ -0.0084350500000000, 0.0043271600000000, -0.0003547900000000 ] - [ -0.0073650400000000, 0.0064027300000000, 0.0000033100000000 ] - [ -0.0084350500000000, 0.0043271600000000, 0.0003547900000000 ] - [ -0.0073650400000000, 0.0064027300000000, -0.0000033100000000 ] - [ 0.0080087300000000, -0.0061755000000000, 0.0001147400000000 ] - [ 0.0068840500000000, -0.0019502300000000, 0.0022963600000000 ] - [ 0.0080087300000000, -0.0061755000000000, -0.0001147400000000 ] - [ 0.0068840500000000, -0.0019502300000000, -0.0022963600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0041191600000000, -0.0010497800000000, -0.0002040900000000 ] - [ 0.0018550700000000, -0.0009489800000000, 0.0000912100000000 ] - [ 0.0033216600000000, 0.0009472800000000, -0.0001973900000000 ] - [ 0.0056026400000000, 0.0008589100000000, 0.0000919500000000 ] - [ -0.0029971000000000, 0.0001218700000000, -0.0000336600000000 ] - [ -0.0035754200000000, 0.0002006100000000, 0.0001415500000000 ] - [ -0.0044381900000000, -0.0000154200000000, -0.0000352000000000 ] - [ -0.0038618600000000, -0.0001043700000000, 0.0001496600000000 ] - [ 0.0027065700000000, 0.0015174300000000, -0.0004814700000000 ] - [ 0.0032945500000000, 0.0003090100000000, 0.0000541300000000 ] - [ 0.0047361100000000, -0.0014308200000000, -0.0004891200000000 ] - [ 0.0041400700000000, -0.0002093600000000, 0.0000532800000000 ] - [ -0.0032911000000000, -0.0001830400000000, -0.0000601500000000 ] - [ -0.0031944100000000, -0.0004538300000000, 0.0006401300000000 ] - [ -0.0041454100000000, 0.0000844200000000, -0.0000608400000000 ] - [ -0.0042413600000000, 0.0003654800000000, 0.0006587600000000 ] - [ -0.0009940400000000, -0.0085817600000000, 0.0007277700000000 ] - [ -0.0010072700000000, -0.0085897800000000, 0.0009069300000000 ] - [ -0.0009944600000000, -0.0085820600000000, -0.0007052800000000 ] - [ -0.0009916600000000, -0.0085791300000000, -0.0003334300000000 ] - [ 0.0009974900000000, 0.0085741500000000, 0.0002099800000000 ] - [ 0.0009933200000000, 0.0085830500000000, 0.0009022200000000 ] - [ 0.0009924100000000, 0.0085811700000000, -0.0006692800000000 ] - [ 0.0009935600000000, 0.0085823100000000, -0.0009714400000000 ] - [ -0.0009932300000000, 0.0085365700000000, 0.0049093600000000 ] - [ -0.0009932600000000, 0.0085801600000000, 0.0002212900000000 ] - [ -0.0009920400000000, 0.0085787400000000, -0.0004681700000000 ] - [ -0.0009927500000000, 0.0085808600000000, -0.0003093900000000 ] - [ 0.0009918000000000, -0.0085818300000000, 0.0003814000000000 ] - [ 0.0009958900000000, -0.0085873000000000, 0.0012446500000000 ] - [ 0.0009926100000000, -0.0085804500000000, -0.0002263400000000 ] - [ 0.0009959200000000, -0.0085824000000000, -0.0013626400000000 ] - [ 0.0181200400000000, -0.0021399100000000, 0.0201508800000000 ] - [ -0.0006442400000000, -0.0070361100000000, -0.0001575900000000 ] - [ -0.0002940700000000, -0.0073357400000000, -0.0028469300000000 ] - [ -0.0004558200000000, -0.0069961900000000, -0.0010064500000000 ] - [ -0.0020539300000000, 0.0113185400000000, 0.0003358200000000 ] - [ 0.0005947800000000, 0.0067844700000000, -0.0001545500000000 ] - [ 0.0008205900000000, 0.0068369800000000, -0.0009740000000000 ] - [ 0.0005524800000000, 0.0067825600000000, -0.0006763200000000 ] - [ -0.0012494100000000, 0.0074160900000000, 0.0013650000000000 ] - [ -0.0023610000000000, 0.0070349300000000, 0.0007379800000000 ] - [ -0.0006986900000000, 0.0069489200000000, -0.0001419900000000 ] - [ 0.0003095100000000, 0.0051710900000000, -0.0019992500000000 ] - [ 0.0016065900000000, -0.0058051800000000, 0.0014877700000000 ] - [ 0.0004588400000000, -0.0067955700000000, 0.0006974000000000 ] - [ -0.0000713000000000, -0.0069821100000000, -0.0001048700000000 ] - [ 0.0004286000000000, -0.0069085900000000, 0.0004488200000000 ] - [ 0.0002415100000000, 0.0064030100000000, 0.0004012700000000 ] - [ 0.0012869100000000, 0.0068671700000000, -0.0001453300000000 ] - [ -0.0003041200000000, 0.0068695800000000, -0.0011027200000000 ] - [ -0.0013111800000000, 0.0086396200000000, -0.0029525100000000 ] - [ -0.0006021300000000, -0.0080139900000000, 0.0005325000000000 ] - [ 0.0005427100000000, -0.0070203200000000, -0.0002635200000000 ] - [ 0.0010729900000000, -0.0068360300000000, -0.0010634700000000 ] - [ 0.0005748400000000, -0.0069083500000000, -0.0005121600000000 ] - [ -0.0181391300000000, -0.0115987300000000, 0.0204443500000000 ] - [ -0.0003586300000000, -0.0067802700000000, 0.0008030600000000 ] - [ -0.0007136700000000, -0.0064850200000000, -0.0018922300000000 ] - [ -0.0005466600000000, -0.0068222700000000, -0.0000443500000000 ] - [ 0.0030474300000000, 0.0025147600000000, 0.0013004200000000 ] - [ 0.0004025200000000, 0.0070338500000000, 0.0007993600000000 ] - [ 0.0001807200000000, 0.0069807600000000, -0.0000143600000000 ] - [ 0.0004516200000000, 0.0070374900000000, 0.0002857000000000 ] - [ 0.0064874400000000, -0.0105295200000000, -0.0077800900000000 ] - [ -0.0001454100000000, -0.0002678900000000, -0.0077486600000000 ] - [ -0.0004532700000000, 0.0004781500000000, -0.0051644600000000 ] - [ 0.0000423100000000, 0.0004298800000000, -0.0056686900000000 ] - [ -0.0010573200000000, -0.0091930300000000, 0.0059506900000000 ] - [ 0.0000350800000000, 0.0002047700000000, 0.0062880200000000 ] - [ -0.0000272900000000, 0.0006583600000000, 0.0079936300000000 ] - [ 0.0000850400000000, 0.0001580800000000, 0.0070103200000000 ] - [ -0.0064648800000000, 0.0105044200000000, 0.0054761500000000 ] - [ 0.0001449000000000, 0.0002671300000000, 0.0055313900000000 ] - [ 0.0004575000000000, -0.0004805600000000, 0.0080919400000000 ] - [ -0.0000409200000000, -0.0004355400000000, 0.0075923300000000 ] - [ 0.0010507300000000, 0.0091990600000000, -0.0073671100000000 ] - [ -0.0000327500000000, -0.0002041300000000, -0.0069664300000000 ] - [ 0.0000216400000000, -0.0006537200000000, -0.0052633800000000 ] - [ -0.0000850000000000, -0.0001586200000000, -0.0062466600000000 ] - [ -0.0034452200000000, -0.0004815100000000, -0.0782639000000000 ] - [ -0.0025926300000000, -0.0003775600000000, 0.0001776200000000 ] - [ -0.0025955300000000, -0.0003786000000000, 0.0022261500000000 ] - [ -0.0025929000000000, -0.0003774000000000, 0.0006166400000000 ] - [ 0.0025984500000000, 0.0003762400000000, -0.0021454000000000 ] - [ 0.0026027000000000, 0.0004020200000000, -0.0015728900000000 ] - [ 0.0025954600000000, 0.0003765700000000, 0.0002621900000000 ] - [ 0.0025916000000000, 0.0003795500000000, 0.0004401900000000 ] - [ -0.0025993400000000, 0.0003762700000000, -0.0048801700000000 ] - [ -0.0025712900000000, 0.0003621200000000, -0.0048798100000000 ] - [ -0.0025924400000000, 0.0003801000000000, 0.0016525500000000 ] - [ -0.0025986500000000, 0.0003751200000000, 0.0016525300000000 ] - [ 0.0025872300000000, -0.0003814100000000, -0.0022077500000000 ] - [ 0.0025953200000000, -0.0003773700000000, -0.0004120700000000 ] - [ 0.0025947900000000, -0.0003783000000000, 0.0007651800000000 ] - [ 0.0025921700000000, -0.0003774800000000, -0.0000578500000000 ] - [ -0.0077223100000000, -0.0062728300000000, 0.0005979500000000 ] - [ -0.0072752300000000, -0.0067288700000000, -0.0001260300000000 ] - [ -0.0073536400000000, -0.0069908500000000, 0.0006004300000000 ] - [ -0.0078027900000000, -0.0065241900000000, -0.0001283900000000 ] - [ 0.0035975300000000, 0.0026670900000000, 0.0057356900000000 ] - [ 0.0087088100000000, 0.0066358700000000, 0.0002859100000000 ] - [ 0.0115245800000000, 0.0106075500000000, 0.0057638100000000 ] - [ 0.0063680700000000, 0.0066236900000000, 0.0002846600000000 ] - [ -0.0071359700000000, 0.0076586600000000, 0.0002740900000000 ] - [ -0.0079077300000000, 0.0066037100000000, -0.0001410800000000 ] - [ -0.0079476400000000, 0.0055907800000000, 0.0002714400000000 ] - [ -0.0071651700000000, 0.0066538300000000, -0.0001397000000000 ] - [ 0.0069719500000000, -0.0068456900000000, 0.0000455000000000 ] - [ 0.0148805200000000, -0.0059803200000000, 0.0163553000000000 ] - [ 0.0081082500000000, -0.0064103400000000, 0.0000466900000000 ] - [ 0.0000493600000000, -0.0072804200000000, 0.0166574100000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0047477800000000, -0.0010768100000000, 0.0000000000000000 ] - [ 0.0030725400000000, -0.0000770300000000, 0.0000000000000000 ] - [ 0.0039642900000000, 0.0000500200000000, 0.0000000000000000 ] - [ 0.0034996900000000, -0.0000589000000000, 0.0000000000000000 ] - [ -0.0011373400000000, 0.0038467500000000, 0.0000000000000000 ] - [ -0.0056780300000000, -0.0007251600000000, 0.0000000000000000 ] - [ -0.0038325600000000, -0.0003595000000000, 0.0000000000000000 ] - [ -0.0038584200000000, 0.0001371500000000, 0.0000000000000000 ] - [ 0.0033327300000000, -0.0008584700000000, 0.0000000000000000 ] - [ 0.0032203000000000, 0.0003335700000000, 0.0000000000000000 ] - [ 0.0039217100000000, -0.0000317400000000, 0.0000000000000000 ] - [ 0.0034177900000000, 0.0003937100000000, 0.0000000000000000 ] - [ 0.0165696400000000, -0.0060106300000000, 0.0000000000000000 ] - [ -0.0043494700000000, -0.0010218900000000, 0.0000000000000000 ] - [ -0.0026810500000000, -0.0008514000000000, 0.0000000000000000 ] - [ -0.0039673600000000, -0.0001737500000000, 0.0000000000000000 ] - [ 0.0006185500000000, -0.0077277400000000, 0.0024983600000000 ] - [ -0.0013866200000000, -0.0087011400000000, -0.0004030200000000 ] - [ 0.0006185500000000, -0.0077277400000000, -0.0024983600000000 ] - [ -0.0013866200000000, -0.0087011400000000, 0.0004030200000000 ] - [ 0.0016483900000000, 0.0088538200000000, 0.0002633900000000 ] - [ 0.0007681400000000, 0.0083713900000000, -0.0000270100000000 ] - [ 0.0016483900000000, 0.0088538200000000, -0.0002633900000000 ] - [ 0.0007681400000000, 0.0083713900000000, 0.0000270100000000 ] - [ -0.0010119300000000, 0.0085803300000000, 0.0001488500000000 ] - [ -0.0022955200000000, 0.0099530800000000, -0.0041281200000000 ] - [ -0.0010119300000000, 0.0085803300000000, -0.0001488500000000 ] - [ -0.0022955200000000, 0.0099530800000000, 0.0041281200000000 ] - [ 0.0007361600000000, -0.0082095400000000, -0.0008900700000000 ] - [ 0.0006736600000000, -0.0089066000000000, 0.0003548500000000 ] - [ 0.0007361600000000, -0.0082095400000000, 0.0008900700000000 ] - [ 0.0006736600000000, -0.0089066000000000, -0.0003548500000000 ] - [ -0.0003120100000000, -0.0069574300000000, -0.0003916400000000 ] - [ -0.0008108200000000, -0.0066289800000000, -0.0005741300000000 ] - [ 0.0008149800000000, -0.0098489500000000, -0.0018034000000000 ] - [ -0.0007429000000000, -0.0066122100000000, -0.0003791300000000 ] - [ 0.0016443300000000, 0.0072080600000000, -0.0013127700000000 ] - [ -0.0004557600000000, 0.0066707400000000, -0.0000284300000000 ] - [ 0.0132841100000000, 0.0175418400000000, -0.0134039200000000 ] - [ -0.0003504200000000, 0.0069206700000000, -0.0005892400000000 ] - [ -0.0001620200000000, 0.0073000400000000, -0.0001915800000000 ] - [ -0.0016484200000000, 0.0056089400000000, 0.0007372400000000 ] - [ -0.0001495400000000, 0.0071137100000000, 0.0006014900000000 ] - [ -0.0008431100000000, 0.0068269100000000, 0.0004469000000000 ] - [ -0.0030209700000000, -0.0082318600000000, 0.0040702000000000 ] - [ -0.0005425400000000, -0.0059824300000000, -0.0010081500000000 ] - [ 0.0000124000000000, -0.0071234500000000, -0.0003325500000000 ] - [ 0.0003345900000000, -0.0066822300000000, 0.0007420600000000 ] - [ -0.0001495400000000, 0.0071137100000000, -0.0006014900000000 ] - [ -0.0008431100000000, 0.0068269100000000, -0.0004469000000000 ] - [ -0.0001620200000000, 0.0073000400000000, 0.0001915800000000 ] - [ -0.0016484200000000, 0.0056089400000000, -0.0007372400000000 ] - [ 0.0000124000000000, -0.0071234500000000, 0.0003325500000000 ] - [ 0.0003345900000000, -0.0066822300000000, -0.0007420600000000 ] - [ -0.0030209700000000, -0.0082318600000000, -0.0040702000000000 ] - [ -0.0005425400000000, -0.0059824300000000, 0.0010081500000000 ] - [ 0.0008149800000000, -0.0098489500000000, 0.0018034000000000 ] - [ -0.0007429000000000, -0.0066122100000000, 0.0003791300000000 ] - [ -0.0003120100000000, -0.0069574300000000, 0.0003916400000000 ] - [ -0.0008108200000000, -0.0066289800000000, 0.0005741300000000 ] - [ 0.0132841100000000, 0.0175418400000000, 0.0134039200000000 ] - [ -0.0003504200000000, 0.0069206700000000, 0.0005892400000000 ] - [ 0.0016443300000000, 0.0072080600000000, 0.0013127700000000 ] - [ -0.0004557600000000, 0.0066707400000000, 0.0000284300000000 ] - [ -0.0001055200000000, 0.0004934700000000, -0.0071171200000000 ] - [ 0.0001899500000000, -0.0003259100000000, -0.0065465900000000 ] - [ -0.0072175400000000, 0.0019020500000000, 0.0012477300000000 ] - [ 0.0000673100000000, 0.0000982000000000, -0.0071464700000000 ] - [ 0.0018732800000000, 0.0036470100000000, 0.0062311800000000 ] - [ 0.0044383200000000, -0.0033835500000000, 0.0180760300000000 ] - [ 0.0001416600000000, 0.0005053500000000, 0.0071131200000000 ] - [ -0.0005037500000000, 0.0000773800000000, 0.0049745500000000 ] - [ -0.0072175400000000, 0.0019020500000000, -0.0012477300000000 ] - [ 0.0000673100000000, 0.0000982000000000, 0.0071464700000000 ] - [ -0.0001055200000000, 0.0004934700000000, 0.0071171200000000 ] - [ 0.0001899500000000, -0.0003259100000000, 0.0065465900000000 ] - [ 0.0001416600000000, 0.0005053500000000, -0.0071131200000000 ] - [ -0.0005037500000000, 0.0000773800000000, -0.0049745500000000 ] - [ 0.0018732800000000, 0.0036470100000000, -0.0062311800000000 ] - [ 0.0044383200000000, -0.0033835500000000, -0.0180760300000000 ] - [ -0.0027903500000000, -0.0003968000000000, -0.0001852400000000 ] - [ -0.0026187400000000, -0.0016611500000000, 0.0002660800000000 ] - [ -0.0027903500000000, -0.0003968000000000, 0.0001852400000000 ] - [ -0.0026187400000000, -0.0016611500000000, -0.0002660800000000 ] - [ 0.0048111300000000, 0.0020938700000000, 0.0039606100000000 ] - [ 0.0046724300000000, -0.0002415100000000, -0.0011636300000000 ] - [ 0.0048111300000000, 0.0020938700000000, -0.0039606100000000 ] - [ 0.0046724300000000, -0.0002415100000000, 0.0011636300000000 ] - [ -0.0038292400000000, -0.0005209000000000, 0.0004056100000000 ] - [ -0.0015054100000000, 0.0005494300000000, -0.0003682100000000 ] - [ -0.0038292400000000, -0.0005209000000000, -0.0004056100000000 ] - [ -0.0015054100000000, 0.0005494300000000, 0.0003682100000000 ] - [ -0.0015621000000000, -0.0010432800000000, -0.0074127300000000 ] - [ 0.0042453900000000, 0.0000943800000000, 0.0005733700000000 ] - [ -0.0015621000000000, -0.0010432800000000, 0.0074127300000000 ] - [ 0.0042453900000000, 0.0000943800000000, -0.0005733700000000 ] - [ -0.0707157200000000, -0.0272044800000000, 0.0000000000000000 ] - [ -0.0058359300000000, -0.0068886600000000, 0.0000000000000000 ] - [ -0.0086663900000000, -0.0066168300000000, 0.0000000000000000 ] - [ -0.0070205300000000, -0.0065279200000000, 0.0000000000000000 ] - [ 0.0056737900000000, 0.0101860800000000, 0.0000000000000000 ] - [ 0.0089426700000000, 0.0063139000000000, 0.0000000000000000 ] - [ 0.0072302200000000, 0.0064267900000000, 0.0000000000000000 ] - [ 0.0081492600000000, 0.0066372000000000, 0.0000000000000000 ] - [ 0.0059569400000000, 0.0017391500000000, 0.0000000000000000 ] - [ 0.0061298300000000, 0.0141691500000000, 0.0000000000000000 ] - [ -0.0073289400000000, 0.0062648000000000, 0.0000000000000000 ] - [ -0.0073319700000000, 0.0070964300000000, 0.0000000000000000 ] - [ 0.0070516400000000, -0.0074716200000000, 0.0000000000000000 ] - [ 0.0082783500000000, -0.0063684200000000, 0.0000000000000000 ] - [ 0.0072452000000000, -0.0071721300000000, 0.0000000000000000 ] - [ 0.0077802500000000, -0.0065493300000000, 0.0000000000000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026836700000000, 0.0009763300000000, 0.0000000000000000 ] - [ 0.0043664000000000, -0.0000180000000000, 0.0000000000000000 ] - [ 0.0034698800000000, -0.0001494500000000, 0.0000000000000000 ] - [ 0.0039350800000000, -0.0000385000000000, 0.0000000000000000 ] - [ -0.0064538600000000, -0.0035249200000000, 0.0000000000000000 ] - [ -0.0017815600000000, 0.0008111800000000, 0.0000000000000000 ] - [ -0.0036026000000000, 0.0004584500000000, 0.0000000000000000 ] - [ -0.0035733700000000, -0.0000389100000000, 0.0000000000000000 ] - [ 0.0041003800000000, 0.0009724000000000, 0.0000000000000000 ] - [ 0.0042057400000000, -0.0002255500000000, 0.0000000000000000 ] - [ 0.0035089000000000, 0.0001347000000000, 0.0000000000000000 ] - [ 0.0040138900000000, -0.0002907800000000, 0.0000000000000000 ] - [ -0.0227252700000000, 0.0053251600000000, 0.0000000000000000 ] - [ -0.0030820900000000, 0.0009256500000000, 0.0000000000000000 ] - [ -0.0047478100000000, 0.0007444100000000, 0.0000000000000000 ] - [ -0.0034652200000000, 0.0000715700000000, 0.0000000000000000 ] - [ -0.0026048000000000, -0.0094300800000000, -0.0024988600000000 ] - [ -0.0005950800000000, -0.0084608900000000, 0.0003991600000000 ] - [ -0.0026048000000000, -0.0094300800000000, 0.0024988600000000 ] - [ -0.0005950800000000, -0.0084608900000000, -0.0003991600000000 ] - [ 0.0003337600000000, 0.0083072900000000, -0.0002639100000000 ] - [ 0.0012166400000000, 0.0087892600000000, 0.0000251600000000 ] - [ 0.0003337600000000, 0.0083072900000000, 0.0002639100000000 ] - [ 0.0012166400000000, 0.0087892600000000, -0.0000251600000000 ] - [ -0.0009748200000000, 0.0085824000000000, -0.0001515900000000 ] - [ 0.0002993800000000, 0.0072067200000000, 0.0041242000000000 ] - [ -0.0009748200000000, 0.0085824000000000, 0.0001515900000000 ] - [ 0.0002993800000000, 0.0072067200000000, -0.0041242000000000 ] - [ 0.0012528100000000, -0.0089559800000000, 0.0008949100000000 ] - [ 0.0013136400000000, -0.0082505000000000, -0.0003580400000000 ] - [ 0.0012528100000000, -0.0089559800000000, -0.0008949100000000 ] - [ 0.0013136400000000, -0.0082505000000000, 0.0003580400000000 ] - [ -0.0006942000000000, -0.0068575700000000, -0.0005685900000000 ] - [ -0.0001937900000000, -0.0071887600000000, -0.0003880200000000 ] - [ -0.0018431900000000, -0.0039453700000000, 0.0008387000000000 ] - [ -0.0002608000000000, -0.0072043100000000, -0.0005801200000000 ] - [ -0.0006456000000000, 0.0066077300000000, 0.0003604100000000 ] - [ 0.0014655400000000, 0.0071468200000000, -0.0009387300000000 ] - [ -0.0122849500000000, -0.0035040000000000, 0.0121602400000000 ] - [ 0.0013571700000000, 0.0068945600000000, -0.0003687800000000 ] - [ -0.0008397300000000, 0.0065187800000000, 0.0011429800000000 ] - [ 0.0006563400000000, 0.0082265400000000, 0.0002211700000000 ] - [ -0.0008545700000000, 0.0067043400000000, 0.0003589000000000 ] - [ -0.0001612900000000, 0.0069902600000000, 0.0005143300000000 ] - [ 0.0040392600000000, -0.0055758000000000, -0.0031388700000000 ] - [ 0.0015411700000000, -0.0078320100000000, 0.0019572400000000 ] - [ 0.0009831200000000, -0.0066926900000000, 0.0012915400000000 ] - [ 0.0006782400000000, -0.0071462100000000, 0.0002164800000000 ] - [ -0.0008545700000000, 0.0067043400000000, -0.0003589000000000 ] - [ -0.0001612900000000, 0.0069902600000000, -0.0005143300000000 ] - [ -0.0008397300000000, 0.0065187800000000, -0.0011429800000000 ] - [ 0.0006563400000000, 0.0082265400000000, -0.0002211700000000 ] - [ 0.0009831200000000, -0.0066926900000000, -0.0012915400000000 ] - [ 0.0006782400000000, -0.0071462100000000, -0.0002164800000000 ] - [ 0.0040392600000000, -0.0055758000000000, 0.0031388700000000 ] - [ 0.0015411700000000, -0.0078320100000000, -0.0019572400000000 ] - [ -0.0018431900000000, -0.0039453700000000, -0.0008387000000000 ] - [ -0.0002608000000000, -0.0072043100000000, 0.0005801200000000 ] - [ -0.0006942000000000, -0.0068575700000000, 0.0005685900000000 ] - [ -0.0001937900000000, -0.0071887600000000, 0.0003880200000000 ] - [ -0.0122849500000000, -0.0035040000000000, -0.0121602400000000 ] - [ 0.0013571700000000, 0.0068945600000000, 0.0003687800000000 ] - [ -0.0006456000000000, 0.0066077300000000, -0.0003604100000000 ] - [ 0.0014655400000000, 0.0071468200000000, 0.0009387300000000 ] - [ 0.0001091300000000, -0.0004977200000000, -0.0061417900000000 ] - [ -0.0001906000000000, 0.0003257200000000, -0.0067057100000000 ] - [ 0.0072751400000000, -0.0019880100000000, -0.0144796300000000 ] - [ -0.0000690700000000, -0.0000934500000000, -0.0061169700000000 ] - [ -0.0019036900000000, -0.0036952400000000, 0.0070322900000000 ] - [ -0.0043441300000000, 0.0033689000000000, -0.0047462000000000 ] - [ -0.0001411700000000, -0.0005045600000000, 0.0061339200000000 ] - [ 0.0005068500000000, -0.0000740800000000, 0.0082734200000000 ] - [ 0.0072751400000000, -0.0019880100000000, 0.0144796300000000 ] - [ -0.0000690700000000, -0.0000934500000000, 0.0061169700000000 ] - [ 0.0001091300000000, -0.0004977200000000, 0.0061417900000000 ] - [ -0.0001906000000000, 0.0003257200000000, 0.0067057100000000 ] - [ -0.0001411700000000, -0.0005045600000000, -0.0061339200000000 ] - [ 0.0005068500000000, -0.0000740800000000, -0.0082734200000000 ] - [ -0.0019036900000000, -0.0036952400000000, -0.0070322900000000 ] - [ -0.0043441300000000, 0.0033689000000000, 0.0047462000000000 ] - [ -0.0023865000000000, -0.0003605200000000, 0.0001833500000000 ] - [ -0.0025693200000000, 0.0008961500000000, -0.0002618600000000 ] - [ -0.0023865000000000, -0.0003605200000000, -0.0001833500000000 ] - [ -0.0025693200000000, 0.0008961500000000, 0.0002618600000000 ] - [ 0.0003320400000000, -0.0013078500000000, -0.0039673200000000 ] - [ 0.0004979100000000, 0.0010051000000000, 0.0011771500000000 ] - [ 0.0003320400000000, -0.0013078500000000, 0.0039673200000000 ] - [ 0.0004979100000000, 0.0010051000000000, -0.0011771500000000 ] - [ -0.0013646300000000, 0.0012746300000000, -0.0004064500000000 ] - [ -0.0036864700000000, 0.0002027900000000, 0.0003745300000000 ] - [ -0.0013646300000000, 0.0012746300000000, 0.0004064500000000 ] - [ -0.0036864700000000, 0.0002027900000000, -0.0003745300000000 ] - [ 0.0068489800000000, 0.0003011700000000, 0.0074167700000000 ] - [ 0.0009424500000000, -0.0008425000000000, -0.0005630900000000 ] - [ 0.0068489800000000, 0.0003011700000000, -0.0074167700000000 ] - [ 0.0009424500000000, -0.0008425000000000, 0.0005630900000000 ] - [ 0.0542363700000000, 0.0137101000000000, 0.0000000000000000 ] - [ -0.0092429900000000, -0.0063668300000000, 0.0000000000000000 ] - [ -0.0064107200000000, -0.0066338200000000, 0.0000000000000000 ] - [ -0.0080610700000000, -0.0067291300000000, 0.0000000000000000 ] - [ 0.0094281100000000, 0.0031001500000000, 0.0000000000000000 ] - [ 0.0061379000000000, 0.0069375100000000, 0.0000000000000000 ] - [ 0.0078477500000000, 0.0068287600000000, 0.0000000000000000 ] - [ 0.0069290000000000, 0.0066180800000000, 0.0000000000000000 ] - [ -0.0212105900000000, 0.0116509700000000, 0.0000000000000000 ] - [ -0.0210384500000000, -0.0007979600000000, 0.0000000000000000 ] - [ -0.0077465400000000, 0.0069932100000000, 0.0000000000000000 ] - [ -0.0077501200000000, 0.0061675100000000, 0.0000000000000000 ] - [ 0.0080176000000000, -0.0057955400000000, 0.0000000000000000 ] - [ 0.0068030600000000, -0.0069020200000000, 0.0000000000000000 ] - [ 0.0078297800000000, -0.0060867800000000, 0.0000000000000000 ] - [ 0.0072963800000000, -0.0067101100000000, 0.0000000000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0047023500000000, -0.0021098200000000, 0.0000000000000000 ] - [ 0.0038055700000000, -0.0002778400000000, 0.0000000000000000 ] - [ 0.0033939800000000, -0.0004985400000000, 0.0000000000000000 ] - [ 0.0036659300000000, -0.0002002700000000, 0.0000000000000000 ] - [ -0.0063290200000000, 0.0086312600000000, 0.0000000000000000 ] - [ -0.0041353000000000, -0.0002323200000000, 0.0000000000000000 ] - [ -0.0028905000000000, 0.0007638400000000, 0.0000000000000000 ] - [ -0.0038425100000000, 0.0000956700000000, 0.0000000000000000 ] - [ 0.0018534500000000, -0.0009324500000000, 0.0000000000000000 ] - [ 0.0036081100000000, -0.0001590600000000, 0.0000000000000000 ] - [ 0.0039486400000000, -0.0001380800000000, 0.0000000000000000 ] - [ 0.0036996600000000, -0.0000888500000000, 0.0000000000000000 ] - [ -0.0039581300000000, 0.0006953300000000, 0.0000000000000000 ] - [ -0.0035475200000000, 0.0008018100000000, 0.0000000000000000 ] - [ -0.0043123000000000, 0.0007447200000000, 0.0000000000000000 ] - [ -0.0037126900000000, 0.0000020300000000, 0.0000000000000000 ] - [ -0.0022174400000000, -0.0107733300000000, -0.0031729500000000 ] - [ -0.0010480500000000, -0.0086993900000000, -0.0001147200000000 ] - [ -0.0022174400000000, -0.0107733300000000, 0.0031729500000000 ] - [ -0.0010480500000000, -0.0086993900000000, 0.0001147200000000 ] - [ 0.0012748300000000, 0.0088280900000000, -0.0009956100000000 ] - [ 0.0008606200000000, 0.0085538800000000, -0.0000043800000000 ] - [ 0.0012748300000000, 0.0088280900000000, 0.0009956100000000 ] - [ 0.0008606200000000, 0.0085538800000000, 0.0000043800000000 ] - [ -0.0008944400000000, 0.0085197600000000, -0.0000829100000000 ] - [ -0.0002728100000000, 0.0069106800000000, 0.0028571900000000 ] - [ -0.0008944400000000, 0.0085197600000000, 0.0000829100000000 ] - [ -0.0002728100000000, 0.0069106800000000, -0.0028571900000000 ] - [ 0.0009594300000000, -0.0079519500000000, 0.0004924100000000 ] - [ 0.0008223000000000, -0.0084177100000000, 0.0003828400000000 ] - [ 0.0009594300000000, -0.0079519500000000, -0.0004924100000000 ] - [ 0.0008223000000000, -0.0084177100000000, -0.0003828400000000 ] - [ -0.0003589900000000, -0.0071656800000000, -0.0004662500000000 ] - [ -0.0005203000000000, -0.0071064400000000, -0.0004464700000000 ] - [ -0.0000766200000000, -0.0109832000000000, -0.0009926000000000 ] - [ -0.0006952700000000, -0.0072125900000000, -0.0005710600000000 ] - [ 0.0014422100000000, 0.0073499700000000, -0.0017283500000000 ] - [ 0.0004850800000000, 0.0069014700000000, -0.0003744000000000 ] - [ 0.0130954900000000, 0.0320616400000000, -0.0209303600000000 ] - [ 0.0008863800000000, 0.0069802500000000, -0.0002734000000000 ] - [ 0.0000799300000000, 0.0059000700000000, 0.0011569100000000 ] - [ -0.0003955100000000, 0.0066950000000000, 0.0004451200000000 ] - [ -0.0004094200000000, 0.0067208900000000, 0.0002234800000000 ] - [ -0.0004531300000000, 0.0068037300000000, 0.0005428300000000 ] - [ -0.0019680700000000, -0.0043132500000000, 0.0018103400000000 ] - [ 0.0006127600000000, -0.0060615900000000, 0.0007642000000000 ] - [ 0.0003394300000000, -0.0067744300000000, 0.0001446800000000 ] - [ 0.0000006400000000, -0.0061731800000000, 0.0006279400000000 ] - [ -0.0004094200000000, 0.0067208900000000, -0.0002234800000000 ] - [ -0.0004531300000000, 0.0068037300000000, -0.0005428300000000 ] - [ 0.0000799300000000, 0.0059000700000000, -0.0011569100000000 ] - [ -0.0003955100000000, 0.0066950000000000, -0.0004451200000000 ] - [ 0.0003394300000000, -0.0067744300000000, -0.0001446800000000 ] - [ 0.0000006400000000, -0.0061731800000000, -0.0006279400000000 ] - [ -0.0019680700000000, -0.0043132500000000, -0.0018103400000000 ] - [ 0.0006127600000000, -0.0060615900000000, -0.0007642000000000 ] - [ -0.0000766200000000, -0.0109832000000000, 0.0009926000000000 ] - [ -0.0006952700000000, -0.0072125900000000, 0.0005710600000000 ] - [ -0.0003589900000000, -0.0071656800000000, 0.0004662500000000 ] - [ -0.0005203000000000, -0.0071064400000000, 0.0004464700000000 ] - [ 0.0130954900000000, 0.0320616400000000, 0.0209303600000000 ] - [ 0.0008863800000000, 0.0069802500000000, 0.0002734000000000 ] - [ 0.0014422100000000, 0.0073499700000000, 0.0017283500000000 ] - [ 0.0004850800000000, 0.0069014700000000, 0.0003744000000000 ] - [ -0.0004839800000000, 0.0003203000000000, -0.0050470900000000 ] - [ 0.0000263500000000, 0.0000941000000000, -0.0065624300000000 ] - [ -0.0016372900000000, 0.0199662200000000, -0.0221754300000000 ] - [ -0.0001446600000000, 0.0002473500000000, -0.0068186400000000 ] - [ 0.0011447100000000, -0.0000659300000000, 0.0054568800000000 ] - [ -0.0016463700000000, 0.0030024500000000, -0.0000250900000000 ] - [ -0.0001708700000000, 0.0001435800000000, 0.0065980800000000 ] - [ 0.0000551900000000, -0.0004229600000000, 0.0074507200000000 ] - [ -0.0016372900000000, 0.0199662200000000, 0.0221754300000000 ] - [ -0.0001446600000000, 0.0002473500000000, 0.0068186400000000 ] - [ -0.0004839800000000, 0.0003203000000000, 0.0050470900000000 ] - [ 0.0000263500000000, 0.0000941000000000, 0.0065624300000000 ] - [ -0.0001708700000000, 0.0001435800000000, -0.0065980800000000 ] - [ 0.0000551900000000, -0.0004229600000000, -0.0074507200000000 ] - [ 0.0011447100000000, -0.0000659300000000, -0.0054568800000000 ] - [ -0.0016463700000000, 0.0030024500000000, 0.0000250900000000 ] - [ -0.0034853900000000, -0.0001125700000000, 0.0003648300000000 ] - [ -0.0024376100000000, 0.0008215500000000, -0.0001006400000000 ] - [ -0.0034853900000000, -0.0001125700000000, -0.0003648300000000 ] - [ -0.0024376100000000, 0.0008215500000000, 0.0001006400000000 ] - [ 0.0078325800000000, -0.0012406800000000, 0.0039661200000000 ] - [ 0.0028876300000000, -0.0000059600000000, -0.0000085700000000 ] - [ 0.0078325800000000, -0.0012406800000000, -0.0039661200000000 ] - [ 0.0028876300000000, -0.0000059600000000, 0.0000085700000000 ] - [ -0.0020384800000000, 0.0026898200000000, -0.0010266800000000 ] - [ -0.0027530200000000, 0.0006016100000000, 0.0000249200000000 ] - [ -0.0020384800000000, 0.0026898200000000, 0.0010266800000000 ] - [ -0.0027530200000000, 0.0006016100000000, -0.0000249200000000 ] - [ 0.0004792300000000, -0.0050702400000000, 0.0005890300000000 ] - [ 0.0026317500000000, -0.0008278600000000, -0.0002161700000000 ] - [ 0.0004792300000000, -0.0050702400000000, -0.0005890300000000 ] - [ 0.0026317500000000, -0.0008278600000000, 0.0002161700000000 ] - [ -0.0283448400000000, -0.1086655800000000, 0.0000000000000000 ] - [ -0.0077998500000000, -0.0070101500000000, 0.0000000000000000 ] - [ -0.0075291500000000, -0.0077302800000000, 0.0000000000000000 ] - [ -0.0074400100000000, -0.0067531600000000, 0.0000000000000000 ] - [ 0.0110397600000000, 0.0250700100000000, 0.0000000000000000 ] - [ 0.0072262300000000, 0.0071707000000000, 0.0000000000000000 ] - [ 0.0073371100000000, 0.0070889600000000, 0.0000000000000000 ] - [ 0.0075471500000000, 0.0068172300000000, 0.0000000000000000 ] - [ -0.0150329600000000, 0.0028184500000000, 0.0000000000000000 ] - [ -0.0025852600000000, 0.0028381700000000, 0.0000000000000000 ] - [ -0.0080057100000000, 0.0061554200000000, 0.0000000000000000 ] - [ -0.0071765400000000, 0.0061598900000000, 0.0000000000000000 ] - [ 0.0083927200000000, -0.0043348700000000, 0.0000000000000000 ] - [ 0.0072633100000000, -0.0054453100000000, 0.0000000000000000 ] - [ 0.0080849700000000, -0.0062109700000000, 0.0000000000000000 ] - [ 0.0074557500000000, -0.0065329400000000, 0.0000000000000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027264100000000, 0.0020010300000000, 0.0000000000000000 ] - [ 0.0036359000000000, 0.0001813400000000, 0.0000000000000000 ] - [ 0.0040336900000000, 0.0003930200000000, 0.0000000000000000 ] - [ 0.0037704100000000, 0.0001021300000000, 0.0000000000000000 ] - [ -0.0014912600000000, -0.0078182400000000, 0.0000000000000000 ] - [ -0.0032996200000000, 0.0003317100000000, 0.0000000000000000 ] - [ -0.0045348700000000, -0.0006528200000000, 0.0000000000000000 ] - [ -0.0035917600000000, 0.0000040300000000, 0.0000000000000000 ] - [ 0.0056167500000000, 0.0010284300000000, 0.0000000000000000 ] - [ 0.0038247300000000, 0.0002546700000000, 0.0000000000000000 ] - [ 0.0034865000000000, 0.0002368000000000, 0.0000000000000000 ] - [ 0.0037346100000000, 0.0001850500000000, 0.0000000000000000 ] - [ -0.0033944400000000, -0.0008858100000000, 0.0000000000000000 ] - [ -0.0038868700000000, -0.0008986500000000, 0.0000000000000000 ] - [ -0.0031262200000000, -0.0008423400000000, 0.0000000000000000 ] - [ -0.0037217600000000, -0.0001029300000000, 0.0000000000000000 ] - [ 0.0002186400000000, -0.0064046500000000, 0.0031470400000000 ] - [ -0.0009353600000000, -0.0084600700000000, 0.0001149400000000 ] - [ 0.0002186400000000, -0.0064046500000000, -0.0031470400000000 ] - [ -0.0009353600000000, -0.0084600700000000, -0.0001149400000000 ] - [ 0.0007141100000000, 0.0083404400000000, 0.0009862200000000 ] - [ 0.0011247600000000, 0.0086100700000000, 0.0000040300000000 ] - [ 0.0007141100000000, 0.0083404400000000, -0.0009862200000000 ] - [ 0.0011247600000000, 0.0086100700000000, -0.0000040300000000 ] - [ -0.0010883600000000, 0.0086388700000000, 0.0000825100000000 ] - [ -0.0017069500000000, 0.0102403300000000, -0.0028259900000000 ] - [ -0.0010883600000000, 0.0086388700000000, -0.0000825100000000 ] - [ -0.0017069500000000, 0.0102403300000000, 0.0028259900000000 ] - [ 0.0010254900000000, -0.0092134700000000, -0.0004827200000000 ] - [ 0.0011629800000000, -0.0087496900000000, -0.0003885300000000 ] - [ 0.0010254900000000, -0.0092134700000000, 0.0004827200000000 ] - [ 0.0011629800000000, -0.0087496900000000, 0.0003885300000000 ] - [ -0.0006446600000000, -0.0066499100000000, -0.0004972500000000 ] - [ -0.0004856200000000, -0.0067138200000000, -0.0005159900000000 ] - [ -0.0009213700000000, -0.0028153900000000, 0.0000604500000000 ] - [ -0.0003110400000000, -0.0066071100000000, -0.0003891700000000 ] - [ -0.0004440800000000, 0.0064764000000000, 0.0007758300000000 ] - [ 0.0005159600000000, 0.0069149100000000, -0.0005842500000000 ] - [ -0.0115552900000000, -0.0176225900000000, 0.0189711000000000 ] - [ 0.0001180900000000, 0.0068372600000000, -0.0006859800000000 ] - [ -0.0011044500000000, 0.0079212800000000, -0.0002091000000000 ] - [ -0.0006074100000000, 0.0071091200000000, 0.0005124400000000 ] - [ -0.0006062700000000, 0.0070935400000000, 0.0007440800000000 ] - [ -0.0005480600000000, 0.0070070900000000, 0.0004176200000000 ] - [ 0.0029226500000000, -0.0095215200000000, -0.0008236600000000 ] - [ 0.0003855900000000, -0.0077593300000000, 0.0001926500000000 ] - [ 0.0006498500000000, -0.0070426800000000, 0.0008057800000000 ] - [ 0.0010090100000000, -0.0076552800000000, 0.0003286200000000 ] - [ -0.0006062700000000, 0.0070935400000000, -0.0007440800000000 ] - [ -0.0005480600000000, 0.0070070900000000, -0.0004176200000000 ] - [ -0.0011044500000000, 0.0079212800000000, 0.0002091000000000 ] - [ -0.0006074100000000, 0.0071091200000000, -0.0005124400000000 ] - [ 0.0006498500000000, -0.0070426800000000, -0.0008057800000000 ] - [ 0.0010090100000000, -0.0076552800000000, -0.0003286200000000 ] - [ 0.0029226500000000, -0.0095215200000000, 0.0008236600000000 ] - [ 0.0003855900000000, -0.0077593300000000, -0.0001926500000000 ] - [ -0.0009213700000000, -0.0028153900000000, -0.0000604500000000 ] - [ -0.0003110400000000, -0.0066071100000000, 0.0003891700000000 ] - [ -0.0006446600000000, -0.0066499100000000, 0.0004972500000000 ] - [ -0.0004856200000000, -0.0067138200000000, 0.0005159900000000 ] - [ -0.0115552900000000, -0.0176225900000000, -0.0189711000000000 ] - [ 0.0001180900000000, 0.0068372600000000, 0.0006859800000000 ] - [ -0.0004440800000000, 0.0064764000000000, -0.0007758300000000 ] - [ 0.0005159600000000, 0.0069149100000000, 0.0005842500000000 ] - [ 0.0004903200000000, -0.0003325500000000, -0.0081969700000000 ] - [ -0.0000248700000000, -0.0000972800000000, -0.0066930100000000 ] - [ 0.0016448200000000, -0.0197655900000000, 0.0086940500000000 ] - [ 0.0001455900000000, -0.0002490400000000, -0.0064380500000000 ] - [ -0.0011464000000000, 0.0001014300000000, 0.0078195500000000 ] - [ 0.0016783200000000, -0.0029869100000000, 0.0132398000000000 ] - [ 0.0001741200000000, -0.0001375800000000, 0.0066565900000000 ] - [ -0.0000465100000000, 0.0004298900000000, 0.0058115500000000 ] - [ 0.0016448200000000, -0.0197655900000000, -0.0086940500000000 ] - [ 0.0001455900000000, -0.0002490400000000, 0.0064380500000000 ] - [ 0.0004903200000000, -0.0003325500000000, 0.0081969700000000 ] - [ -0.0000248700000000, -0.0000972800000000, 0.0066930100000000 ] - [ 0.0001741200000000, -0.0001375800000000, -0.0066565900000000 ] - [ -0.0000465100000000, 0.0004298900000000, -0.0058115500000000 ] - [ -0.0011464000000000, 0.0001014300000000, -0.0078195500000000 ] - [ 0.0016783200000000, -0.0029869100000000, -0.0132398000000000 ] - [ -0.0017209400000000, -0.0006338600000000, -0.0003539200000000 ] - [ -0.0027393100000000, -0.0015733100000000, 0.0001041000000000 ] - [ -0.0017209400000000, -0.0006338600000000, 0.0003539200000000 ] - [ -0.0027393100000000, -0.0015733100000000, -0.0001041000000000 ] - [ -0.0026575200000000, 0.0020017700000000, -0.0039748000000000 ] - [ 0.0023066300000000, 0.0007556300000000, 0.0000035800000000 ] - [ -0.0026575200000000, 0.0020017700000000, 0.0039748000000000 ] - [ 0.0023066300000000, 0.0007556300000000, -0.0000035800000000 ] - [ -0.0031395600000000, -0.0019236800000000, 0.0010411800000000 ] - [ -0.0024346500000000, 0.0001507400000000, -0.0000250500000000 ] - [ -0.0031395600000000, -0.0019236800000000, -0.0010411800000000 ] - [ -0.0024346500000000, 0.0001507400000000, 0.0000250500000000 ] - [ 0.0047551000000000, 0.0043081100000000, -0.0007116100000000 ] - [ 0.0025495700000000, 0.0000743300000000, 0.0002194000000000 ] - [ 0.0047551000000000, 0.0043081100000000, 0.0007116100000000 ] - [ 0.0025495700000000, 0.0000743300000000, -0.0002194000000000 ] - [ 0.0125826700000000, 0.0935413500000000, 0.0000000000000000 ] - [ -0.0072781700000000, -0.0062429600000000, 0.0000000000000000 ] - [ -0.0075462600000000, -0.0055336700000000, 0.0000000000000000 ] - [ -0.0076407900000000, -0.0065011300000000, 0.0000000000000000 ] - [ 0.0039526900000000, -0.0121453700000000, 0.0000000000000000 ] - [ 0.0078496600000000, 0.0060851600000000, 0.0000000000000000 ] - [ 0.0077382600000000, 0.0061761100000000, 0.0000000000000000 ] - [ 0.0075277300000000, 0.0064392100000000, 0.0000000000000000 ] - [ -0.0000656800000000, 0.0103776000000000, 0.0000000000000000 ] - [ -0.0124965500000000, 0.0103968300000000, 0.0000000000000000 ] - [ -0.0070765700000000, 0.0070935900000000, 0.0000000000000000 ] - [ -0.0079051700000000, 0.0070981600000000, 0.0000000000000000 ] - [ 0.0067163600000000, -0.0089150300000000, 0.0000000000000000 ] - [ 0.0077976900000000, -0.0078127900000000, 0.0000000000000000 ] - [ 0.0069995100000000, -0.0070443200000000, 0.0000000000000000 ] - [ 0.0076166000000000, -0.0067218900000000, 0.0000000000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0037201900000000, -0.0000583900000000, 0.0011728200000000 ] - [ 0.0037177100000000, -0.0000496700000000, 0.0002967700000000 ] - [ 0.0037144500000000, -0.0000519900000000, -0.0011223300000000 ] - [ 0.0037182400000000, -0.0000494000000000, -0.0001765000000000 ] - [ -0.0037031700000000, 0.0000062300000000, 0.0005449600000000 ] - [ -0.0037174800000000, 0.0000496700000000, -0.0000866000000000 ] - [ -0.0037157500000000, 0.0000505200000000, -0.0007857700000000 ] - [ -0.0037176800000000, 0.0000492200000000, -0.0001843000000000 ] - [ 0.0037123700000000, 0.0000471700000000, 0.0004440300000000 ] - [ 0.0037157800000000, 0.0000516300000000, 0.0009758500000000 ] - [ 0.0037179600000000, 0.0000492000000000, -0.0002471100000000 ] - [ 0.0037149000000000, 0.0000522400000000, -0.0012187600000000 ] - [ -0.0037655800000000, -0.0000318900000000, 0.0038674200000000 ] - [ -0.0037158700000000, -0.0000500600000000, 0.0005284100000000 ] - [ -0.0037200900000000, -0.0000475100000000, -0.0002553300000000 ] - [ -0.0037166000000000, -0.0000500800000000, -0.0004994800000000 ] - [ -0.0002613200000000, -0.0084657700000000, 0.0000685100000000 ] - [ -0.0008117200000000, -0.0085586200000000, -0.0000163500000000 ] - [ -0.0017304400000000, -0.0086882800000000, 0.0000678400000000 ] - [ -0.0011740000000000, -0.0086027500000000, -0.0000174200000000 ] - [ 0.0007971700000000, 0.0069325500000000, 0.0000166600000000 ] - [ 0.0007209600000000, 0.0084154000000000, 0.0000659700000000 ] - [ 0.0011893400000000, 0.0102202900000000, 0.0000183200000000 ] - [ 0.0012651800000000, 0.0087469500000000, 0.0000652700000000 ] - [ -0.0001661500000000, 0.0088705000000000, 0.0000737500000000 ] - [ -0.0007520600000000, 0.0080460400000000, 0.0004562400000000 ] - [ -0.0018133000000000, 0.0083001300000000, 0.0000720900000000 ] - [ -0.0012289100000000, 0.0091099800000000, 0.0004347500000000 ] - [ -0.0003779600000000, -0.0074270700000000, -0.0007352400000000 ] - [ 0.0009276300000000, -0.0083202600000000, 0.0000676200000000 ] - [ 0.0023496800000000, -0.0097270000000000, -0.0007281800000000 ] - [ 0.0010595300000000, -0.0088395900000000, 0.0000638200000000 ] - [ -0.0004234100000000, -0.0071796200000000, -0.0009961800000000 ] - [ -0.0005808700000000, -0.0069777400000000, -0.0006512200000000 ] - [ -0.0032346500000000, -0.0026397900000000, -0.0001930700000000 ] - [ -0.0004076700000000, -0.0068915500000000, -0.0001806400000000 ] - [ 0.0007024400000000, 0.0067762600000000, -0.0031081100000000 ] - [ 0.0006138400000000, 0.0069697900000000, -0.0009179900000000 ] - [ -0.0163954200000000, -0.0159202300000000, 0.0267705800000000 ] - [ 0.0003676900000000, 0.0068065100000000, -0.0002705300000000 ] - [ -0.0007663400000000, 0.0067434900000000, 0.0009332400000000 ] - [ -0.0000519500000000, 0.0077359600000000, 0.0008371000000000 ] - [ -0.0001535000000000, 0.0066960300000000, -0.0000002000000000 ] - [ -0.0005670200000000, 0.0066071100000000, 0.0003366500000000 ] - [ 0.0011924300000000, -0.0059773300000000, 0.0014817200000000 ] - [ 0.0004527400000000, -0.0074290100000000, 0.0012321100000000 ] - [ -0.0019050400000000, -0.0060688200000000, -0.0021242900000000 ] - [ 0.0010556500000000, -0.0073163200000000, -0.0004360700000000 ] - [ -0.0008536000000000, 0.0071231700000000, -0.0009617900000000 ] - [ -0.0004336100000000, 0.0072122400000000, -0.0006218200000000 ] - [ -0.0002347300000000, 0.0070715500000000, -0.0000351900000000 ] - [ -0.0009492400000000, 0.0060816400000000, -0.0001230200000000 ] - [ 0.0029228500000000, -0.0077582100000000, -0.0031023000000000 ] - [ -0.0000530900000000, -0.0065051500000000, -0.0013957100000000 ] - [ -0.0002318300000000, -0.0078294500000000, 0.0004928900000000 ] - [ 0.0005482800000000, -0.0063872300000000, 0.0002701000000000 ] - [ 0.0022309000000000, -0.0112132700000000, 0.0007805100000000 ] - [ -0.0005966200000000, -0.0069275300000000, 0.0007810600000000 ] - [ -0.0005765700000000, -0.0066405100000000, -0.0000346100000000 ] - [ -0.0004219800000000, -0.0068413300000000, 0.0003092700000000 ] - [ 0.0181028400000000, 0.0309232400000000, 0.0287395600000000 ] - [ 0.0006384500000000, 0.0070126600000000, 0.0006920400000000 ] - [ 0.0002970700000000, 0.0070410300000000, -0.0021385200000000 ] - [ 0.0003899200000000, 0.0068482600000000, 0.0000419700000000 ] - [ -0.0000755100000000, 0.0006554400000000, -0.0048228700000000 ] - [ -0.0000124100000000, 0.0000356500000000, -0.0063433000000000 ] - [ 0.0059931400000000, -0.0149365300000000, -0.0065659800000000 ] - [ 0.0001079800000000, -0.0000446000000000, -0.0069133500000000 ] - [ -0.0006642600000000, -0.0014146900000000, 0.0056931200000000 ] - [ 0.0015970500000000, -0.0005895200000000, 0.0048560400000000 ] - [ 0.0003108900000000, 0.0005963800000000, 0.0071013100000000 ] - [ -0.0002393700000000, 0.0004314100000000, 0.0079665000000000 ] - [ -0.0059892200000000, 0.0149800900000000, 0.0066863300000000 ] - [ -0.0001080700000000, 0.0000447200000000, 0.0063430100000000 ] - [ 0.0000768800000000, -0.0006530300000000, 0.0084267100000000 ] - [ 0.0000122600000000, -0.0000355400000000, 0.0069133300000000 ] - [ -0.0003134300000000, -0.0005996000000000, -0.0061580000000000 ] - [ 0.0002447300000000, -0.0004340600000000, -0.0052849900000000 ] - [ 0.0006673700000000, 0.0014137200000000, -0.0075557200000000 ] - [ -0.0016021900000000, 0.0005908000000000, -0.0083451700000000 ] - [ -0.0035183600000000, -0.0003995600000000, 0.0005991600000000 ] - [ -0.0022304900000000, -0.0000200300000000, -0.0001279500000000 ] - [ -0.0016748600000000, -0.0003557000000000, 0.0005987700000000 ] - [ -0.0029545100000000, -0.0007321800000000, -0.0001267100000000 ] - [ 0.0090566600000000, 0.0005420900000000, 0.0057650600000000 ] - [ 0.0017028800000000, 0.0005475200000000, 0.0002836600000000 ] - [ -0.0038302500000000, 0.0002429900000000, 0.0057352500000000 ] - [ 0.0034806400000000, 0.0002075500000000, 0.0002870300000000 ] - [ -0.0021133800000000, 0.0000326000000000, 0.0002699300000000 ] - [ -0.0028668400000000, 0.0003802200000000, -0.0001406200000000 ] - [ -0.0030697000000000, 0.0007261500000000, 0.0002755600000000 ] - [ -0.0023246400000000, 0.0003745600000000, -0.0001398300000000 ] - [ -0.0064737700000000, -0.0026542000000000, 0.0166640900000000 ] - [ 0.0028685000000000, -0.0004918300000000, 0.0000459300000000 ] - [ 0.0115076600000000, 0.0018696100000000, 0.0163492600000000 ] - [ 0.0023187800000000, -0.0002630800000000, 0.0000465900000000 ] - [ -0.0080632700000000, -0.0078306900000000, -0.0939187100000000 ] - [ -0.0075398200000000, -0.0066281000000000, -0.0000944200000000 ] - [ -0.0075394800000000, -0.0066348100000000, 0.0020407100000000 ] - [ -0.0075400600000000, -0.0066277300000000, 0.0004401100000000 ] - [ 0.0075521000000000, 0.0066713700000000, -0.0031469400000000 ] - [ 0.0075386000000000, 0.0066289900000000, -0.0003438600000000 ] - [ 0.0075384600000000, 0.0066322900000000, 0.0006799500000000 ] - [ 0.0075400100000000, 0.0066278500000000, 0.0001109300000000 ] - [ -0.0075248200000000, 0.0066202500000000, -0.0030024300000000 ] - [ -0.0075534700000000, 0.0066144500000000, -0.0030032000000000 ] - [ -0.0075434400000000, 0.0066332600000000, 0.0015295600000000 ] - [ -0.0075372600000000, 0.0066301100000000, 0.0015294000000000 ] - [ 0.0075403100000000, -0.0066251900000000, -0.0007620200000000 ] - [ 0.0075385800000000, -0.0066266100000000, -0.0009277600000000 ] - [ 0.0075411900000000, -0.0066288500000000, 0.0004311700000000 ] - [ 0.0075372400000000, -0.0066291100000000, 0.0004201000000000 ]