# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ff99203c-6e7c-45f5-b426-b743069782be/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 Ba5Pt2O9 / P321 (150) / materials id 29787](https://mdr.nims.go.jp/datasets/9a8c4431-de9f-4554-a687-3ac926fab1ea) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P321" number: 150 Hall_symbol: "P 3 2\""supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 10.151896140000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.075948070000000, 8.791799960000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.897633460000000 ] # c points: - symbol: O # 1 coordinates: [ 0.851450350000000, 0.851450350000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.148549650000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.148549650000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.318488540000000, 0.825124370000000, 0.467307550000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.506635830000000, 0.681511460000000, 0.467307550000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.174875630000000, 0.493364170000000, 0.467307550000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.681511460000000, 0.506635830000000, 0.532692450000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.493364170000000, 0.174875630000000, 0.532692450000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.825124370000000, 0.318488540000000, 0.532692450000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.827557100000000, 0.478339100000000, 0.253433060000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.650782000000000, 0.172442900000000, 0.253433060000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.521660900000000, 0.349218000000000, 0.253433060000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.172442900000000, 0.650782000000000, 0.746566940000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.349218000000000, 0.521660900000000, 0.746566940000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.478339100000000, 0.827557100000000, 0.746566940000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.825079520000000, 0.993250490000000, 0.221649850000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.168170980000000, 0.174920480000000, 0.221649850000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.006749510000000, 0.831829020000000, 0.221649850000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.174920480000000, 0.168170980000000, 0.778350150000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.831829020000000, 0.006749510000000, 0.778350150000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.993250490000000, 0.825079520000000, 0.778350150000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.488995470000000, 0.173775090000000, 0.974396060000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.684779620000000, 0.511004530000000, 0.974396060000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.826224910000000, 0.315220380000000, 0.974396060000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.511004530000000, 0.684779620000000, 0.025603940000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.315220380000000, 0.826224910000000, 0.025603940000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.173775090000000, 0.488995470000000, 0.025603940000000 ] mass: 15.999400 - symbol: Ba # 28 coordinates: [ 0.303709000000000, 0.969149520000000, 0.736944190000000 ] mass: 137.327000 - symbol: Ba # 29 coordinates: [ 0.665440510000000, 0.696291000000000, 0.736944190000000 ] mass: 137.327000 - symbol: Ba # 30 coordinates: [ 0.030850480000000, 0.334559490000000, 0.736944190000000 ] mass: 137.327000 - symbol: Ba # 31 coordinates: [ 0.696291000000000, 0.665440510000000, 0.263055810000000 ] mass: 137.327000 - symbol: Ba # 32 coordinates: [ 0.334559490000000, 0.030850480000000, 0.263055810000000 ] mass: 137.327000 - symbol: Ba # 33 coordinates: [ 0.969149520000000, 0.303709000000000, 0.263055810000000 ] mass: 137.327000 - symbol: Ba # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.247205130000000 ] mass: 137.327000 - symbol: Ba # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.752794870000000 ] mass: 137.327000 - symbol: Ba # 37 coordinates: [ 0.365585670000000, 0.365585670000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 38 coordinates: [ 0.634414330000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 39 coordinates: [ 0.000000000000000, 0.634414330000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 40 coordinates: [ 0.330702130000000, 0.330702130000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 41 coordinates: [ 0.669297870000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 42 coordinates: [ 0.000000000000000, 0.669297870000000, 0.500000000000000 ] mass: 137.327000 - symbol: Pt # 43 coordinates: [ 0.333333330000000, 0.666666670000000, 0.901013800000000 ] mass: 195.084000 - symbol: Pt # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.098986200000000 ] mass: 195.084000 - symbol: Pt # 45 coordinates: [ 0.333333330000000, 0.666666670000000, 0.591979940000000 ] mass: 195.084000 - symbol: Pt # 46 coordinates: [ 0.666666670000000, 0.333333330000000, 0.408020060000000 ] mass: 195.084000 - symbol: Pt # 47 coordinates: [ 0.000000000000000, 0.000000000000000, 0.654460280000000 ] mass: 195.084000 - symbol: Pt # 48 coordinates: [ 0.000000000000000, 0.000000000000000, 0.345539720000000 ] mass: 195.084000 reciprocal_lattice: # without 2pi - [ 0.098503765819653, 0.056871175672200, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.113742351344400, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.112389435291483 ] # c*unit_cell: lattice: - [ 10.151896140000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.075948070000000, 8.791799960000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.897633460000000 ] # c points: - symbol: O # 1 coordinates: [ 0.851450350000000, 0.851450350000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.148549650000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.000000000000000, 0.148549650000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.318488540000000, 0.825124370000000, 0.467307550000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.506635830000000, 0.681511460000000, 0.467307550000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.174875630000000, 0.493364170000000, 0.467307550000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.681511460000000, 0.506635830000000, 0.532692450000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.493364170000000, 0.174875630000000, 0.532692450000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.825124370000000, 0.318488540000000, 0.532692450000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.827557100000000, 0.478339100000000, 0.253433060000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.650782000000000, 0.172442900000000, 0.253433060000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.521660900000000, 0.349218000000000, 0.253433060000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.172442900000000, 0.650782000000000, 0.746566940000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.349218000000000, 0.521660900000000, 0.746566940000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.478339100000000, 0.827557100000000, 0.746566940000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.825079520000000, 0.993250490000000, 0.221649850000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.168170980000000, 0.174920480000000, 0.221649850000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.006749510000000, 0.831829020000000, 0.221649850000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.174920480000000, 0.168170980000000, 0.778350150000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.831829020000000, 0.006749510000000, 0.778350150000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.993250490000000, 0.825079520000000, 0.778350150000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.488995470000000, 0.173775090000000, 0.974396060000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.684779620000000, 0.511004530000000, 0.974396060000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.826224910000000, 0.315220380000000, 0.974396060000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.511004530000000, 0.684779620000000, 0.025603940000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.315220380000000, 0.826224910000000, 0.025603940000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.173775090000000, 0.488995470000000, 0.025603940000000 ] mass: 15.999400 reduced_to: 27 - symbol: Ba # 28 coordinates: [ 0.303709000000000, 0.969149520000000, 0.736944190000000 ] mass: 137.327000 reduced_to: 28 - symbol: Ba # 29 coordinates: [ 0.665440510000000, 0.696291000000000, 0.736944190000000 ] mass: 137.327000 reduced_to: 29 - symbol: Ba # 30 coordinates: [ 0.030850480000000, 0.334559490000000, 0.736944190000000 ] mass: 137.327000 reduced_to: 30 - symbol: Ba # 31 coordinates: [ 0.696291000000000, 0.665440510000000, 0.263055810000000 ] mass: 137.327000 reduced_to: 31 - symbol: Ba # 32 coordinates: [ 0.334559490000000, 0.030850480000000, 0.263055810000000 ] mass: 137.327000 reduced_to: 32 - symbol: Ba # 33 coordinates: [ 0.969149520000000, 0.303709000000000, 0.263055810000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 34 - symbol: Ba # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.247205130000000 ] mass: 137.327000 reduced_to: 35 - symbol: Ba # 36 coordinates: [ 0.666666670000000, 0.333333330000000, 0.752794870000000 ] mass: 137.327000 reduced_to: 36 - symbol: Ba # 37 coordinates: [ 0.365585670000000, 0.365585670000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 37 - symbol: Ba # 38 coordinates: [ 0.634414330000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 38 - symbol: Ba # 39 coordinates: [ 0.000000000000000, 0.634414330000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 39 - symbol: Ba # 40 coordinates: [ 0.330702130000000, 0.330702130000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 40 - symbol: Ba # 41 coordinates: [ 0.669297870000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 41 - symbol: Ba # 42 coordinates: [ 0.000000000000000, 0.669297870000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 42 - symbol: Pt # 43 coordinates: [ 0.333333330000000, 0.666666670000000, 0.901013800000000 ] mass: 195.084000 reduced_to: 43 - symbol: Pt # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.098986200000000 ] mass: 195.084000 reduced_to: 44 - symbol: Pt # 45 coordinates: [ 0.333333330000000, 0.666666670000000, 0.591979940000000 ] mass: 195.084000 reduced_to: 45 - symbol: Pt # 46 coordinates: [ 0.666666670000000, 0.333333330000000, 0.408020060000000 ] mass: 195.084000 reduced_to: 46 - symbol: Pt # 47 coordinates: [ 0.000000000000000, 0.000000000000000, 0.654460280000000 ] mass: 195.084000 reduced_to: 47 - symbol: Pt # 48 coordinates: [ 0.000000000000000, 0.000000000000000, 0.345539720000000 ] mass: 195.084000 reduced_to: 48supercell: lattice: - [ 10.151896140000000, 0.000000000000000, 0.000000000000000 ] # a - [ -5.075948070000000, 8.791799960000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.795266920000000 ] # c points: - symbol: O # 1 coordinates: [ 0.851450350000000, 0.851450350000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.851450350000000, 0.851450350000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.148549650000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.148549650000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.148549650000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.148549650000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.318488540000000, 0.825124370000000, 0.233653775000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.318488540000000, 0.825124370000000, 0.733653775000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.506635830000000, 0.681511460000000, 0.233653775000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.506635830000000, 0.681511460000000, 0.733653775000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.174875630000000, 0.493364170000000, 0.233653775000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.174875630000000, 0.493364170000000, 0.733653775000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.681511460000000, 0.506635830000000, 0.266346225000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.681511460000000, 0.506635830000000, 0.766346225000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.493364170000000, 0.174875630000000, 0.266346225000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.493364170000000, 0.174875630000000, 0.766346225000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.825124370000000, 0.318488540000000, 0.266346225000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.825124370000000, 0.318488540000000, 0.766346225000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.827557100000000, 0.478339100000000, 0.126716530000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.827557100000000, 0.478339100000000, 0.626716530000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.650782000000000, 0.172442900000000, 0.126716530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.650782000000000, 0.172442900000000, 0.626716530000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.521660900000000, 0.349218000000000, 0.126716530000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.521660900000000, 0.349218000000000, 0.626716530000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.172442900000000, 0.650782000000000, 0.373283470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.172442900000000, 0.650782000000000, 0.873283470000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.349218000000000, 0.521660900000000, 0.373283470000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.349218000000000, 0.521660900000000, 0.873283470000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.478339100000000, 0.827557100000000, 0.373283470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.478339100000000, 0.827557100000000, 0.873283470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.825079520000000, 0.993250490000000, 0.110824925000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.825079520000000, 0.993250490000000, 0.610824925000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.168170980000000, 0.174920480000000, 0.110824925000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.168170980000000, 0.174920480000000, 0.610824925000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.006749510000000, 0.831829020000000, 0.110824925000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.006749510000000, 0.831829020000000, 0.610824925000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.174920480000000, 0.168170980000000, 0.389175075000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.174920480000000, 0.168170980000000, 0.889175075000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.831829020000000, 0.006749510000000, 0.389175075000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.831829020000000, 0.006749510000000, 0.889175075000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.993250490000000, 0.825079520000000, 0.389175075000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.993250490000000, 0.825079520000000, 0.889175075000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.488995470000000, 0.173775090000000, 0.487198030000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.488995470000000, 0.173775090000000, 0.987198030000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.684779620000000, 0.511004530000000, 0.487198030000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.684779620000000, 0.511004530000000, 0.987198030000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.826224910000000, 0.315220380000000, 0.487198030000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.826224910000000, 0.315220380000000, 0.987198030000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.511004530000000, 0.684779620000000, 0.012801970000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.511004530000000, 0.684779620000000, 0.512801970000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.315220380000000, 0.826224910000000, 0.012801970000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.315220380000000, 0.826224910000000, 0.512801970000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.173775090000000, 0.488995470000000, 0.012801970000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.173775090000000, 0.488995470000000, 0.512801970000000 ] mass: 15.999400 reduced_to: 53 - symbol: Ba # 55 coordinates: [ 0.303709000000000, 0.969149520000000, 0.368472095000000 ] mass: 137.327000 reduced_to: 55 - symbol: Ba # 56 coordinates: [ 0.303709000000000, 0.969149520000000, 0.868472095000000 ] mass: 137.327000 reduced_to: 55 - symbol: Ba # 57 coordinates: [ 0.665440510000000, 0.696291000000000, 0.368472095000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 58 coordinates: [ 0.665440510000000, 0.696291000000000, 0.868472095000000 ] mass: 137.327000 reduced_to: 57 - symbol: Ba # 59 coordinates: [ 0.030850480000000, 0.334559490000000, 0.368472095000000 ] mass: 137.327000 reduced_to: 59 - symbol: Ba # 60 coordinates: [ 0.030850480000000, 0.334559490000000, 0.868472095000000 ] mass: 137.327000 reduced_to: 59 - symbol: Ba # 61 coordinates: [ 0.696291000000000, 0.665440510000000, 0.131527905000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 62 coordinates: [ 0.696291000000000, 0.665440510000000, 0.631527905000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 63 coordinates: [ 0.334559490000000, 0.030850480000000, 0.131527905000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 64 coordinates: [ 0.334559490000000, 0.030850480000000, 0.631527905000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 65 coordinates: [ 0.969149520000000, 0.303709000000000, 0.131527905000000 ] mass: 137.327000 reduced_to: 65 - symbol: Ba # 66 coordinates: [ 0.969149520000000, 0.303709000000000, 0.631527905000000 ] mass: 137.327000 reduced_to: 65 - symbol: Ba # 67 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 67 - symbol: Ba # 68 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 67 - symbol: Ba # 69 coordinates: [ 0.333333330000000, 0.666666670000000, 0.123602565000000 ] mass: 137.327000 reduced_to: 69 - symbol: Ba # 70 coordinates: [ 0.333333330000000, 0.666666670000000, 0.623602565000000 ] mass: 137.327000 reduced_to: 69 - symbol: Ba # 71 coordinates: [ 0.666666670000000, 0.333333330000000, 0.376397435000000 ] mass: 137.327000 reduced_to: 71 - symbol: Ba # 72 coordinates: [ 0.666666670000000, 0.333333330000000, 0.876397435000000 ] mass: 137.327000 reduced_to: 71 - symbol: Ba # 73 coordinates: [ 0.365585670000000, 0.365585670000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 74 coordinates: [ 0.365585670000000, 0.365585670000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 75 coordinates: [ 0.634414330000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 75 - symbol: Ba # 76 coordinates: [ 0.634414330000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 75 - symbol: Ba # 77 coordinates: [ 0.000000000000000, 0.634414330000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 77 - symbol: Ba # 78 coordinates: [ 0.000000000000000, 0.634414330000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 77 - symbol: Ba # 79 coordinates: [ 0.330702130000000, 0.330702130000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 80 coordinates: [ 0.330702130000000, 0.330702130000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 81 coordinates: [ 0.669297870000000, 0.000000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 81 - symbol: Ba # 82 coordinates: [ 0.669297870000000, 0.000000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 81 - symbol: Ba # 83 coordinates: [ 0.000000000000000, 0.669297870000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 83 - symbol: Ba # 84 coordinates: [ 0.000000000000000, 0.669297870000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 83 - symbol: Pt # 85 coordinates: [ 0.333333330000000, 0.666666670000000, 0.450506900000000 ] mass: 195.084000 reduced_to: 85 - symbol: Pt # 86 coordinates: [ 0.333333330000000, 0.666666670000000, 0.950506900000000 ] mass: 195.084000 reduced_to: 85 - symbol: Pt # 87 coordinates: [ 0.666666670000000, 0.333333330000000, 0.049493100000000 ] mass: 195.084000 reduced_to: 87 - symbol: Pt # 88 coordinates: [ 0.666666670000000, 0.333333330000000, 0.549493100000000 ] mass: 195.084000 reduced_to: 87 - symbol: Pt # 89 coordinates: [ 0.333333330000000, 0.666666670000000, 0.295989970000000 ] mass: 195.084000 reduced_to: 89 - symbol: Pt # 90 coordinates: [ 0.333333330000000, 0.666666670000000, 0.795989970000000 ] mass: 195.084000 reduced_to: 89 - symbol: Pt # 91 coordinates: [ 0.666666670000000, 0.333333330000000, 0.204010030000000 ] mass: 195.084000 reduced_to: 91 - symbol: Pt # 92 coordinates: [ 0.666666670000000, 0.333333330000000, 0.704010030000000 ] mass: 195.084000 reduced_to: 91 - symbol: Pt # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.327230140000000 ] mass: 195.084000 reduced_to: 93 - symbol: Pt # 94 coordinates: [ 0.000000000000000, 0.000000000000000, 0.827230140000000 ] mass: 195.084000 reduced_to: 93 - symbol: Pt # 95 coordinates: [ 0.000000000000000, 0.000000000000000, 0.172769860000000 ] mass: 195.084000 reduced_to: 95 - symbol: Pt # 96 coordinates: [ 0.000000000000000, 0.000000000000000, 0.672769860000000 ] mass: 195.084000 reduced_to: 95displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0884091700000000, -0.0556118800000000, -0.0015747900000000 ] - [ -0.0000562500000000, -0.0000989200000000, -0.0000261300000000 ] - [ 0.0076270300000000, 0.0098844900000000, -0.0000644600000000 ] - [ -0.0000142200000000, -0.0000031200000000, -0.0000252300000000 ] - [ -0.0042745900000000, -0.0029374900000000, -0.0000586200000000 ] - [ -0.0000051600000000, -0.0000016600000000, -0.0000295900000000 ] - [ 0.0015175800000000, 0.0006969500000000, 0.0000436300000000 ] - [ -0.0000210800000000, 0.0000027400000000, -0.0001349400000000 ] - [ 0.0057302000000000, 0.0037313900000000, -0.0001936000000000 ] - [ -0.0000020600000000, 0.0000186900000000, -0.0000812000000000 ] - [ 0.0013279900000000, -0.0001633800000000, 0.0000098600000000 ] - [ 0.0000062600000000, 0.0000267100000000, -0.0001133500000000 ] - [ -0.0014831200000000, 0.0011929900000000, 0.0005125500000000 ] - [ 0.0000331500000000, -0.0000216000000000, 0.0000185300000000 ] - [ 0.0018027900000000, -0.0008956100000000, -0.0000427400000000 ] - [ 0.0000322900000000, 0.0000350500000000, 0.0000449100000000 ] - [ -0.0003162800000000, -0.0020069700000000, 0.0000345400000000 ] - [ -0.0000019900000000, -0.0000166300000000, 0.0000666900000000 ] - [ -0.0007811700000000, -0.0003110200000000, -0.0000800200000000 ] - [ -0.0000135900000000, -0.0000031600000000, 0.0000411200000000 ] - [ 0.0002938000000000, -0.0004957600000000, 0.0012589200000000 ] - [ -0.0000812400000000, 0.0001983200000000, -0.0001444100000000 ] - [ 0.0003960800000000, 0.0006853200000000, 0.0002520000000000 ] - [ 0.0002583600000000, -0.0000086300000000, 0.0001828400000000 ] - [ 0.0015878000000000, -0.0000037200000000, -0.0005451000000000 ] - [ 0.0001840200000000, 0.0000186000000000, 0.0000405900000000 ] - [ 0.0004988400000000, 0.0009064500000000, -0.0002080600000000 ] - [ -0.0001221500000000, 0.0002016300000000, -0.0002196400000000 ] - [ 0.0009886400000000, 0.0005799800000000, -0.0008662300000000 ] - [ 0.0000454900000000, 0.0000459100000000, -0.0001216500000000 ] - [ -0.0034371900000000, -0.0034361300000000, 0.0032754000000000 ] - [ -0.0002472100000000, 0.0000247600000000, 0.0000391800000000 ] - [ -0.0048294800000000, 0.0060776300000000, -0.0072728500000000 ] - [ 0.0000301100000000, -0.0000585600000000, 0.0001625500000000 ] - [ -0.0000204700000000, 0.0005110000000000, -0.0011537100000000 ] - [ 0.0000903900000000, -0.0001200300000000, 0.0000253900000000 ] - [ -0.0052697300000000, 0.0064193200000000, 0.0078940600000000 ] - [ -0.0000235100000000, -0.0000816500000000, -0.0002156400000000 ] - [ -0.0036244900000000, -0.0030040000000000, -0.0023603400000000 ] - [ -0.0002177000000000, -0.0000179600000000, -0.0000898000000000 ] - [ 0.0000976400000000, 0.0002526700000000, 0.0016163100000000 ] - [ 0.0001183200000000, -0.0000956200000000, -0.0000958500000000 ] - [ 0.0004058600000000, 0.0000537000000000, 0.0000590800000000 ] - [ 0.0003344000000000, 0.0000143900000000, 0.0000687000000000 ] - [ -0.0001828900000000, 0.0006381900000000, -0.0006958600000000 ] - [ 0.0001866500000000, 0.0001933900000000, 0.0009365900000000 ] - [ -0.0001379800000000, -0.0000589400000000, -0.0000325500000000 ] - [ -0.0001895500000000, -0.0000565500000000, 0.0001808200000000 ] - [ 0.0003481600000000, 0.0002267400000000, 0.0004245300000000 ] - [ 0.0004344100000000, 0.0002415400000000, -0.0008665200000000 ] - [ 0.0001468400000000, -0.0001691400000000, 0.0000259000000000 ] - [ 0.0001588300000000, -0.0001369700000000, -0.0001479300000000 ] - [ -0.0001337300000000, 0.0006131500000000, -0.0001748100000000 ] - [ -0.0000055700000000, 0.0006122600000000, -0.0002578000000000 ] - [ -0.0015191100000000, 0.0003727400000000, 0.0000148100000000 ] - [ -0.0000422300000000, 0.0000296100000000, 0.0000272300000000 ] - [ 0.0019174400000000, 0.0012807400000000, -0.0008438900000000 ] - [ -0.0000524400000000, 0.0000226000000000, -0.0000878700000000 ] - [ 0.0012748000000000, -0.0003241400000000, 0.0004618300000000 ] - [ 0.0001240800000000, -0.0000301200000000, 0.0001032400000000 ] - [ 0.0022033000000000, 0.0005456600000000, 0.0003729700000000 ] - [ 0.0000368000000000, -0.0000054800000000, 0.0001534600000000 ] - [ -0.0017309500000000, 0.0002966600000000, -0.0003185300000000 ] - [ -0.0000929600000000, 0.0000584300000000, 0.0000106300000000 ] - [ 0.0014696000000000, 0.0004250000000000, -0.0004854900000000 ] - [ 0.0000756100000000, -0.0000294800000000, 0.0000347600000000 ] - [ 0.0006711500000000, 0.0009449800000000, 0.0009305700000000 ] - [ 0.0007218800000000, 0.0008709900000000, -0.0007784600000000 ] - [ -0.0008065400000000, -0.0005385100000000, -0.0010668400000000 ] - [ 0.0000253800000000, -0.0000373800000000, 0.0000568300000000 ] - [ 0.0000975800000000, 0.0000125200000000, 0.0007113100000000 ] - [ -0.0000594600000000, -0.0000202300000000, 0.0000771000000000 ] - [ -0.0009688000000000, -0.0010469000000000, 0.0005369000000000 ] - [ -0.0007140700000000, -0.0010838200000000, -0.0004231500000000 ] - [ -0.0001144600000000, -0.0000287700000000, -0.0003956500000000 ] - [ -0.0001414400000000, 0.0002060800000000, 0.0004398600000000 ] - [ 0.0001095300000000, 0.0001803600000000, 0.0000827400000000 ] - [ -0.0000446900000000, 0.0001399200000000, -0.0000066900000000 ] - [ -0.0007404900000000, -0.0016211500000000, -0.0001752900000000 ] - [ -0.0000451800000000, -0.0000598100000000, 0.0000346400000000 ] - [ 0.0010927600000000, 0.0014690400000000, 0.0000681500000000 ] - [ 0.0000681200000000, -0.0000116500000000, 0.0000504200000000 ] - [ 0.0043461500000000, -0.0017992400000000, -0.0000632100000000 ] - [ -0.0000214800000000, 0.0000654800000000, 0.0000176200000000 ] - [ -0.0004662500000000, -0.0004226800000000, 0.0003515700000000 ] - [ -0.0002118400000000, -0.0001433200000000, -0.0000197200000000 ] - [ -0.0000233400000000, 0.0002736000000000, -0.0003543600000000 ] - [ -0.0000777100000000, -0.0002714700000000, 0.0001156000000000 ] - [ -0.0012662900000000, 0.0001582900000000, 0.0015669600000000 ] - [ 0.0000328600000000, -0.0000568900000000, 0.0000964600000000 ] - [ 0.0001245800000000, 0.0005474400000000, -0.0010221500000000 ] - [ -0.0000919600000000, 0.0000117300000000, 0.0000024300000000 ] - [ 0.0424385100000000, 0.0178129100000000, 0.0162048400000000 ] - [ 0.0000258400000000, 0.0000411300000000, 0.0000276100000000 ] - [ 0.0415745700000000, 0.0174378100000000, -0.0158705000000000 ] - [ 0.0000207900000000, 0.0000384100000000, 0.0000400300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0879588400000000, 0.0544853500000000, 0.0014897500000000 ] - [ 0.0000831600000000, 0.0001459900000000, 0.0000266300000000 ] - [ -0.0073764100000000, -0.0095387300000000, 0.0000582400000000 ] - [ -0.0000373100000000, 0.0000042700000000, 0.0000260600000000 ] - [ 0.0043123200000000, 0.0028643500000000, 0.0000528200000000 ] - [ 0.0000323100000000, -0.0000437500000000, 0.0000295800000000 ] - [ -0.0015622800000000, -0.0007054000000000, -0.0001427800000000 ] - [ -0.0000181400000000, -0.0000098200000000, 0.0000405000000000 ] - [ -0.0057642500000000, -0.0037347900000000, 0.0000917800000000 ] - [ 0.0000133500000000, 0.0000191100000000, -0.0000132500000000 ] - [ -0.0012860500000000, 0.0001213100000000, -0.0001094600000000 ] - [ 0.0000183100000000, -0.0000580100000000, 0.0000180500000000 ] - [ 0.0015125600000000, -0.0011360100000000, -0.0004208100000000 ] - [ -0.0000063500000000, 0.0000512400000000, 0.0000773200000000 ] - [ -0.0018653600000000, 0.0009190300000000, 0.0001416700000000 ] - [ -0.0000719400000000, -0.0000297000000000, 0.0000511200000000 ] - [ 0.0003292600000000, 0.0019795300000000, 0.0000631700000000 ] - [ 0.0000162500000000, -0.0000202700000000, 0.0000294700000000 ] - [ 0.0007443200000000, 0.0002205300000000, 0.0002211200000000 ] - [ -0.0000249600000000, -0.0000887600000000, 0.0001086200000000 ] - [ -0.0003608100000000, 0.0005873700000000, -0.0011206800000000 ] - [ 0.0000239400000000, -0.0001226000000000, 0.0002968800000000 ] - [ -0.0003084500000000, -0.0006803500000000, -0.0001075800000000 ] - [ -0.0001608000000000, 0.0000192300000000, -0.0000334500000000 ] - [ -0.0014920900000000, -0.0000069800000000, 0.0004052100000000 ] - [ -0.0000889000000000, -0.0000298100000000, -0.0001900200000000 ] - [ -0.0005409500000000, -0.0008250800000000, 0.0000599800000000 ] - [ 0.0000821000000000, -0.0001105600000000, 0.0000718000000000 ] - [ -0.0010559400000000, -0.0006631900000000, 0.0007289700000000 ] - [ -0.0001027900000000, -0.0001205000000000, -0.0000278900000000 ] - [ 0.0034087000000000, 0.0034733900000000, -0.0034073300000000 ] - [ 0.0002155700000000, 0.0000086500000000, -0.0001337300000000 ] - [ 0.0048009400000000, -0.0060230700000000, 0.0071503000000000 ] - [ 0.0000153500000000, 0.0000694500000000, -0.0002566200000000 ] - [ 0.0000017700000000, -0.0005474200000000, 0.0010528400000000 ] - [ -0.0001058700000000, 0.0000749000000000, -0.0001185000000000 ] - [ 0.0052078400000000, -0.0063224900000000, -0.0077566200000000 ] - [ 0.0000108600000000, 0.0001267700000000, 0.0003111600000000 ] - [ 0.0036026500000000, 0.0029849900000000, 0.0024974200000000 ] - [ 0.0001870500000000, -0.0000177800000000, 0.0001847000000000 ] - [ -0.0000574600000000, -0.0002615300000000, -0.0015154900000000 ] - [ -0.0000725800000000, 0.0000831300000000, 0.0001915900000000 ] - [ -0.0003489800000000, 0.0000184900000000, 0.0001292500000000 ] - [ -0.0002754300000000, 0.0000595900000000, 0.0001204600000000 ] - [ 0.0002205400000000, -0.0007341500000000, 0.0008928800000000 ] - [ -0.0001518400000000, -0.0002853300000000, -0.0007559300000000 ] - [ 0.0000422500000000, 0.0000758700000000, 0.0002233400000000 ] - [ 0.0000962200000000, 0.0000738600000000, 0.0000077100000000 ] - [ -0.0004460500000000, -0.0002450100000000, -0.0006170200000000 ] - [ -0.0005344200000000, -0.0002589900000000, 0.0006891000000000 ] - [ -0.0000867900000000, 0.0000953700000000, -0.0002162900000000 ] - [ -0.0000988400000000, 0.0000638700000000, -0.0000396200000000 ] - [ 0.0001687200000000, -0.0005243700000000, -0.0000156100000000 ] - [ 0.0000384500000000, -0.0005249600000000, 0.0000709900000000 ] - [ 0.0016563800000000, -0.0004062400000000, -0.0000340500000000 ] - [ 0.0001582900000000, -0.0000532300000000, -0.0000345800000000 ] - [ -0.0020135500000000, -0.0014275300000000, 0.0009218800000000 ] - [ -0.0000244200000000, -0.0001115300000000, 0.0000823300000000 ] - [ -0.0013292100000000, 0.0004463100000000, -0.0004736200000000 ] - [ -0.0001612800000000, 0.0001405100000000, -0.0001099700000000 ] - [ -0.0022514800000000, -0.0006778100000000, -0.0003948900000000 ] - [ -0.0000758500000000, -0.0001061300000000, -0.0001497800000000 ] - [ 0.0018733900000000, -0.0002786000000000, 0.0003387400000000 ] - [ 0.0002078100000000, -0.0000349100000000, -0.0000040800000000 ] - [ -0.0015678900000000, -0.0003321400000000, 0.0005000800000000 ] - [ -0.0001538200000000, 0.0001172900000000, -0.0000297200000000 ] - [ -0.0006783100000000, -0.0009537000000000, -0.0009584200000000 ] - [ -0.0007304500000000, -0.0008783000000000, 0.0008030600000000 ] - [ 0.0008080400000000, 0.0005425600000000, 0.0007529000000000 ] - [ -0.0000241700000000, 0.0000370300000000, -0.0003881500000000 ] - [ -0.0000940200000000, -0.0000138200000000, -0.0003937600000000 ] - [ 0.0000583200000000, 0.0000207000000000, 0.0002512800000000 ] - [ 0.0010135600000000, 0.0011234100000000, -0.0005481900000000 ] - [ 0.0007566200000000, 0.0011650600000000, 0.0004317900000000 ] - [ 0.0000432900000000, 0.0000287600000000, 0.0004002000000000 ] - [ 0.0000718100000000, -0.0002098100000000, -0.0004466200000000 ] - [ -0.0000742900000000, -0.0002470300000000, -0.0000834500000000 ] - [ 0.0000828800000000, -0.0002055100000000, 0.0000072800000000 ] - [ 0.0007454600000000, 0.0016214400000000, 0.0001765600000000 ] - [ 0.0000400300000000, 0.0000496800000000, -0.0000351400000000 ] - [ -0.0013635700000000, -0.0013097000000000, -0.0000662200000000 ] - [ -0.0000573900000000, 0.0000111300000000, -0.0000506500000000 ] - [ -0.0040602300000000, 0.0016274100000000, 0.0000621900000000 ] - [ 0.0000153000000000, -0.0000560500000000, -0.0000177700000000 ] - [ 0.0004739800000000, 0.0004249300000000, -0.0002949300000000 ] - [ 0.0002152600000000, 0.0001417600000000, 0.0000821800000000 ] - [ 0.0000218200000000, -0.0002721300000000, 0.0002960000000000 ] - [ 0.0000735100000000, 0.0002763800000000, -0.0001809100000000 ] - [ 0.0012716300000000, -0.0001616500000000, -0.0015054900000000 ] - [ -0.0000283400000000, 0.0000565900000000, -0.0000228000000000 ] - [ -0.0001143600000000, -0.0005515900000000, 0.0009571900000000 ] - [ 0.0000882100000000, -0.0000101900000000, -0.0000772700000000 ] - [ -0.0423061400000000, -0.0173863300000000, -0.0159476900000000 ] - [ -0.0000274100000000, -0.0000398100000000, -0.0000808600000000 ] - [ -0.0413624700000000, -0.0170242900000000, 0.0156415900000000 ] - [ -0.0000185400000000, -0.0000391600000000, 0.0000119500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0025027000000000, -0.0007967600000000, -0.1306180600000000 ] - [ -0.0000134100000000, 0.0000379300000000, 0.0009361500000000 ] - [ -0.0001054200000000, -0.0001565700000000, -0.0023968600000000 ] - [ -0.0000220500000000, -0.0000313000000000, 0.0007592800000000 ] - [ 0.0000283600000000, -0.0000923400000000, -0.0023958500000000 ] - [ 0.0000430300000000, -0.0000099700000000, 0.0007587500000000 ] - [ -0.0004506200000000, 0.0006092500000000, -0.0016787600000000 ] - [ 0.0001214500000000, -0.0002486200000000, 0.0008031800000000 ] - [ 0.0014935700000000, -0.0000473600000000, -0.0033464700000000 ] - [ -0.0002380400000000, 0.0000160600000000, 0.0007525200000000 ] - [ -0.0001091900000000, -0.0005791200000000, -0.0015478500000000 ] - [ 0.0001201500000000, 0.0001581200000000, 0.0007413700000000 ] - [ 0.0008117100000000, -0.0011808800000000, -0.0032508000000000 ] - [ -0.0001057300000000, 0.0002271200000000, 0.0008483900000000 ] - [ 0.0004111400000000, 0.0003819200000000, -0.0014532900000000 ] - [ -0.0001161400000000, -0.0001774100000000, 0.0008377800000000 ] - [ -0.0007300600000000, 0.0000456200000000, -0.0015812900000000 ] - [ 0.0002904700000000, -0.0000179700000000, 0.0008996100000000 ] - [ -0.0001532700000000, 0.0007573600000000, -0.0005181000000000 ] - [ 0.0000118500000000, 0.0000449300000000, 0.0007825200000000 ] - [ 0.0001127800000000, -0.0002644300000000, -0.0010033700000000 ] - [ 0.0000685100000000, -0.0001841200000000, 0.0009314200000000 ] - [ -0.0018017300000000, 0.0008983300000000, -0.0010590100000000 ] - [ 0.0004614800000000, -0.0000691700000000, 0.0010344500000000 ] - [ 0.0003807500000000, 0.0000224200000000, -0.0011680400000000 ] - [ 0.0002849000000000, 0.0000207100000000, 0.0007791400000000 ] - [ -0.0017434000000000, 0.0012091800000000, -0.0012221100000000 ] - [ 0.0002480500000000, -0.0002711700000000, 0.0008845100000000 ] - [ -0.0007966100000000, -0.0003168500000000, -0.0006756900000000 ] - [ -0.0000909600000000, -0.0001082200000000, 0.0006330800000000 ] - [ -0.0006901000000000, -0.0025340800000000, 0.0009710000000000 ] - [ -0.0000726200000000, 0.0001321000000000, 0.0011028700000000 ] - [ -0.0057311500000000, -0.0092004300000000, 0.0042419200000000 ] - [ -0.0001522900000000, -0.0003552500000000, 0.0013139000000000 ] - [ -0.0012173400000000, -0.0016704400000000, 0.0002126500000000 ] - [ 0.0000836800000000, -0.0000469900000000, 0.0010618000000000 ] - [ 0.0052652600000000, 0.0098791300000000, 0.0043194400000000 ] - [ 0.0002173000000000, 0.0003521800000000, 0.0014057100000000 ] - [ 0.0008436000000000, 0.0018832600000000, 0.0002936200000000 ] - [ 0.0000487900000000, -0.0000833300000000, 0.0011556800000000 ] - [ 0.0019183600000000, 0.0019032100000000, 0.0010786000000000 ] - [ -0.0001031000000000, -0.0000164600000000, 0.0011971500000000 ] - [ 0.0009674800000000, 0.0002704000000000, 0.0005637900000000 ] - [ -0.0005239700000000, 0.0001182200000000, 0.0005012900000000 ] - [ 0.0010959600000000, -0.0010394900000000, 0.0009765300000000 ] - [ -0.0010619800000000, 0.0006286000000000, 0.0013077600000000 ] - [ -0.0003929500000000, 0.0000764800000000, 0.0003074200000000 ] - [ -0.0000906300000000, 0.0000203700000000, 0.0005340300000000 ] - [ 0.0013352900000000, -0.0004396600000000, 0.0007775100000000 ] - [ -0.0011883900000000, 0.0005957100000000, 0.0011302600000000 ] - [ -0.0002021000000000, 0.0002285500000000, 0.0001221700000000 ] - [ -0.0000023100000000, -0.0000054000000000, 0.0003431000000000 ] - [ 0.0002792100000000, -0.0008783200000000, 0.0003756600000000 ] - [ -0.0003328600000000, 0.0004914400000000, 0.0003081100000000 ] - [ -0.0019529000000000, 0.0013041400000000, 0.0014412400000000 ] - [ 0.0001411500000000, 0.0000250300000000, -0.0008732700000000 ] - [ -0.0026107100000000, -0.0044774400000000, 0.0076539300000000 ] - [ 0.0000400200000000, 0.0000243900000000, -0.0010993400000000 ] - [ 0.0026117800000000, -0.0015266100000000, 0.0017436900000000 ] - [ -0.0002572300000000, 0.0000356000000000, -0.0009686900000000 ] - [ 0.0023773800000000, 0.0040580100000000, 0.0072680800000000 ] - [ -0.0000394700000000, -0.0001585700000000, -0.0010954500000000 ] - [ 0.0027339700000000, -0.0014632700000000, 0.0017312500000000 ] - [ -0.0000461800000000, 0.0002303300000000, -0.0009616500000000 ] - [ -0.0021724100000000, 0.0011318100000000, 0.0014294700000000 ] - [ -0.0000290100000000, -0.0000474400000000, -0.0008652800000000 ] - [ -0.0008380200000000, -0.0016407400000000, -0.0038687500000000 ] - [ 0.0010070500000000, 0.0015533900000000, -0.0038691400000000 ] - [ -0.0006898900000000, 0.0004208900000000, 0.0012976200000000 ] - [ 0.0000778700000000, -0.0000960900000000, -0.0017392400000000 ] - [ -0.0007212700000000, 0.0003938600000000, 0.0016414000000000 ] - [ 0.0001201300000000, -0.0000186800000000, -0.0014132400000000 ] - [ 0.0009403900000000, 0.0016599800000000, -0.0024639600000000 ] - [ -0.0009304500000000, -0.0015831900000000, -0.0024813700000000 ] - [ -0.0004016300000000, 0.0001123400000000, -0.0004618500000000 ] - [ 0.0003155600000000, -0.0003155300000000, -0.0005273200000000 ] - [ 0.0004658700000000, -0.0001820700000000, -0.0005343600000000 ] - [ -0.0002649100000000, 0.0002249300000000, -0.0004532100000000 ] - [ -0.0001271600000000, 0.0000749100000000, 0.0052618700000000 ] - [ 0.0001795700000000, -0.0001104300000000, -0.0009213400000000 ] - [ -0.0001107100000000, -0.0001245400000000, 0.0028056500000000 ] - [ 0.0000046600000000, 0.0002147200000000, -0.0007919700000000 ] - [ 0.0000547000000000, 0.0001443600000000, 0.0028040500000000 ] - [ -0.0001898700000000, -0.0001016600000000, -0.0007917500000000 ] - [ 0.0008170500000000, -0.0001601400000000, 0.0002724300000000 ] - [ -0.0002032100000000, -0.0000078900000000, -0.0008642000000000 ] - [ 0.0005313600000000, -0.0006139200000000, 0.0002033400000000 ] - [ -0.0000988800000000, 0.0001862800000000, -0.0009269100000000 ] - [ 0.0005565600000000, 0.0001526200000000, 0.0019850600000000 ] - [ 0.0000090600000000, 0.0001278500000000, -0.0010092600000000 ] - [ 0.0001413800000000, -0.0005454200000000, 0.0018750300000000 ] - [ -0.0001100800000000, -0.0000691300000000, -0.0010843900000000 ] - [ 0.0212498800000000, 0.0351772200000000, 0.0554734600000000 ] - [ -0.0000596600000000, -0.0000905200000000, -0.0011336700000000 ] - [ -0.0187748700000000, -0.0342026500000000, 0.0533250500000000 ] - [ 0.0000510700000000, 0.0000968400000000, -0.0010815900000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015521900000000, -0.0008909000000000, -0.0004269700000000 ] - [ 0.0000118100000000, 0.0000291700000000, 0.0001409100000000 ] - [ 0.0063182800000000, -0.0033535600000000, -0.0006625700000000 ] - [ -0.0000504400000000, -0.0000095900000000, 0.0001243900000000 ] - [ 0.0018560700000000, -0.0001795900000000, -0.0004288700000000 ] - [ 0.0000656800000000, -0.0000984000000000, 0.0000959900000000 ] - [ -0.0694811200000000, 0.0563091700000000, -0.0240558900000000 ] - [ -0.0000776900000000, 0.0000421900000000, 0.0001535900000000 ] - [ 0.0014964500000000, -0.0037844600000000, 0.0031376600000000 ] - [ 0.0000743100000000, 0.0000250700000000, 0.0001155000000000 ] - [ -0.0037762700000000, 0.0006851400000000, -0.0015202400000000 ] - [ -0.0000032100000000, -0.0000702100000000, 0.0000925900000000 ] - [ 0.0038840500000000, 0.0022737400000000, -0.0005068100000000 ] - [ 0.0000469900000000, -0.0000117900000000, 0.0002008800000000 ] - [ -0.0015564300000000, 0.0000714200000000, -0.0001698000000000 ] - [ 0.0000103200000000, 0.0000351500000000, 0.0002027200000000 ] - [ -0.0004598500000000, 0.0021983600000000, -0.0002280800000000 ] - [ -0.0000282000000000, -0.0000039800000000, 0.0002204100000000 ] - [ 0.0005721200000000, 0.0010369400000000, 0.0011606000000000 ] - [ -0.0001773800000000, -0.0002479400000000, -0.0000636000000000 ] - [ -0.0010811500000000, 0.0011686200000000, -0.0002563700000000 ] - [ -0.0000595100000000, 0.0000893300000000, 0.0001450600000000 ] - [ -0.0002743000000000, -0.0009129300000000, 0.0000486400000000 ] - [ 0.0002679300000000, -0.0000043100000000, 0.0002837900000000 ] - [ -0.0048624700000000, 0.0024551200000000, -0.0023006000000000 ] - [ -0.0001238500000000, 0.0000353600000000, -0.0000615300000000 ] - [ -0.0039670900000000, -0.0068745200000000, 0.0069106700000000 ] - [ -0.0000062600000000, 0.0001128100000000, 0.0000828100000000 ] - [ 0.0001181500000000, -0.0002813300000000, 0.0015280300000000 ] - [ 0.0000675100000000, 0.0002391100000000, -0.0002070000000000 ] - [ 0.0017457300000000, 0.0001322500000000, 0.0000604100000000 ] - [ 0.0001389900000000, 0.0000325800000000, -0.0000750100000000 ] - [ 0.0009213900000000, -0.0007184200000000, -0.0000404100000000 ] - [ -0.0001270000000000, -0.0002727800000000, 0.0000413200000000 ] - [ 0.0021768000000000, -0.0007186500000000, 0.0014905000000000 ] - [ -0.0000876500000000, 0.0000264400000000, -0.0000711000000000 ] - [ 0.0001189200000000, -0.0012928900000000, -0.0004864400000000 ] - [ 0.0000235300000000, -0.0000551100000000, 0.0003224400000000 ] - [ 0.0019092800000000, 0.0000232700000000, -0.0001440800000000 ] - [ 0.0000807800000000, 0.0000074900000000, 0.0003106800000000 ] - [ 0.0009516300000000, -0.0004443400000000, -0.0014875400000000 ] - [ 0.0000418300000000, -0.0000171700000000, 0.0003164400000000 ] - [ -0.0002270400000000, -0.0005818700000000, -0.0007361200000000 ] - [ -0.0002083400000000, -0.0000219200000000, 0.0011717700000000 ] - [ 0.0003158300000000, -0.0000983600000000, -0.0000163300000000 ] - [ 0.0000561500000000, 0.0000027500000000, 0.0001858100000000 ] - [ -0.0002671600000000, 0.0000565800000000, -0.0000635000000000 ] - [ -0.0003645100000000, 0.0000850600000000, 0.0003358800000000 ] - [ 0.0006865900000000, 0.0002189500000000, -0.0007202700000000 ] - [ -0.0000782600000000, 0.0001032400000000, 0.0000704900000000 ] - [ -0.0009125700000000, 0.0008830000000000, -0.0001306600000000 ] - [ -0.0012427700000000, 0.0017770700000000, 0.0007267400000000 ] - [ -0.0013783400000000, -0.0013935400000000, -0.0027721100000000 ] - [ -0.0004604800000000, -0.0002418800000000, 0.0004791100000000 ] - [ 0.0032799800000000, 0.0003374100000000, 0.0013173800000000 ] - [ 0.0001348800000000, -0.0002021000000000, -0.0003272300000000 ] - [ -0.0028482900000000, -0.0004552000000000, 0.0001884200000000 ] - [ -0.0002136900000000, -0.0000372100000000, -0.0001112000000000 ] - [ 0.0013453300000000, 0.0008868100000000, 0.0006531900000000 ] - [ 0.0000542800000000, 0.0002611200000000, 0.0000142500000000 ] - [ -0.0021959800000000, 0.0000617300000000, -0.0001124000000000 ] - [ -0.0002105000000000, -0.0000717000000000, -0.0001265900000000 ] - [ 0.0049059000000000, -0.0014973800000000, 0.0026083200000000 ] - [ 0.0001187700000000, -0.0001662000000000, -0.0001615100000000 ] - [ 0.0002312500000000, 0.0000356900000000, -0.0001685700000000 ] - [ 0.0001128800000000, 0.0001948400000000, -0.0001757600000000 ] - [ -0.0003252400000000, 0.0001192700000000, -0.0010665400000000 ] - [ -0.0001181100000000, 0.0001654200000000, 0.0007193300000000 ] - [ 0.0076513100000000, -0.0077511000000000, -0.0078968800000000 ] - [ -0.0000777600000000, 0.0000142700000000, -0.0009944200000000 ] - [ 0.0000457800000000, -0.0003501800000000, 0.0011012600000000 ] - [ 0.0000284100000000, 0.0000382400000000, -0.0003280000000000 ] - [ -0.0006606000000000, 0.0009510900000000, -0.0002153600000000 ] - [ -0.0009312300000000, 0.0011390200000000, -0.0010433600000000 ] - [ -0.0000609600000000, -0.0006113100000000, 0.0002731800000000 ] - [ -0.0002425100000000, -0.0006148900000000, -0.0001842500000000 ] - [ 0.0005872400000000, -0.0005428100000000, -0.0009825900000000 ] - [ 0.0006557200000000, -0.0002263600000000, 0.0004779400000000 ] - [ -0.0010003700000000, 0.0022126200000000, 0.0012078900000000 ] - [ -0.0000431900000000, 0.0000620100000000, -0.0001470300000000 ] - [ -0.0034203400000000, -0.0029923200000000, -0.0004083600000000 ] - [ -0.0000374600000000, -0.0000602100000000, -0.0000870800000000 ] - [ 0.0019724000000000, -0.0005800100000000, 0.0001578900000000 ] - [ 0.0000860300000000, -0.0000038500000000, -0.0000883600000000 ] - [ 0.0023732700000000, -0.0015522000000000, -0.0009742400000000 ] - [ -0.0000258800000000, -0.0005663200000000, 0.0006190900000000 ] - [ 0.0002098800000000, -0.0003379600000000, -0.0004128700000000 ] - [ 0.0001093400000000, 0.0002352000000000, 0.0000420100000000 ] - [ 0.0577890300000000, -0.0352703300000000, 0.0240625400000000 ] - [ 0.0000002600000000, 0.0000420700000000, -0.0000617400000000 ] - [ 0.0004295700000000, -0.0010962200000000, -0.0006519200000000 ] - [ -0.0000844300000000, -0.0000362200000000, -0.0001399300000000 ] - [ -0.0018665200000000, 0.0001766600000000, 0.0016672100000000 ] - [ -0.0000128000000000, 0.0000059500000000, -0.0002133900000000 ] - [ -0.0019218300000000, 0.0004551100000000, -0.0004474900000000 ] - [ 0.0000062100000000, 0.0000525900000000, -0.0001067300000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015279600000000, 0.0009444700000000, 0.0004282900000000 ] - [ 0.0000143300000000, 0.0000161000000000, -0.0001415000000000 ] - [ -0.0064159800000000, 0.0033979300000000, 0.0006597800000000 ] - [ 0.0000005500000000, 0.0000108200000000, -0.0001244400000000 ] - [ -0.0018124700000000, 0.0001449800000000, 0.0004293100000000 ] - [ -0.0000388600000000, 0.0000539800000000, -0.0000970800000000 ] - [ 0.0692856100000000, -0.0549474900000000, 0.0231941400000000 ] - [ 0.0000395900000000, -0.0000499300000000, -0.0002498000000000 ] - [ -0.0014191500000000, 0.0036837600000000, -0.0031814300000000 ] - [ -0.0000636800000000, 0.0000125300000000, -0.0002108900000000 ] - [ 0.0038137000000000, -0.0007158000000000, 0.0013959900000000 ] - [ 0.0000284600000000, 0.0000405000000000, -0.0001893000000000 ] - [ -0.0038968400000000, -0.0022744600000000, 0.0006066400000000 ] - [ -0.0000201800000000, 0.0000416500000000, -0.0001061200000000 ] - [ 0.0015203200000000, -0.0001112900000000, 0.0002544800000000 ] - [ -0.0000493100000000, -0.0000297800000000, -0.0001077800000000 ] - [ 0.0004727400000000, -0.0022368100000000, 0.0003251800000000 ] - [ 0.0000424700000000, -0.0000328800000000, -0.0001254200000000 ] - [ -0.0006175500000000, -0.0011405400000000, -0.0010199100000000 ] - [ 0.0001392400000000, 0.0001565200000000, 0.0002128700000000 ] - [ 0.0010223700000000, -0.0010977400000000, 0.0004038700000000 ] - [ 0.0000021000000000, -0.0000120800000000, 0.0000048400000000 ] - [ 0.0003722400000000, 0.0009262200000000, 0.0000978900000000 ] - [ -0.0001694900000000, 0.0000153000000000, -0.0001350000000000 ] - [ 0.0049750100000000, -0.0024576400000000, 0.0021787700000000 ] - [ 0.0002232500000000, -0.0000460000000000, -0.0000862000000000 ] - [ 0.0038530000000000, 0.0069038100000000, -0.0069610300000000 ] - [ -0.0000354600000000, -0.0000179400000000, -0.0002311400000000 ] - [ -0.0001769500000000, 0.0001995400000000, -0.0016390800000000 ] - [ -0.0001246900000000, -0.0003148100000000, 0.0000578900000000 ] - [ -0.0017809500000000, -0.0000981000000000, -0.0001643100000000 ] - [ -0.0001735300000000, 0.0000007400000000, -0.0000168900000000 ] - [ -0.0008596200000000, 0.0007247300000000, -0.0000512000000000 ] - [ 0.0001741800000000, 0.0002861000000000, -0.0001328900000000 ] - [ -0.0021998600000000, 0.0006832800000000, -0.0015989500000000 ] - [ 0.0000740300000000, -0.0000737500000000, -0.0000201500000000 ] - [ -0.0001210700000000, 0.0013416500000000, 0.0005838300000000 ] - [ -0.0000357900000000, 0.0001009900000000, -0.0002324900000000 ] - [ -0.0019422500000000, -0.0000602300000000, 0.0002468000000000 ] - [ -0.0001147800000000, -0.0000439000000000, -0.0002201700000000 ] - [ -0.0009015100000000, 0.0004406900000000, 0.0015934600000000 ] - [ 0.0000055700000000, 0.0000031400000000, -0.0002253300000000 ] - [ 0.0002869400000000, 0.0006534600000000, 0.0009261600000000 ] - [ 0.0002743200000000, 0.0000954600000000, -0.0009908600000000 ] - [ -0.0002816300000000, 0.0000067100000000, 0.0002074900000000 ] - [ -0.0000214600000000, -0.0000930600000000, 0.0000017200000000 ] - [ 0.0001717000000000, -0.0000395600000000, 0.0002540100000000 ] - [ 0.0002719800000000, -0.0000694600000000, -0.0001493000000000 ] - [ -0.0008039200000000, -0.0002437000000000, 0.0005539200000000 ] - [ -0.0000154200000000, -0.0001199400000000, -0.0002590000000000 ] - [ 0.0009803000000000, -0.0009586400000000, -0.0000494800000000 ] - [ 0.0013066100000000, -0.0018554500000000, -0.0009256600000000 ] - [ 0.0014160100000000, 0.0014837600000000, 0.0025772500000000 ] - [ 0.0004954100000000, 0.0003373400000000, -0.0006663900000000 ] - [ -0.0031767700000000, -0.0003447100000000, -0.0012875400000000 ] - [ -0.0000213700000000, 0.0001808200000000, 0.0003211000000000 ] - [ 0.0027840700000000, 0.0003746000000000, -0.0002101200000000 ] - [ 0.0001399700000000, -0.0000500100000000, 0.0001038400000000 ] - [ -0.0013933700000000, -0.0007902400000000, -0.0006654500000000 ] - [ -0.0000907900000000, -0.0001534900000000, -0.0000200200000000 ] - [ 0.0021701400000000, -0.0001704500000000, 0.0001338800000000 ] - [ 0.0001742900000000, -0.0000384200000000, 0.0001323600000000 ] - [ -0.0048450200000000, 0.0016324300000000, -0.0027114900000000 ] - [ -0.0000063500000000, 0.0001916700000000, 0.0001693300000000 ] - [ -0.0003168300000000, 0.0000421100000000, 0.0001811200000000 ] - [ -0.0001906200000000, -0.0001091800000000, 0.0001819900000000 ] - [ 0.0003255000000000, -0.0001206100000000, 0.0010729100000000 ] - [ 0.0001159000000000, -0.0001669500000000, -0.0007244600000000 ] - [ -0.0076821900000000, 0.0076868300000000, 0.0074404200000000 ] - [ 0.0000795500000000, -0.0000153300000000, 0.0006704800000000 ] - [ -0.0000396500000000, 0.0003577200000000, -0.0007863300000000 ] - [ -0.0000293300000000, -0.0000380700000000, 0.0006579200000000 ] - [ 0.0007020500000000, -0.0008975600000000, 0.0002164800000000 ] - [ 0.0009698500000000, -0.0010823000000000, 0.0010492200000000 ] - [ -0.0000046800000000, 0.0006185100000000, -0.0002749200000000 ] - [ 0.0001761800000000, 0.0006166700000000, 0.0001813800000000 ] - [ -0.0005581100000000, 0.0004821000000000, 0.0009893400000000 ] - [ -0.0006260600000000, 0.0001650600000000, -0.0004809200000000 ] - [ 0.0009988600000000, -0.0022253500000000, -0.0012141100000000 ] - [ 0.0000380200000000, -0.0000739600000000, 0.0001471100000000 ] - [ 0.0035646000000000, 0.0030422000000000, 0.0004273900000000 ] - [ 0.0000499800000000, 0.0000605100000000, 0.0000873700000000 ] - [ -0.0023445500000000, 0.0003523700000000, -0.0001032700000000 ] - [ -0.0000931200000000, 0.0000144600000000, 0.0000886400000000 ] - [ -0.0023677800000000, 0.0015362400000000, 0.0010434100000000 ] - [ 0.0000270200000000, 0.0005603700000000, -0.0005612400000000 ] - [ -0.0002153900000000, 0.0003429100000000, 0.0003546400000000 ] - [ -0.0001143400000000, -0.0002329900000000, -0.0001045300000000 ] - [ -0.0572929200000000, 0.0342731100000000, -0.0232751700000000 ] - [ 0.0000046300000000, -0.0000430100000000, 0.0001349300000000 ] - [ -0.0004255400000000, 0.0011164500000000, 0.0005832900000000 ] - [ 0.0000810000000000, 0.0000381200000000, 0.0000662300000000 ] - [ 0.0018592600000000, -0.0001767500000000, -0.0017298000000000 ] - [ 0.0000118000000000, -0.0000041800000000, 0.0001619700000000 ] - [ 0.0019243500000000, -0.0004636400000000, 0.0005082900000000 ] - [ -0.0000038600000000, -0.0000532300000000, 0.0001589100000000 ]- atom: 7 displacement: [ -0.0049999999973645, 0.0086602540393660, 0.0000000000000000 ] forces: - [ -0.0001509200000000, -0.0004483600000000, 0.0007411400000000 ] - [ 0.0000189300000000, 0.0000151500000000, -0.0002828600000000 ] - [ -0.0075696300000000, 0.0023138000000000, 0.0014685100000000 ] - [ 0.0000237100000000, 0.0000200400000000, -0.0002431800000000 ] - [ -0.0001235400000000, 0.0006652600000000, 0.0005453800000000 ] - [ -0.0000407300000000, 0.0000481500000000, -0.0002045200000000 ] - [ 0.0815594300000000, -0.1249156700000000, 0.0413066300000000 ] - [ 0.0000501300000000, -0.0000663500000000, -0.0004265300000000 ] - [ -0.0017519500000000, -0.0004455900000000, -0.0012428900000000 ] - [ -0.0000802100000000, 0.0000039200000000, -0.0003493500000000 ] - [ 0.0003059900000000, 0.0018401500000000, -0.0017924200000000 ] - [ 0.0000289000000000, 0.0000740700000000, -0.0003432400000000 ] - [ -0.0008863000000000, 0.0005196200000000, 0.0006854300000000 ] - [ -0.0000497900000000, 0.0000971400000000, -0.0002704300000000 ] - [ 0.0006809100000000, 0.0076871300000000, 0.0012529400000000 ] - [ -0.0000624300000000, -0.0000386200000000, -0.0002854000000000 ] - [ 0.0008447500000000, -0.0000743200000000, 0.0006883800000000 ] - [ 0.0000388100000000, -0.0000409900000000, -0.0003073200000000 ] - [ 0.0006838000000000, 0.0006660900000000, -0.0010594800000000 ] - [ 0.0001967300000000, 0.0002667600000000, 0.0001920800000000 ] - [ 0.0009724500000000, 0.0012827000000000, -0.0004456100000000 ] - [ -0.0000149600000000, -0.0000002000000000, -0.0000711700000000 ] - [ 0.0005589400000000, 0.0018496500000000, 0.0001781100000000 ] - [ -0.0003352900000000, 0.0000281100000000, -0.0003029300000000 ] - [ 0.0037729000000000, -0.0019124300000000, 0.0004753000000000 ] - [ 0.0004332000000000, -0.0000277000000000, -0.0000060900000000 ] - [ -0.0038964800000000, 0.0041017700000000, -0.0111438400000000 ] - [ 0.0000501600000000, -0.0000499300000000, -0.0004278500000000 ] - [ 0.0005574300000000, -0.0048130200000000, 0.0008246300000000 ] - [ -0.0001185400000000, -0.0004074200000000, -0.0000307500000000 ] - [ -0.0011186300000000, -0.0001564300000000, -0.0009588200000000 ] - [ -0.0002296500000000, -0.0000265600000000, -0.0000508000000000 ] - [ -0.0024954700000000, 0.0013175700000000, 0.0000250500000000 ] - [ 0.0002667900000000, 0.0005015000000000, -0.0002681100000000 ] - [ -0.0018226500000000, -0.0007403200000000, -0.0007542700000000 ] - [ 0.0001398500000000, -0.0001912200000000, -0.0000668300000000 ] - [ -0.0005334000000000, 0.0020936800000000, 0.0007970700000000 ] - [ -0.0001126100000000, 0.0000740700000000, -0.0003957000000000 ] - [ -0.0016141500000000, -0.0002203100000000, 0.0015079200000000 ] - [ -0.0000329700000000, -0.0000756200000000, -0.0003817700000000 ] - [ -0.0009536700000000, -0.0009696800000000, 0.0007761300000000 ] - [ -0.0000047000000000, -0.0000124200000000, -0.0003788000000000 ] - [ 0.0002217500000000, 0.0008398300000000, 0.0013277200000000 ] - [ 0.0007216300000000, 0.0005673100000000, -0.0017639800000000 ] - [ -0.0005505700000000, 0.0002074800000000, 0.0002954500000000 ] - [ -0.0002998100000000, 0.0004643100000000, -0.0004574100000000 ] - [ 0.0003533200000000, -0.0000249400000000, 0.0004199100000000 ] - [ 0.0004862300000000, -0.0000204700000000, -0.0003889700000000 ] - [ -0.0022196700000000, -0.0009736000000000, 0.0026785100000000 ] - [ -0.0003899700000000, -0.0004411600000000, -0.0007545400000000 ] - [ 0.0012951200000000, -0.0019596700000000, -0.0002618700000000 ] - [ 0.0022319200000000, -0.0030361900000000, -0.0014086900000000 ] - [ 0.0015186300000000, 0.0017424200000000, 0.0025491500000000 ] - [ 0.0004482700000000, 0.0001853000000000, -0.0007029700000000 ] - [ -0.0008576300000000, 0.0023034000000000, -0.0025464800000000 ] - [ -0.0000003400000000, 0.0003200200000000, 0.0006002600000000 ] - [ 0.0031435900000000, 0.0017002600000000, -0.0005340300000000 ] - [ 0.0002781000000000, -0.0001096700000000, 0.0001428300000000 ] - [ -0.0022382200000000, -0.0024768900000000, -0.0006384100000000 ] - [ -0.0001510000000000, -0.0002148300000000, 0.0001480500000000 ] - [ 0.0017987300000000, -0.0000903200000000, -0.0001191900000000 ] - [ 0.0003108700000000, -0.0000391000000000, 0.0003345700000000 ] - [ -0.0030077200000000, 0.0052871200000000, -0.0040957400000000 ] - [ -0.0000297200000000, 0.0002962900000000, 0.0003140400000000 ] - [ -0.0008662700000000, -0.0014756700000000, -0.0001420000000000 ] - [ -0.0002573700000000, -0.0001778200000000, 0.0002894800000000 ] - [ 0.0004984800000000, 0.0000512800000000, 0.0015354200000000 ] - [ 0.0001935700000000, -0.0001569700000000, -0.0010464900000000 ] - [ -0.0105331600000000, 0.0154452400000000, 0.0133402000000000 ] - [ 0.0000543300000000, -0.0000805500000000, 0.0012829100000000 ] - [ -0.0002015200000000, -0.0008632500000000, -0.0017909400000000 ] - [ -0.0000382900000000, -0.0000329800000000, 0.0011911600000000 ] - [ 0.0011174400000000, -0.0015961800000000, 0.0004758100000000 ] - [ 0.0013612800000000, -0.0019845100000000, 0.0017586800000000 ] - [ -0.0004157700000000, 0.0010851900000000, 0.0006553000000000 ] - [ 0.0003281000000000, 0.0009379900000000, -0.0002242500000000 ] - [ -0.0009078500000000, 0.0002691600000000, 0.0006022500000000 ] - [ -0.0009959200000000, 0.0000720500000000, -0.0001673200000000 ] - [ 0.0023808700000000, -0.0040228600000000, -0.0023016200000000 ] - [ 0.0000476800000000, -0.0000966100000000, 0.0002941600000000 ] - [ -0.0026581500000000, 0.0020348200000000, -0.0006332400000000 ] - [ 0.0000599400000000, 0.0001038300000000, 0.0001969800000000 ] - [ 0.0002009600000000, 0.0037416400000000, -0.0009517300000000 ] - [ -0.0001229500000000, 0.0000062500000000, 0.0001856700000000 ] - [ -0.0023949900000000, 0.0036049500000000, 0.0016684500000000 ] - [ -0.0005171700000000, 0.0006203100000000, -0.0008326200000000 ] - [ -0.0002134800000000, -0.0006007300000000, 0.0008227000000000 ] - [ -0.0000656000000000, -0.0003021700000000, -0.0001380200000000 ] - [ -0.0581471400000000, 0.0888515500000000, -0.0408259500000000 ] - [ 0.0000519300000000, -0.0000583700000000, 0.0002663600000000 ] - [ -0.0013693400000000, -0.0006268200000000, 0.0013565400000000 ] - [ 0.0001320400000000, 0.0000275000000000, 0.0002209600000000 ] - [ 0.0013547000000000, 0.0004938700000000, -0.0024051600000000 ] - [ 0.0000129600000000, 0.0000067500000000, 0.0003201300000000 ] - [ 0.0016828600000000, 0.0004548000000000, 0.0005799500000000 ] - [ -0.0000208100000000, -0.0000917400000000, 0.0003042800000000 ]- atom: 7 displacement: [ 0.0049999999973645, -0.0086602540393660, 0.0000000000000000 ] forces: - [ 0.0001743400000000, 0.0004842700000000, -0.0007424400000000 ] - [ 0.0000064300000000, 0.0000289300000000, 0.0002835200000000 ] - [ 0.0074423100000000, -0.0022931400000000, -0.0014535200000000 ] - [ -0.0000740900000000, -0.0000190200000000, 0.0002442000000000 ] - [ 0.0001391200000000, -0.0007117400000000, -0.0005474400000000 ] - [ 0.0000673300000000, -0.0000924000000000, 0.0002042700000000 ] - [ -0.0842010100000000, 0.1284274100000000, -0.0439392200000000 ] - [ -0.0000880700000000, 0.0000579000000000, 0.0003314100000000 ] - [ 0.0017606400000000, 0.0005068600000000, 0.0011445300000000 ] - [ 0.0000905600000000, 0.0000338800000000, 0.0002547700000000 ] - [ -0.0002914200000000, -0.0018711000000000, 0.0017071100000000 ] - [ -0.0000039400000000, -0.0001041000000000, 0.0002476300000000 ] - [ 0.0009340200000000, -0.0004753700000000, -0.0005955800000000 ] - [ 0.0000770400000000, -0.0000684100000000, 0.0003656000000000 ] - [ -0.0006993000000000, -0.0076154500000000, -0.0011468700000000 ] - [ 0.0000239900000000, 0.0000450900000000, 0.0003817500000000 ] - [ -0.0008263600000000, 0.0000378700000000, -0.0005934700000000 ] - [ -0.0000247700000000, 0.0000039000000000, 0.0004033600000000 ] - [ -0.0007141200000000, -0.0007455100000000, 0.0012103000000000 ] - [ -0.0002341300000000, -0.0003569100000000, -0.0000413000000000 ] - [ -0.0010234700000000, -0.0012067400000000, 0.0006008800000000 ] - [ -0.0000424900000000, 0.0000776900000000, 0.0002207600000000 ] - [ -0.0004544400000000, -0.0018319300000000, -0.0000238900000000 ] - [ 0.0004373200000000, -0.0000168800000000, 0.0004531000000000 ] - [ -0.0037472800000000, 0.0019449100000000, -0.0006777400000000 ] - [ -0.0003363000000000, 0.0000168200000000, -0.0001429100000000 ] - [ 0.0039053600000000, -0.0040593000000000, 0.0112656200000000 ] - [ -0.0000923500000000, 0.0001445800000000, 0.0002792000000000 ] - [ -0.0006361200000000, 0.0048214500000000, -0.0010343200000000 ] - [ 0.0000601200000000, 0.0003311900000000, -0.0001185900000000 ] - [ 0.0010746600000000, 0.0001881300000000, 0.0008665900000000 ] - [ 0.0001960500000000, 0.0000598700000000, -0.0000422600000000 ] - [ 0.0025294100000000, -0.0013046200000000, -0.0001088800000000 ] - [ -0.0002230900000000, -0.0004918900000000, 0.0001774300000000 ] - [ 0.0018132800000000, 0.0006822000000000, 0.0006693700000000 ] - [ -0.0001548200000000, 0.0001449000000000, -0.0000252900000000 ] - [ 0.0005218400000000, -0.0020538800000000, -0.0007081700000000 ] - [ 0.0000991800000000, -0.0000298200000000, 0.0004875300000000 ] - [ 0.0015698400000000, 0.0001838200000000, -0.0014140400000000 ] - [ -0.0000000300000000, 0.0000402600000000, 0.0004742400000000 ] - [ 0.0010033900000000, 0.0009536400000000, -0.0006924800000000 ] - [ 0.0000520200000000, -0.0000014300000000, 0.0004724600000000 ] - [ -0.0001578700000000, -0.0007658900000000, -0.0011398300000000 ] - [ -0.0006467200000000, -0.0004849000000000, 0.0019426800000000 ] - [ 0.0005874900000000, -0.0002969000000000, -0.0001063200000000 ] - [ 0.0003363100000000, -0.0005556700000000, 0.0006490800000000 ] - [ -0.0004476700000000, 0.0000409100000000, -0.0002313300000000 ] - [ -0.0005795200000000, 0.0000370100000000, 0.0005786400000000 ] - [ 0.0021381500000000, 0.0009659500000000, -0.0028831700000000 ] - [ 0.0002865800000000, 0.0004299500000000, 0.0005648500000000 ] - [ -0.0012343100000000, 0.0018838200000000, 0.0000802200000000 ] - [ -0.0021813700000000, 0.0029769500000000, 0.0012256700000000 ] - [ -0.0014959900000000, -0.0016617000000000, -0.0027500100000000 ] - [ -0.0004151600000000, -0.0000846400000000, 0.0005122100000000 ] - [ 0.0009096100000000, -0.0022451000000000, 0.0026986600000000 ] - [ 0.0001143400000000, -0.0003421800000000, -0.0006069200000000 ] - [ -0.0032301100000000, -0.0017988500000000, 0.0005325500000000 ] - [ -0.0003542800000000, 0.0000226800000000, -0.0001499700000000 ] - [ 0.0022162200000000, 0.0025897000000000, 0.0006370100000000 ] - [ 0.0001151600000000, 0.0003235300000000, -0.0001552500000000 ] - [ -0.0018341900000000, -0.0000218900000000, 0.0001177800000000 ] - [ -0.0003474600000000, -0.0000719900000000, -0.0003282700000000 ] - [ 0.0029591700000000, -0.0049446200000000, 0.0037396700000000 ] - [ 0.0001427000000000, -0.0002724200000000, -0.0003105200000000 ] - [ 0.0007908300000000, 0.0015606900000000, 0.0001422400000000 ] - [ 0.0001796300000000, 0.0002638700000000, -0.0002825900000000 ] - [ -0.0004941300000000, -0.0000495700000000, -0.0015361400000000 ] - [ -0.0001916800000000, 0.0001574400000000, 0.0010479400000000 ] - [ 0.0107491200000000, -0.0157405800000000, -0.0143029700000000 ] - [ -0.0000535200000000, 0.0000808500000000, -0.0016123800000000 ] - [ 0.0001965100000000, 0.0008619900000000, 0.0021249700000000 ] - [ 0.0000371700000000, 0.0000332000000000, -0.0008645400000000 ] - [ -0.0010794100000000, 0.0016517700000000, -0.0004715600000000 ] - [ -0.0013285000000000, 0.0020514300000000, -0.0017693600000000 ] - [ 0.0003452700000000, -0.0010836300000000, -0.0006604800000000 ] - [ -0.0004009400000000, -0.0009363900000000, 0.0002280200000000 ] - [ 0.0009404800000000, -0.0003338200000000, -0.0006087100000000 ] - [ 0.0010300100000000, -0.0001324900000000, 0.0001720400000000 ] - [ -0.0023854200000000, 0.0040113600000000, 0.0023109300000000 ] - [ -0.0000531300000000, 0.0000847600000000, -0.0002952200000000 ] - [ 0.0027221800000000, -0.0019997900000000, 0.0006371400000000 ] - [ -0.0000477800000000, -0.0001041200000000, -0.0001971700000000 ] - [ -0.0002527000000000, -0.0037428400000000, 0.0009482300000000 ] - [ 0.0001161600000000, 0.0000043000000000, -0.0001861400000000 ] - [ 0.0024486900000000, -0.0036810300000000, -0.0016016900000000 ] - [ 0.0005252700000000, -0.0006290800000000, 0.0009099700000000 ] - [ 0.0002024500000000, 0.0005974600000000, -0.0008920300000000 ] - [ 0.0000610100000000, 0.0003046800000000, 0.0000741300000000 ] - [ 0.0607940300000000, -0.0926364800000000, 0.0440849400000000 ] - [ -0.0000473300000000, 0.0000565100000000, -0.0001936600000000 ] - [ 0.0013552800000000, 0.0006284000000000, -0.0014226900000000 ] - [ -0.0001354400000000, -0.0000249100000000, -0.0002963600000000 ] - [ -0.0013518300000000, -0.0004833600000000, 0.0023485200000000 ] - [ -0.0000144200000000, -0.0000051100000000, -0.0003737800000000 ] - [ -0.0016728500000000, -0.0004465800000000, -0.0005236400000000 ] - [ 0.0000232400000000, 0.0000914100000000, -0.0002525900000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001033700000000, 0.0000869800000000, -0.0016287000000000 ] - [ -0.0000744500000000, -0.0000489700000000, 0.0008494200000000 ] - [ 0.0006049900000000, 0.0001772300000000, -0.0032969900000000 ] - [ -0.0000214800000000, -0.0000359500000000, 0.0007986800000000 ] - [ 0.0001006600000000, -0.0001431200000000, -0.0014993300000000 ] - [ 0.0000166000000000, 0.0000512800000000, 0.0007875700000000 ] - [ -0.0242877300000000, 0.0364489300000000, -0.0910870600000000 ] - [ 0.0001817200000000, -0.0003238900000000, 0.0011915100000000 ] - [ -0.0017516200000000, 0.0027296100000000, -0.0075134700000000 ] - [ -0.0002885900000000, 0.0000268000000000, 0.0011683400000000 ] - [ -0.0019658900000000, 0.0025131600000000, -0.0075145300000000 ] - [ 0.0001504900000000, 0.0002521000000000, 0.0011677800000000 ] - [ 0.0001045600000000, -0.0006673100000000, -0.0011177000000000 ] - [ -0.0001510900000000, 0.0002865600000000, 0.0009318300000000 ] - [ 0.0001937600000000, 0.0012427900000000, -0.0034989300000000 ] - [ -0.0001746000000000, -0.0002924900000000, 0.0009715900000000 ] - [ -0.0006297100000000, -0.0000690700000000, -0.0012466600000000 ] - [ 0.0003618200000000, -0.0000130800000000, 0.0009653000000000 ] - [ 0.0002903600000000, 0.0001500400000000, -0.0011749200000000 ] - [ 0.0001494000000000, 0.0002378100000000, 0.0012026800000000 ] - [ -0.0006452900000000, -0.0017585300000000, -0.0004696400000000 ] - [ -0.0000111500000000, 0.0001169400000000, 0.0008758300000000 ] - [ -0.0008478500000000, -0.0014580800000000, -0.0008394200000000 ] - [ 0.0003779900000000, -0.0000052200000000, 0.0010332500000000 ] - [ 0.0010329700000000, -0.0017846900000000, 0.0005768800000000 ] - [ 0.0004222700000000, 0.0000072200000000, 0.0011754300000000 ] - [ 0.0088953400000000, -0.0122348400000000, 0.0047729600000000 ] - [ -0.0003427500000000, 0.0005268600000000, 0.0013612900000000 ] - [ 0.0017910800000000, -0.0019998100000000, 0.0010735700000000 ] - [ -0.0001945400000000, -0.0003723500000000, 0.0011950800000000 ] - [ -0.0006153900000000, -0.0001562700000000, -0.0009433000000000 ] - [ 0.0003411200000000, 0.0000692200000000, 0.0007223100000000 ] - [ 0.0025736500000000, -0.0002662800000000, -0.0009206300000000 ] - [ -0.0003090500000000, -0.0005694500000000, 0.0009140500000000 ] - [ 0.0024949300000000, -0.0002438900000000, -0.0004820600000000 ] - [ -0.0003208400000000, 0.0003122400000000, 0.0007519000000000 ] - [ -0.0018622800000000, -0.0006517900000000, -0.0009513400000000 ] - [ 0.0001924900000000, 0.0004155500000000, 0.0007877700000000 ] - [ 0.0007322400000000, 0.0001491000000000, -0.0008374500000000 ] - [ -0.0004407300000000, -0.0000604400000000, 0.0007755100000000 ] - [ -0.0015897500000000, -0.0000252300000000, -0.0003561000000000 ] - [ 0.0002511500000000, -0.0003343800000000, 0.0007579800000000 ] - [ 0.0011776200000000, 0.0015437100000000, 0.0012835000000000 ] - [ -0.0008494500000000, -0.0008956400000000, 0.0011633200000000 ] - [ 0.0004224000000000, -0.0003335500000000, 0.0003604000000000 ] - [ -0.0000332500000000, 0.0000436600000000, 0.0003307500000000 ] - [ -0.0003840200000000, -0.0000174500000000, 0.0002591300000000 ] - [ 0.0001475800000000, 0.0000190800000000, 0.0002123900000000 ] - [ -0.0026978400000000, -0.0015386300000000, 0.0039341100000000 ] - [ 0.0006213800000000, 0.0003368400000000, 0.0011242200000000 ] - [ -0.0000199100000000, 0.0000947400000000, 0.0031970900000000 ] - [ -0.0007618300000000, 0.0011296500000000, 0.0026917900000000 ] - [ 0.0023555300000000, 0.0020034200000000, 0.0041244100000000 ] - [ -0.0005596000000000, -0.0005077200000000, 0.0011292700000000 ] - [ 0.0000868300000000, 0.0006094900000000, 0.0054960200000000 ] - [ -0.0002970500000000, 0.0004150700000000, -0.0013093400000000 ] - [ -0.0022913500000000, -0.0010945200000000, 0.0011884200000000 ] - [ 0.0005788900000000, -0.0000058500000000, -0.0011900500000000 ] - [ 0.0018331600000000, 0.0017993600000000, 0.0012782900000000 ] - [ -0.0002949300000000, -0.0005084300000000, -0.0011930200000000 ] - [ 0.0009591300000000, 0.0000954700000000, 0.0013997600000000 ] - [ -0.0001351700000000, -0.0002381200000000, -0.0010983800000000 ] - [ 0.0004435600000000, -0.0000653000000000, 0.0053185100000000 ] - [ 0.0002554000000000, -0.0000942400000000, -0.0014742400000000 ] - [ -0.0006580200000000, -0.0007581000000000, 0.0012642700000000 ] - [ -0.0000686500000000, 0.0002582300000000, -0.0010689400000000 ] - [ -0.0004140600000000, -0.0000149600000000, -0.0006949100000000 ] - [ 0.0005832000000000, 0.0000939000000000, -0.0008784500000000 ] - [ -0.0101917600000000, 0.0146518300000000, 0.0167632300000000 ] - [ -0.0000634000000000, 0.0000701300000000, -0.0031911000000000 ] - [ -0.0006266200000000, -0.0005311900000000, 0.0015072400000000 ] - [ 0.0000123900000000, -0.0000021100000000, -0.0013163100000000 ] - [ 0.0008252700000000, -0.0009816700000000, -0.0010221100000000 ] - [ -0.0008971100000000, 0.0011878600000000, -0.0021552300000000 ] - [ 0.0011212300000000, 0.0012664300000000, -0.0008228300000000 ] - [ -0.0010636400000000, -0.0009260900000000, -0.0007443400000000 ] - [ -0.0015150100000000, -0.0004435300000000, -0.0007343200000000 ] - [ 0.0011602600000000, 0.0003834600000000, -0.0007848600000000 ] - [ -0.0005964000000000, 0.0011460200000000, 0.0036562200000000 ] - [ 0.0002556600000000, -0.0002289500000000, -0.0009823600000000 ] - [ 0.0003060200000000, 0.0002984400000000, 0.0039163300000000 ] - [ 0.0000461700000000, 0.0003140100000000, -0.0009120500000000 ] - [ -0.0015459800000000, -0.0007065700000000, 0.0039991700000000 ] - [ -0.0002965300000000, -0.0001161900000000, -0.0009515000000000 ] - [ 0.0022984200000000, -0.0028269800000000, -0.0046475300000000 ] - [ 0.0000311600000000, -0.0000014600000000, -0.0028645100000000 ] - [ 0.0003604200000000, 0.0006753300000000, 0.0004050400000000 ] - [ -0.0002874800000000, -0.0003751900000000, -0.0011070800000000 ] - [ 0.0259857900000000, -0.0379814900000000, 0.0618859800000000 ] - [ -0.0000312200000000, 0.0000258700000000, -0.0014964700000000 ] - [ -0.0000612900000000, 0.0005932600000000, 0.0018974600000000 ] - [ -0.0000411700000000, 0.0000523900000000, -0.0012231600000000 ] - [ 0.0003433100000000, -0.0002312900000000, 0.0023170500000000 ] - [ 0.0000149400000000, -0.0000313100000000, -0.0009933900000000 ] - [ -0.0004214200000000, 0.0000038400000000, 0.0023219300000000 ] - [ 0.0000402400000000, 0.0000597700000000, -0.0009990900000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000833000000000, -0.0000538600000000, 0.0016318600000000 ] - [ 0.0001008000000000, 0.0000950300000000, -0.0008532500000000 ] - [ -0.0006129000000000, -0.0001969200000000, 0.0033006700000000 ] - [ -0.0000302600000000, 0.0000373200000000, -0.0008021900000000 ] - [ -0.0000839300000000, 0.0001016200000000, 0.0015026600000000 ] - [ 0.0000102100000000, -0.0000965900000000, -0.0007917700000000 ] - [ 0.0229634700000000, -0.0346602100000000, 0.0905596800000000 ] - [ -0.0002217000000000, 0.0003183100000000, -0.0012941100000000 ] - [ 0.0017468400000000, -0.0026577600000000, 0.0074424100000000 ] - [ 0.0003018200000000, 0.0000113000000000, -0.0012701900000000 ] - [ 0.0019651000000000, -0.0025123700000000, 0.0074413900000000 ] - [ -0.0001270000000000, -0.0002846000000000, -0.0012706800000000 ] - [ -0.0000629300000000, 0.0007148900000000, 0.0012168100000000 ] - [ 0.0001781800000000, -0.0002580200000000, -0.0008401600000000 ] - [ -0.0002306900000000, -0.0012834700000000, 0.0035895100000000 ] - [ 0.0001358300000000, 0.0002989400000000, -0.0008787000000000 ] - [ 0.0006517700000000, 0.0000320700000000, 0.0013463400000000 ] - [ -0.0003491800000000, -0.0000240900000000, -0.0008729600000000 ] - [ -0.0003276800000000, -0.0002372200000000, 0.0013404500000000 ] - [ -0.0001848900000000, -0.0003242300000000, -0.0010524700000000 ] - [ 0.0005932600000000, 0.0018473700000000, 0.0006335300000000 ] - [ -0.0000465200000000, -0.0000393100000000, -0.0007309800000000 ] - [ 0.0009587000000000, 0.0014826200000000, 0.0010007100000000 ] - [ -0.0002798000000000, 0.0000165900000000, -0.0008894200000000 ] - [ -0.0009234900000000, 0.0017119900000000, -0.0006737500000000 ] - [ -0.0003291200000000, -0.0000186800000000, -0.0013314600000000 ] - [ -0.0088538500000000, 0.0122100600000000, -0.0049304900000000 ] - [ 0.0003049400000000, -0.0004387200000000, -0.0015202800000000 ] - [ -0.0017889400000000, 0.0018878800000000, -0.0011552900000000 ] - [ 0.0001387500000000, 0.0003006300000000, -0.0013516300000000 ] - [ 0.0005863500000000, 0.0001916800000000, 0.0008652900000000 ] - [ -0.0003775700000000, -0.0000360000000000, -0.0008202600000000 ] - [ -0.0025554000000000, 0.0002765200000000, 0.0008412400000000 ] - [ 0.0003551200000000, 0.0005835100000000, -0.0010114300000000 ] - [ -0.0025288700000000, 0.0001968300000000, 0.0004006700000000 ] - [ 0.0003068000000000, -0.0003599400000000, -0.0008486700000000 ] - [ 0.0018282000000000, 0.0007110000000000, 0.0010346200000000 ] - [ -0.0002067500000000, -0.0003727500000000, -0.0006983100000000 ] - [ -0.0007659300000000, -0.0001832800000000, 0.0009157900000000 ] - [ 0.0004095600000000, 0.0000253500000000, -0.0006855400000000 ] - [ 0.0016247000000000, 0.0000018200000000, 0.0004383700000000 ] - [ -0.0002058200000000, 0.0003221900000000, -0.0006669400000000 ] - [ -0.0011080200000000, -0.0014579600000000, -0.0010878400000000 ] - [ 0.0009259400000000, 0.0009831700000000, -0.0009818500000000 ] - [ -0.0003897400000000, 0.0002446200000000, -0.0001778400000000 ] - [ 0.0000701000000000, -0.0001378500000000, -0.0001376600000000 ] - [ 0.0002899800000000, 0.0000336800000000, -0.0000770800000000 ] - [ -0.0002450700000000, -0.0000026400000000, -0.0000202800000000 ] - [ 0.0026158000000000, 0.0015376200000000, -0.0041520200000000 ] - [ -0.0007217900000000, -0.0003545100000000, -0.0013221900000000 ] - [ 0.0000817500000000, -0.0001679400000000, -0.0034058100000000 ] - [ 0.0008333800000000, -0.0012169000000000, -0.0028885600000000 ] - [ -0.0023428700000000, -0.0019221400000000, -0.0043447500000000 ] - [ 0.0005959700000000, 0.0006030000000000, -0.0013275300000000 ] - [ -0.0000899100000000, -0.0004498000000000, -0.0051421400000000 ] - [ 0.0004138500000000, -0.0004413600000000, 0.0013083300000000 ] - [ 0.0022251200000000, 0.0010109300000000, -0.0011856500000000 ] - [ -0.0006602800000000, -0.0000815500000000, 0.0011873600000000 ] - [ -0.0018746500000000, -0.0016992200000000, -0.0012763200000000 ] - [ 0.0002612600000000, 0.0006219800000000, 0.0011903900000000 ] - [ -0.0010056000000000, -0.0002075600000000, -0.0014144600000000 ] - [ 0.0000992300000000, 0.0001276300000000, 0.0011099400000000 ] - [ -0.0004792700000000, 0.0003538200000000, -0.0055831000000000 ] - [ -0.0001431500000000, 0.0001193300000000, 0.0014832700000000 ] - [ 0.0005860300000000, 0.0008509200000000, -0.0012790500000000 ] - [ -0.0000096100000000, -0.0001718900000000, 0.0010804900000000 ] - [ 0.0004194200000000, 0.0000152700000000, 0.0006897500000000 ] - [ -0.0005761000000000, -0.0000939400000000, 0.0008830500000000 ] - [ 0.0105917700000000, -0.0152335100000000, -0.0176840500000000 ] - [ 0.0000643400000000, -0.0000706800000000, 0.0028800500000000 ] - [ 0.0006206300000000, 0.0005237800000000, -0.0011653900000000 ] - [ -0.0000139000000000, 0.0000024000000000, 0.0016445800000000 ] - [ -0.0007985800000000, 0.0010526300000000, 0.0010314000000000 ] - [ 0.0009407700000000, -0.0011374800000000, 0.0021645200000000 ] - [ -0.0012042300000000, -0.0012807400000000, 0.0008249000000000 ] - [ 0.0009890500000000, 0.0009307400000000, 0.0007483300000000 ] - [ 0.0015664800000000, 0.0003865800000000, 0.0007360800000000 ] - [ -0.0011293500000000, -0.0004436200000000, 0.0007893000000000 ] - [ 0.0005955300000000, -0.0011710000000000, -0.0036739100000000 ] - [ -0.0002624600000000, 0.0002192700000000, 0.0009858100000000 ] - [ -0.0002480600000000, -0.0002637900000000, -0.0039165000000000 ] - [ -0.0000354100000000, -0.0003160500000000, 0.0009157300000000 ] - [ 0.0014939700000000, 0.0007106300000000, -0.0040199400000000 ] - [ 0.0002916500000000, 0.0001266400000000, 0.0009545100000000 ] - [ -0.0022885600000000, 0.0028266500000000, 0.0046998100000000 ] - [ -0.0000278200000000, -0.0000008700000000, 0.0029442700000000 ] - [ -0.0003719500000000, -0.0006781700000000, -0.0004794400000000 ] - [ 0.0002812100000000, 0.0003711900000000, 0.0010476800000000 ] - [ -0.0249739400000000, 0.0364928000000000, -0.0608923400000000 ] - [ 0.0000358700000000, -0.0000270500000000, 0.0015774300000000 ] - [ 0.0000561000000000, -0.0006006900000000, -0.0020054100000000 ] - [ 0.0000376900000000, -0.0000498300000000, 0.0011525600000000 ] - [ -0.0003416900000000, 0.0002296900000000, -0.0023539600000000 ] - [ -0.0000163600000000, 0.0000331600000000, 0.0009441500000000 ] - [ 0.0004293800000000, -0.0000063400000000, -0.0022944000000000 ] - [ -0.0000377100000000, -0.0000605600000000, 0.0010547200000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007511600000000, -0.0003874300000000, -0.0001345800000000 ] - [ 0.0000188500000000, 0.0000666900000000, 0.0000309900000000 ] - [ 0.0004477200000000, 0.0006257900000000, 0.0001947800000000 ] - [ 0.0001772300000000, -0.0000129300000000, 0.0001431600000000 ] - [ 0.0005382500000000, -0.0008077900000000, 0.0017194600000000 ] - [ -0.0000890600000000, 0.0001725900000000, -0.0002716300000000 ] - [ 0.0005763100000000, 0.0011538500000000, 0.0002628200000000 ] - [ -0.0001784000000000, 0.0001547800000000, 0.0001196700000000 ] - [ 0.0013454000000000, -0.0000238700000000, -0.0008624800000000 ] - [ 0.0002203700000000, 0.0000323600000000, -0.0002225700000000 ] - [ 0.0020559900000000, 0.0006362200000000, 0.0018363000000000 ] - [ 0.0000138500000000, -0.0000481900000000, -0.0001251000000000 ] - [ -0.0001054300000000, -0.0003052500000000, -0.0009793400000000 ] - [ 0.0001357700000000, -0.0001159000000000, 0.0002484700000000 ] - [ -0.0038806000000000, 0.0067453800000000, -0.0088043100000000 ] - [ -0.0000043300000000, -0.0000875600000000, 0.0003739100000000 ] - [ -0.0044713400000000, -0.0029245600000000, 0.0026378200000000 ] - [ -0.0002698100000000, 0.0000445000000000, 0.0002579500000000 ] - [ -0.0898140600000000, -0.0321486200000000, 0.0002905100000000 ] - [ -0.0001327100000000, -0.0002038300000000, 0.0000917000000000 ] - [ -0.0037228700000000, -0.0010615100000000, -0.0000736600000000 ] - [ -0.0000664700000000, 0.0001047600000000, 0.0000852600000000 ] - [ 0.0052945400000000, 0.0062339800000000, 0.0000673000000000 ] - [ 0.0000997700000000, -0.0000095600000000, 0.0000818100000000 ] - [ 0.0008286700000000, 0.0003013000000000, 0.0002580900000000 ] - [ 0.0010450500000000, 0.0002749000000000, -0.0007570100000000 ] - [ 0.0000671400000000, -0.0000235900000000, -0.0000124600000000 ] - [ 0.0000561200000000, -0.0000280300000000, -0.0000664900000000 ] - [ 0.0000854400000000, 0.0007965900000000, 0.0003900300000000 ] - [ 0.0000966300000000, 0.0007245100000000, -0.0004244000000000 ] - [ -0.0004519300000000, -0.0035485700000000, -0.0001286700000000 ] - [ -0.0000235900000000, 0.0000208500000000, 0.0000096500000000 ] - [ 0.0028688000000000, -0.0011382600000000, -0.0003255100000000 ] - [ 0.0000885200000000, 0.0000410600000000, -0.0000055100000000 ] - [ -0.0017901500000000, 0.0019184800000000, 0.0003252800000000 ] - [ 0.0000392000000000, -0.0000759900000000, -0.0000462400000000 ] - [ 0.0003918600000000, 0.0000791300000000, 0.0000426400000000 ] - [ 0.0005176900000000, 0.0001327800000000, 0.0000317000000000 ] - [ -0.0002029800000000, -0.0001154000000000, 0.0001468200000000 ] - [ -0.0001999500000000, -0.0001084400000000, -0.0000899600000000 ] - [ 0.0003072400000000, 0.0002313000000000, 0.0012113700000000 ] - [ -0.0002759900000000, 0.0009898400000000, -0.0010562100000000 ] - [ 0.0000405700000000, -0.0000272000000000, -0.0002190900000000 ] - [ -0.0037141500000000, 0.0066786400000000, 0.0089136900000000 ] - [ 0.0001391600000000, -0.0002053800000000, -0.0001125100000000 ] - [ -0.0001574300000000, -0.0002980800000000, 0.0013202900000000 ] - [ -0.0003303100000000, 0.0000534500000000, -0.0001138300000000 ] - [ -0.0042781700000000, -0.0030312600000000, -0.0024214000000000 ] - [ 0.0009391400000000, -0.0000431200000000, 0.0004670100000000 ] - [ 0.0000880700000000, 0.0000013900000000, 0.0000320500000000 ] - [ 0.0007103300000000, 0.0012754200000000, -0.0003549400000000 ] - [ -0.0001148200000000, 0.0001215300000000, -0.0002225900000000 ] - [ 0.0018481800000000, 0.0006073100000000, -0.0016979800000000 ] - [ 0.0000380800000000, 0.0000033100000000, -0.0000035200000000 ] - [ -0.0009233800000000, -0.0015983100000000, 0.0004540200000000 ] - [ -0.0005542400000000, -0.0012290000000000, -0.0009054100000000 ] - [ -0.0000279200000000, 0.0003328400000000, 0.0001845800000000 ] - [ -0.0000702200000000, 0.0001924600000000, -0.0001173100000000 ] - [ 0.0000462300000000, 0.0001203000000000, -0.0006732300000000 ] - [ -0.0000206700000000, 0.0002362300000000, 0.0004551800000000 ] - [ 0.0093670100000000, -0.0038211000000000, 0.0005393100000000 ] - [ -0.0000845700000000, 0.0000516200000000, -0.0000002700000000 ] - [ -0.0010854900000000, -0.0014588700000000, -0.0000629600000000 ] - [ -0.0000298100000000, -0.0000523100000000, -0.0000186400000000 ] - [ 0.0068266100000000, -0.0016858400000000, -0.0005537200000000 ] - [ 0.0000935400000000, 0.0000314700000000, 0.0000260600000000 ] - [ -0.0000104700000000, 0.0000716600000000, 0.0009082900000000 ] - [ -0.0000552600000000, -0.0000393500000000, -0.0002078200000000 ] - [ -0.0027446200000000, -0.0013595100000000, -0.0001214300000000 ] - [ 0.0000275400000000, -0.0000092000000000, -0.0001582300000000 ] - [ 0.0009010600000000, 0.0010450900000000, 0.0017127700000000 ] - [ 0.0009030000000000, 0.0010562200000000, -0.0012371900000000 ] - [ -0.0021178600000000, 0.0006562500000000, 0.0000177800000000 ] - [ -0.0001906500000000, 0.0001151900000000, 0.0000174000000000 ] - [ 0.0016356800000000, -0.0004882600000000, 0.0004192200000000 ] - [ 0.0001655500000000, -0.0001939000000000, 0.0000237400000000 ] - [ 0.0015138300000000, -0.0003679700000000, 0.0015096500000000 ] - [ 0.0000457600000000, 0.0001325700000000, -0.0001440600000000 ] - [ -0.0023427200000000, 0.0004399600000000, -0.0002181700000000 ] - [ -0.0002146000000000, 0.0000702100000000, -0.0000510900000000 ] - [ 0.0014422300000000, 0.0001544600000000, -0.0003729700000000 ] - [ 0.0001587200000000, -0.0001406100000000, -0.0000106400000000 ] - [ 0.0017214100000000, -0.0012745200000000, -0.0023850900000000 ] - [ 0.0000246500000000, 0.0000423400000000, 0.0001209900000000 ] - [ -0.0000839500000000, -0.0000780800000000, -0.0002079400000000 ] - [ -0.0005640700000000, -0.0005331400000000, 0.0001693800000000 ] - [ 0.0405544500000000, 0.0127584500000000, 0.0133275100000000 ] - [ 0.0000209300000000, 0.0000306600000000, 0.0000053300000000 ] - [ -0.0005608900000000, -0.0005536900000000, -0.0003188000000000 ] - [ -0.0002097700000000, -0.0000699300000000, 0.0003382300000000 ] - [ 0.0404828500000000, 0.0130948400000000, -0.0128257700000000 ] - [ 0.0000163100000000, 0.0000296900000000, -0.0001046800000000 ] - [ -0.0001575300000000, 0.0004261100000000, -0.0004869100000000 ] - [ 0.0000243000000000, -0.0003550400000000, 0.0001716800000000 ] - [ 0.0000778200000000, 0.0007551000000000, -0.0013233800000000 ] - [ -0.0000950100000000, 0.0000225300000000, 0.0000460800000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007744200000000, 0.0004308900000000, 0.0001425800000000 ] - [ 0.0000077500000000, -0.0000203600000000, -0.0000302200000000 ] - [ -0.0004847600000000, -0.0006173800000000, -0.0001882800000000 ] - [ -0.0002268200000000, 0.0000142400000000, -0.0001424800000000 ] - [ -0.0005019000000000, 0.0007519400000000, -0.0017032400000000 ] - [ 0.0001150400000000, -0.0002148300000000, 0.0002674100000000 ] - [ -0.0006128500000000, -0.0011473000000000, -0.0003548000000000 ] - [ 0.0001385100000000, -0.0001601300000000, -0.0002145000000000 ] - [ -0.0013362400000000, 0.0000586500000000, 0.0007810000000000 ] - [ -0.0002047500000000, 0.0000057000000000, 0.0001249100000000 ] - [ -0.0020087000000000, -0.0006586400000000, -0.0019057800000000 ] - [ 0.0000106700000000, 0.0000160300000000, 0.0000277300000000 ] - [ 0.0001388800000000, 0.0003202200000000, 0.0010707500000000 ] - [ -0.0001070800000000, 0.0001430400000000, -0.0001497500000000 ] - [ 0.0039376900000000, -0.0067807500000000, 0.0089451500000000 ] - [ -0.0000335500000000, 0.0000939900000000, -0.0002740900000000 ] - [ 0.0044694900000000, 0.0028876600000000, -0.0025173500000000 ] - [ 0.0002802700000000, -0.0000807500000000, -0.0001582300000000 ] - [ 0.0906443800000000, 0.0334654400000000, -0.0001395800000000 ] - [ 0.0000932500000000, 0.0001105100000000, 0.0000580200000000 ] - [ 0.0036544300000000, 0.0011721000000000, 0.0002256100000000 ] - [ 0.0000084600000000, -0.0000258400000000, 0.0000643500000000 ] - [ -0.0054462800000000, -0.0064618100000000, 0.0000853500000000 ] - [ 0.0000005300000000, 0.0000202800000000, 0.0000674400000000 ] - [ -0.0007323800000000, -0.0003106400000000, -0.0004014800000000 ] - [ -0.0009438800000000, -0.0002845700000000, 0.0005992200000000 ] - [ -0.0001045700000000, 0.0001117900000000, -0.0001360100000000 ] - [ -0.0000948800000000, 0.0001188900000000, -0.0000829900000000 ] - [ -0.0001406000000000, -0.0008652300000000, -0.0005324900000000 ] - [ -0.0001505400000000, -0.0007918500000000, 0.0002693300000000 ] - [ 0.0004214500000000, 0.0035706900000000, 0.0000284600000000 ] - [ -0.0000109600000000, 0.0000125600000000, -0.0001024400000000 ] - [ -0.0027879600000000, 0.0011329900000000, 0.0002288000000000 ] - [ -0.0000415600000000, -0.0000289500000000, -0.0000862800000000 ] - [ 0.0017706000000000, -0.0019860600000000, -0.0004128600000000 ] - [ -0.0000527700000000, 0.0000289900000000, -0.0000459300000000 ] - [ -0.0003995000000000, -0.0000307600000000, 0.0000499900000000 ] - [ -0.0005232500000000, -0.0000847300000000, 0.0000620100000000 ] - [ 0.0001681100000000, 0.0000783600000000, -0.0000543700000000 ] - [ 0.0001651600000000, 0.0000722400000000, 0.0001810200000000 ] - [ -0.0002616900000000, -0.0002433200000000, -0.0011072100000000 ] - [ 0.0003184100000000, -0.0009963000000000, 0.0011395600000000 ] - [ 0.0000227000000000, 0.0001021200000000, 0.0004036800000000 ] - [ 0.0038585600000000, -0.0066461700000000, -0.0087751700000000 ] - [ -0.0001024300000000, 0.0001114800000000, 0.0002975600000000 ] - [ 0.0001981900000000, 0.0001975100000000, -0.0011258500000000 ] - [ 0.0002301700000000, -0.0000367600000000, 0.0002985600000000 ] - [ 0.0041700900000000, 0.0030384800000000, 0.0025807100000000 ] - [ -0.0010370800000000, 0.0000239100000000, -0.0006673700000000 ] - [ -0.0001811900000000, -0.0000173700000000, -0.0002196900000000 ] - [ -0.0006438200000000, -0.0013361100000000, 0.0001634300000000 ] - [ 0.0001761000000000, -0.0001948100000000, 0.0000330400000000 ] - [ -0.0017956100000000, -0.0005087100000000, 0.0014871200000000 ] - [ -0.0000033800000000, 0.0000879000000000, -0.0001850500000000 ] - [ 0.0010276700000000, 0.0015508500000000, -0.0004475200000000 ] - [ 0.0006643500000000, 0.0011869800000000, 0.0008863100000000 ] - [ -0.0000534300000000, -0.0004109500000000, -0.0001887100000000 ] - [ -0.0000100800000000, -0.0002739800000000, 0.0001080200000000 ] - [ -0.0000776000000000, -0.0000096000000000, 0.0006605200000000 ] - [ -0.0000135400000000, -0.0001236900000000, -0.0004570700000000 ] - [ -0.0098106000000000, 0.0040147100000000, -0.0005204200000000 ] - [ 0.0000465100000000, -0.0001602400000000, 0.0000063600000000 ] - [ 0.0011780500000000, 0.0014617200000000, 0.0000682800000000 ] - [ 0.0001420200000000, 0.0000747700000000, 0.0000251900000000 ] - [ -0.0065369400000000, 0.0015137600000000, 0.0005627300000000 ] - [ -0.0001683700000000, 0.0000552500000000, -0.0000195100000000 ] - [ 0.0000033000000000, -0.0000697600000000, -0.0008951600000000 ] - [ 0.0000553200000000, 0.0000383100000000, 0.0002055800000000 ] - [ 0.0027283600000000, 0.0013435700000000, -0.0002029800000000 ] - [ -0.0000258500000000, 0.0000087000000000, -0.0001686600000000 ] - [ -0.0008946500000000, -0.0010384200000000, -0.0013451900000000 ] - [ -0.0008964300000000, -0.0010502800000000, 0.0015281300000000 ] - [ 0.0021213400000000, -0.0005830200000000, -0.0000115000000000 ] - [ 0.0002235600000000, -0.0000524600000000, -0.0000167100000000 ] - [ -0.0016857100000000, 0.0004717700000000, -0.0004174800000000 ] - [ -0.0002346900000000, 0.0001901900000000, -0.0000249600000000 ] - [ -0.0014427800000000, 0.0003325400000000, -0.0015456400000000 ] - [ -0.0000085700000000, -0.0001907100000000, 0.0001422500000000 ] - [ 0.0023019700000000, -0.0004428700000000, 0.0002100300000000 ] - [ 0.0002065000000000, -0.0000803600000000, 0.0000501700000000 ] - [ -0.0014087800000000, -0.0001673800000000, 0.0003669300000000 ] - [ -0.0001459300000000, 0.0001379300000000, 0.0000117500000000 ] - [ -0.0016866900000000, 0.0013000900000000, 0.0023964500000000 ] - [ -0.0000288100000000, -0.0000303300000000, -0.0001183700000000 ] - [ 0.0000878900000000, 0.0000762700000000, 0.0002656900000000 ] - [ 0.0005652300000000, 0.0005254400000000, -0.0001047000000000 ] - [ -0.0409656800000000, -0.0133159600000000, -0.0138066700000000 ] - [ -0.0000253200000000, -0.0000291700000000, -0.0000671600000000 ] - [ 0.0005661700000000, 0.0005426900000000, 0.0003853400000000 ] - [ 0.0002122500000000, 0.0000692000000000, -0.0002589400000000 ] - [ -0.0409241500000000, -0.0136458000000000, 0.0131622900000000 ] - [ -0.0000200400000000, -0.0000276600000000, 0.0000298300000000 ] - [ 0.0001534600000000, -0.0004220300000000, 0.0004294100000000 ] - [ -0.0000247500000000, 0.0003525300000000, -0.0002210000000000 ] - [ -0.0000943000000000, -0.0007488100000000, 0.0013614800000000 ] - [ 0.0000974000000000, -0.0000222600000000, 0.0000063600000000 ]- atom: 19 displacement: [ -0.0049999999973645, 0.0086602540393660, 0.0000000000000000 ] forces: - [ 0.0001644300000000, 0.0012939100000000, 0.0007720900000000 ] - [ 0.0000476400000000, 0.0001287100000000, 0.0000627600000000 ] - [ 0.0004212300000000, 0.0006354100000000, 0.0001446900000000 ] - [ 0.0000754300000000, -0.0000026500000000, 0.0000975600000000 ] - [ -0.0009961200000000, 0.0014460500000000, 0.0001576700000000 ] - [ -0.0000708200000000, 0.0001335200000000, -0.0001415000000000 ] - [ 0.0006278200000000, 0.0006772400000000, -0.0000340000000000 ] - [ -0.0001161500000000, 0.0001295200000000, 0.0001129000000000 ] - [ -0.0018533300000000, -0.0000221100000000, 0.0016899100000000 ] - [ 0.0001812800000000, 0.0000352200000000, -0.0002038800000000 ] - [ 0.0000658200000000, -0.0011951800000000, -0.0006632600000000 ] - [ 0.0000293600000000, -0.0000420700000000, -0.0000303400000000 ] - [ -0.0010267900000000, -0.0046947400000000, 0.0020720300000000 ] - [ 0.0001039500000000, -0.0001793400000000, 0.0002261700000000 ] - [ 0.0078817800000000, -0.0027197900000000, -0.0060962500000000 ] - [ -0.0000833500000000, -0.0000169900000000, 0.0003065600000000 ] - [ 0.0005978900000000, 0.0004975300000000, -0.0017340600000000 ] - [ -0.0000829200000000, 0.0000412600000000, 0.0002166300000000 ] - [ 0.0169463400000000, -0.0854590700000000, 0.0017642200000000 ] - [ -0.0000993900000000, -0.0001674100000000, 0.0001132500000000 ] - [ 0.0043421200000000, 0.0067898900000000, 0.0000750800000000 ] - [ -0.0000411300000000, 0.0000597800000000, 0.0001064900000000 ] - [ -0.0006858100000000, -0.0046954200000000, -0.0000880700000000 ] - [ 0.0000998400000000, -0.0000092900000000, 0.0001092200000000 ] - [ 0.0001005600000000, 0.0001086600000000, 0.0009746500000000 ] - [ 0.0003223600000000, 0.0001310000000000, -0.0010626600000000 ] - [ -0.0000043300000000, -0.0001144200000000, 0.0000044700000000 ] - [ 0.0000054000000000, -0.0001163100000000, -0.0001107200000000 ] - [ -0.0001701800000000, 0.0000127200000000, -0.0002052200000000 ] - [ -0.0001472000000000, 0.0000385700000000, 0.0000773200000000 ] - [ -0.0000349100000000, 0.0029933000000000, -0.0002579400000000 ] - [ -0.0000189400000000, 0.0000257400000000, 0.0000138300000000 ] - [ -0.0016553000000000, 0.0015406700000000, 0.0000500200000000 ] - [ 0.0000595400000000, 0.0000223200000000, 0.0000045600000000 ] - [ 0.0000638200000000, 0.0067411500000000, 0.0000949600000000 ] - [ 0.0000050100000000, -0.0000199000000000, -0.0000184700000000 ] - [ 0.0004671300000000, 0.0003649300000000, 0.0001500000000000 ] - [ 0.0005315100000000, 0.0002316300000000, 0.0001850200000000 ] - [ -0.0001286100000000, 0.0000613800000000, 0.0000631100000000 ] - [ -0.0002182100000000, 0.0000351300000000, -0.0000225800000000 ] - [ -0.0001002900000000, 0.0005975100000000, 0.0006203200000000 ] - [ -0.0000967900000000, 0.0005719500000000, -0.0005381600000000 ] - [ -0.0000071100000000, 0.0000501900000000, -0.0001058300000000 ] - [ 0.0076048300000000, -0.0019879000000000, 0.0058637400000000 ] - [ 0.0001213800000000, -0.0002613900000000, -0.0000288100000000 ] - [ -0.0014112700000000, -0.0046055200000000, -0.0023973700000000 ] - [ -0.0001666400000000, 0.0000551000000000, -0.0000266600000000 ] - [ 0.0007519700000000, 0.0005197100000000, 0.0017876100000000 ] - [ -0.0012782500000000, -0.0000953600000000, -0.0014214900000000 ] - [ 0.0001306800000000, 0.0000214400000000, 0.0001074300000000 ] - [ 0.0006127000000000, 0.0006637700000000, -0.0002317200000000 ] - [ -0.0000558900000000, 0.0000954300000000, -0.0001559200000000 ] - [ 0.0002408800000000, -0.0009968000000000, 0.0004004400000000 ] - [ 0.0000364600000000, 0.0000060600000000, -0.0000338000000000 ] - [ -0.0004672900000000, -0.0014082700000000, 0.0003545700000000 ] - [ -0.0001643800000000, -0.0011633900000000, -0.0007027600000000 ] - [ 0.0000369700000000, 0.0000290100000000, -0.0004706000000000 ] - [ -0.0000378200000000, -0.0000225600000000, 0.0002660200000000 ] - [ 0.0001952400000000, 0.0001921200000000, 0.0001437200000000 ] - [ 0.0000903400000000, 0.0002422200000000, -0.0001548300000000 ] - [ -0.0049541300000000, 0.0045225500000000, -0.0012345800000000 ] - [ -0.0000838700000000, 0.0000125800000000, -0.0000399100000000 ] - [ -0.0010271300000000, -0.0013497000000000, 0.0001635700000000 ] - [ 0.0000046200000000, -0.0000379900000000, -0.0000470100000000 ] - [ -0.0092070700000000, 0.0065431500000000, 0.0004382900000000 ] - [ 0.0000432900000000, 0.0000435700000000, -0.0000151800000000 ] - [ 0.0000059500000000, -0.0011764600000000, 0.0007457900000000 ] - [ -0.0000258100000000, -0.0000246700000000, -0.0001595000000000 ] - [ 0.0007509000000000, 0.0005022000000000, 0.0000592200000000 ] - [ 0.0000300100000000, -0.0000010100000000, -0.0002332800000000 ] - [ 0.0003953200000000, 0.0008939600000000, 0.0011688000000000 ] - [ 0.0004496300000000, 0.0008712400000000, -0.0008648100000000 ] - [ -0.0006638300000000, 0.0015304400000000, 0.0001879100000000 ] - [ -0.0001491500000000, 0.0001387100000000, 0.0000204700000000 ] - [ 0.0008560000000000, -0.0013802400000000, -0.0000023300000000 ] - [ 0.0000720500000000, -0.0001444200000000, -0.0000098500000000 ] - [ -0.0011044700000000, 0.0017581700000000, 0.0004901500000000 ] - [ 0.0000996200000000, 0.0000954900000000, -0.0001943200000000 ] - [ -0.0008346600000000, 0.0009851500000000, -0.0000594300000000 ] - [ -0.0001409300000000, 0.0000839300000000, -0.0001132300000000 ] - [ 0.0008039800000000, -0.0014246800000000, 0.0000558100000000 ] - [ 0.0000987400000000, -0.0001027500000000, -0.0000376500000000 ] - [ -0.0009918400000000, 0.0009024200000000, -0.0014246400000000 ] - [ 0.0000447500000000, 0.0000264900000000, 0.0001170900000000 ] - [ -0.0002799000000000, -0.0001790700000000, -0.0002605900000000 ] - [ 0.0003050800000000, 0.0002640700000000, 0.0000622200000000 ] - [ -0.0088742100000000, 0.0352185900000000, 0.0109942900000000 ] - [ 0.0000110000000000, 0.0000258300000000, -0.0000344800000000 ] - [ 0.0005073000000000, 0.0002522000000000, -0.0000907200000000 ] - [ -0.0002802100000000, -0.0001338400000000, 0.0002827500000000 ] - [ -0.0082534400000000, 0.0362792700000000, -0.0106923700000000 ] - [ 0.0000152300000000, 0.0000283100000000, -0.0001215500000000 ] - [ -0.0000948500000000, -0.0007146900000000, -0.0002396400000000 ] - [ 0.0000522100000000, -0.0002658900000000, 0.0000446900000000 ] - [ 0.0007187700000000, -0.0012737200000000, -0.0012058500000000 ] - [ -0.0000414400000000, 0.0000068800000000, -0.0000022700000000 ]- atom: 19 displacement: [ 0.0049999999973645, -0.0086602540393660, 0.0000000000000000 ] forces: - [ -0.0001384200000000, -0.0012421900000000, -0.0007570600000000 ] - [ -0.0000211000000000, -0.0000826600000000, -0.0000623400000000 ] - [ -0.0004610800000000, -0.0006299400000000, -0.0001393400000000 ] - [ -0.0001240900000000, 0.0000034700000000, -0.0000954900000000 ] - [ 0.0010235600000000, -0.0014928500000000, -0.0001415100000000 ] - [ 0.0000974700000000, -0.0001779300000000, 0.0001404800000000 ] - [ -0.0006629600000000, -0.0006726600000000, -0.0000600000000000 ] - [ 0.0000758300000000, -0.0001347400000000, -0.0002067000000000 ] - [ 0.0018411800000000, 0.0000570900000000, -0.0017598400000000 ] - [ -0.0001666200000000, 0.0000028200000000, 0.0001062100000000 ] - [ -0.0000413500000000, 0.0011722400000000, 0.0005759700000000 ] - [ -0.0000048000000000, 0.0000100200000000, -0.0000657200000000 ] - [ 0.0010456600000000, 0.0047012300000000, -0.0019325400000000 ] - [ -0.0000752200000000, 0.0002056300000000, -0.0001269600000000 ] - [ -0.0079617700000000, 0.0027682500000000, 0.0061989600000000 ] - [ 0.0000445100000000, 0.0000219900000000, -0.0002060400000000 ] - [ -0.0005961200000000, -0.0005325400000000, 0.0018459900000000 ] - [ 0.0000948700000000, -0.0000774200000000, -0.0001169600000000 ] - [ -0.0164682900000000, 0.0859079300000000, -0.0016727900000000 ] - [ 0.0000598600000000, 0.0000741100000000, 0.0000375000000000 ] - [ -0.0045317300000000, -0.0069831600000000, 0.0000710400000000 ] - [ -0.0000166100000000, 0.0000180400000000, 0.0000440000000000 ] - [ 0.0008084500000000, 0.0046860200000000, 0.0002343700000000 ] - [ 0.0000004500000000, 0.0000197700000000, 0.0000410100000000 ] - [ -0.0000054100000000, -0.0001194000000000, -0.0011122000000000 ] - [ -0.0002260700000000, -0.0001410600000000, 0.0009027100000000 ] - [ -0.0000359200000000, 0.0002035600000000, -0.0001529800000000 ] - [ -0.0000466300000000, 0.0002079800000000, -0.0000379500000000 ] - [ 0.0001120700000000, -0.0000849500000000, 0.0000573800000000 ] - [ 0.0000904500000000, -0.0001093700000000, -0.0002266700000000 ] - [ 0.0000019000000000, -0.0029425400000000, 0.0001605000000000 ] - [ -0.0000155500000000, 0.0000077700000000, -0.0001054400000000 ] - [ 0.0017418700000000, -0.0015478700000000, -0.0001508300000000 ] - [ -0.0000129300000000, -0.0000106300000000, -0.0000954200000000 ] - [ -0.0000657800000000, -0.0067363500000000, -0.0001895400000000 ] - [ -0.0000188600000000, -0.0000269900000000, -0.0000725600000000 ] - [ -0.0004750700000000, -0.0003147700000000, -0.0000542000000000 ] - [ -0.0005391000000000, -0.0001846800000000, -0.0000940500000000 ] - [ 0.0000922900000000, -0.0000963900000000, 0.0000314600000000 ] - [ 0.0001818500000000, -0.0000695400000000, 0.0001127800000000 ] - [ 0.0001491400000000, -0.0006075700000000, -0.0005165900000000 ] - [ 0.0001467600000000, -0.0005851800000000, 0.0006262900000000 ] - [ 0.0000699100000000, 0.0000238800000000, 0.0002917700000000 ] - [ -0.0075796300000000, 0.0021100400000000, -0.0056769800000000 ] - [ -0.0000844100000000, 0.0001662000000000, 0.0002152600000000 ] - [ 0.0014374700000000, 0.0044995400000000, 0.0025432100000000 ] - [ 0.0000675600000000, -0.0000383000000000, 0.0002134800000000 ] - [ -0.0008580200000000, -0.0005011600000000, -0.0016132700000000 ] - [ 0.0011622300000000, 0.0000771900000000, 0.0012113500000000 ] - [ -0.0002238200000000, -0.0000372100000000, -0.0002930500000000 ] - [ -0.0005491400000000, -0.0007263000000000, 0.0000393500000000 ] - [ 0.0001168300000000, -0.0001684600000000, -0.0000329100000000 ] - [ -0.0002055600000000, 0.0010922300000000, -0.0005961300000000 ] - [ -0.0000018000000000, 0.0000853900000000, -0.0001545500000000 ] - [ 0.0005685700000000, 0.0013625600000000, -0.0003514800000000 ] - [ 0.0002718900000000, 0.0011245300000000, 0.0006816700000000 ] - [ -0.0001131800000000, -0.0001140800000000, 0.0004568700000000 ] - [ -0.0000394200000000, -0.0000639700000000, -0.0002683600000000 ] - [ -0.0002240100000000, -0.0000829500000000, -0.0001509400000000 ] - [ -0.0001221200000000, -0.0001311800000000, 0.0001469800000000 ] - [ 0.0044524600000000, -0.0043506500000000, 0.0012414400000000 ] - [ 0.0000455300000000, -0.0001218600000000, 0.0000450800000000 ] - [ 0.0011251600000000, 0.0013541200000000, -0.0001573200000000 ] - [ 0.0001075800000000, 0.0000606800000000, 0.0000524300000000 ] - [ 0.0096461800000000, -0.0067576700000000, -0.0004184900000000 ] - [ -0.0001189000000000, 0.0000431800000000, 0.0000204700000000 ] - [ -0.0000107000000000, 0.0011730300000000, -0.0007262200000000 ] - [ 0.0000256100000000, 0.0000233700000000, 0.0001546300000000 ] - [ -0.0007295800000000, -0.0005022100000000, -0.0003798900000000 ] - [ -0.0000283200000000, 0.0000003600000000, -0.0000953900000000 ] - [ -0.0003913600000000, -0.0008818100000000, -0.0008116600000000 ] - [ -0.0004453300000000, -0.0008598900000000, 0.0011602100000000 ] - [ 0.0006803700000000, -0.0014536200000000, -0.0001815400000000 ] - [ 0.0001826600000000, -0.0000761600000000, -0.0000219300000000 ] - [ -0.0009029900000000, 0.0013572700000000, 0.0000120400000000 ] - [ -0.0001406300000000, 0.0001405200000000, 0.0000089400000000 ] - [ 0.0011507400000000, -0.0017868100000000, -0.0005404500000000 ] - [ -0.0000631800000000, -0.0001540700000000, 0.0001911000000000 ] - [ 0.0008052200000000, -0.0009853400000000, 0.0000545900000000 ] - [ 0.0001337000000000, -0.0000940100000000, 0.0001122800000000 ] - [ -0.0007701300000000, 0.0014066200000000, -0.0000690800000000 ] - [ -0.0000854900000000, 0.0000997600000000, 0.0000370900000000 ] - [ 0.0010063500000000, -0.0008483200000000, 0.0014819300000000 ] - [ -0.0000500000000000, -0.0000156000000000, -0.0001158900000000 ] - [ 0.0002817900000000, 0.0001748600000000, 0.0003177900000000 ] - [ -0.0002994500000000, -0.0002662800000000, -0.0000019800000000 ] - [ 0.0086667100000000, -0.0354312600000000, -0.0111827000000000 ] - [ -0.0000155100000000, -0.0000244300000000, -0.0000287100000000 ] - [ -0.0004974000000000, -0.0002567300000000, 0.0001622700000000 ] - [ 0.0002815700000000, 0.0001313600000000, -0.0002052000000000 ] - [ 0.0080281100000000, -0.0364684000000000, 0.0107649200000000 ] - [ -0.0000190200000000, -0.0000263700000000, 0.0000457700000000 ] - [ 0.0000868900000000, 0.0007144700000000, 0.0001784600000000 ] - [ -0.0000538900000000, 0.0002669100000000, -0.0000947800000000 ] - [ -0.0007183200000000, 0.0012804500000000, 0.0012394900000000 ] - [ 0.0000435500000000, -0.0000079300000000, 0.0000531200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001413900000000, 0.0008557500000000, -0.0006005000000000 ] - [ -0.0000208700000000, 0.0000575200000000, 0.0007069100000000 ] - [ -0.0016971200000000, 0.0004178700000000, -0.0010903600000000 ] - [ 0.0003093200000000, -0.0000600000000000, 0.0008544000000000 ] - [ 0.0001457700000000, -0.0003047800000000, -0.0011494500000000 ] - [ 0.0001578400000000, -0.0002291600000000, 0.0009564900000000 ] - [ 0.0010762600000000, -0.0006850500000000, -0.0013098300000000 ] - [ -0.0001572300000000, 0.0000507300000000, 0.0010781700000000 ] - [ 0.0001129500000000, -0.0000110600000000, -0.0009723200000000 ] - [ -0.0003700100000000, -0.0000041600000000, 0.0009113800000000 ] - [ 0.0008643100000000, 0.0000923400000000, -0.0006042700000000 ] - [ 0.0000880300000000, 0.0001092000000000, 0.0007545900000000 ] - [ -0.0016592100000000, -0.0016350700000000, 0.0006686900000000 ] - [ 0.0000934600000000, -0.0000179600000000, 0.0013001300000000 ] - [ -0.0070386700000000, -0.0090509100000000, 0.0048935400000000 ] - [ -0.0001758200000000, -0.0003135500000000, 0.0014872800000000 ] - [ -0.0009396700000000, -0.0024016200000000, 0.0011630700000000 ] - [ -0.0000369100000000, 0.0001085400000000, 0.0013202400000000 ] - [ 0.0011639400000000, 0.0034415500000000, -0.1099903900000000 ] - [ -0.0000025000000000, 0.0000077200000000, 0.0012199500000000 ] - [ -0.0001508800000000, 0.0002179400000000, -0.0035568400000000 ] - [ 0.0000049600000000, 0.0000112100000000, 0.0010743600000000 ] - [ 0.0002529100000000, -0.0000188100000000, -0.0035563000000000 ] - [ 0.0000080900000000, -0.0000065400000000, 0.0010741200000000 ] - [ 0.0014289200000000, -0.0004191600000000, 0.0009440500000000 ] - [ -0.0016024100000000, 0.0001693800000000, 0.0011927700000000 ] - [ -0.0000805700000000, 0.0001700800000000, 0.0005093100000000 ] - [ -0.0000280400000000, 0.0000080200000000, 0.0004640500000000 ] - [ 0.0001028600000000, -0.0004964800000000, 0.0005335300000000 ] - [ -0.0001799700000000, 0.0002739500000000, 0.0003989000000000 ] - [ -0.0008608400000000, -0.0000627200000000, -0.0016836900000000 ] - [ 0.0003076900000000, 0.0000367800000000, 0.0009250800000000 ] - [ 0.0005954100000000, 0.0004217800000000, -0.0017155200000000 ] - [ -0.0000871500000000, -0.0002367000000000, 0.0008943700000000 ] - [ 0.0007031500000000, -0.0011681200000000, -0.0034993000000000 ] - [ -0.0001857300000000, 0.0002394800000000, 0.0009100800000000 ] - [ -0.0005830800000000, -0.0000324800000000, 0.0006192200000000 ] - [ 0.0009209300000000, 0.0003416900000000, 0.0004917800000000 ] - [ -0.0000069600000000, 0.0000042200000000, 0.0005663700000000 ] - [ -0.0004357100000000, 0.0000404500000000, 0.0002125000000000 ] - [ -0.0012756700000000, 0.0006719300000000, 0.0014173700000000 ] - [ 0.0012546600000000, -0.0013822700000000, 0.0010814500000000 ] - [ 0.0002350400000000, 0.0003627200000000, 0.0016459500000000 ] - [ 0.0062912700000000, 0.0082180300000000, 0.0042408500000000 ] - [ -0.0000885000000000, -0.0000504900000000, 0.0014897300000000 ] - [ 0.0019402700000000, 0.0017186100000000, 0.0007412800000000 ] - [ 0.0000004200000000, -0.0001028700000000, 0.0014769900000000 ] - [ 0.0010741900000000, 0.0023975600000000, 0.0008427700000000 ] - [ -0.0003772100000000, -0.0000625500000000, -0.0011509300000000 ] - [ 0.0003467900000000, 0.0000329100000000, 0.0008735100000000 ] - [ -0.0011336000000000, 0.0006552800000000, -0.0011713000000000 ] - [ 0.0001381500000000, -0.0000448800000000, 0.0010781700000000 ] - [ -0.0008174100000000, 0.0001152800000000, -0.0007169500000000 ] - [ -0.0000819900000000, -0.0001866600000000, 0.0007878400000000 ] - [ 0.0008650600000000, 0.0019044900000000, -0.0026238600000000 ] - [ -0.0004440800000000, -0.0013898900000000, -0.0028543600000000 ] - [ 0.0004356100000000, -0.0004193300000000, -0.0006542500000000 ] - [ -0.0002483200000000, 0.0002398100000000, -0.0005207300000000 ] - [ -0.0005398200000000, 0.0003046900000000, -0.0007756300000000 ] - [ 0.0003011300000000, -0.0002243300000000, -0.0006945900000000 ] - [ -0.0002181400000000, -0.0000126000000000, 0.0039080400000000 ] - [ -0.0000196100000000, -0.0001887200000000, -0.0011241400000000 ] - [ 0.0000996700000000, 0.0000482600000000, 0.0059206900000000 ] - [ 0.0001722700000000, 0.0000816900000000, -0.0012506500000000 ] - [ 0.0002797600000000, 0.0000312800000000, 0.0034054400000000 ] - [ -0.0001574400000000, 0.0001274000000000, -0.0011157200000000 ] - [ -0.0007432300000000, 0.0003386700000000, 0.0018620200000000 ] - [ 0.0001148900000000, -0.0000318700000000, -0.0018539200000000 ] - [ 0.0000599200000000, 0.0000193400000000, 0.0035148800000000 ] - [ -0.0000072000000000, 0.0000004200000000, -0.0021920100000000 ] - [ -0.0010221900000000, -0.0015205800000000, -0.0045861600000000 ] - [ 0.0009829300000000, 0.0013708800000000, -0.0040402800000000 ] - [ -0.0023434000000000, 0.0014963100000000, 0.0012226300000000 ] - [ 0.0000765500000000, 0.0000825800000000, -0.0010887000000000 ] - [ 0.0025293200000000, -0.0015355800000000, 0.0012719600000000 ] - [ -0.0003288300000000, -0.0000771900000000, -0.0010966300000000 ] - [ -0.0010939800000000, -0.0017281900000000, 0.0050959200000000 ] - [ 0.0001383000000000, 0.0000740600000000, -0.0012834500000000 ] - [ 0.0025130700000000, -0.0012322200000000, 0.0011906100000000 ] - [ -0.0000188400000000, 0.0000100700000000, -0.0008640400000000 ] - [ -0.0018346800000000, 0.0011009100000000, 0.0010288900000000 ] - [ 0.0001452900000000, 0.0000695400000000, -0.0007785100000000 ] - [ 0.0009010100000000, 0.0005491200000000, 0.0029737000000000 ] - [ -0.0001768200000000, -0.0001216100000000, -0.0010350100000000 ] - [ -0.0002962700000000, 0.0000397400000000, -0.0009832000000000 ] - [ 0.0006760100000000, 0.0001320800000000, -0.0006287600000000 ] - [ 0.0148882700000000, 0.0227241800000000, 0.0462466900000000 ] - [ -0.0000646800000000, -0.0000750100000000, -0.0014331400000000 ] - [ -0.0006408800000000, 0.0000081000000000, -0.0005043300000000 ] - [ 0.0004173200000000, -0.0000360200000000, -0.0009307400000000 ] - [ -0.0152748300000000, -0.0236732400000000, 0.0476433700000000 ] - [ 0.0000474600000000, 0.0000564200000000, -0.0014273300000000 ] - [ 0.0005311700000000, -0.0005817100000000, 0.0002403200000000 ] - [ -0.0001750400000000, 0.0002556400000000, -0.0009795900000000 ] - [ 0.0001207500000000, -0.0004048100000000, 0.0018029400000000 ] - [ -0.0000499800000000, -0.0000772600000000, -0.0010416400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001597900000000, -0.0008121300000000, 0.0005934400000000 ] - [ 0.0000467500000000, -0.0000114600000000, -0.0007083400000000 ] - [ 0.0016322700000000, -0.0004074400000000, 0.0010811200000000 ] - [ -0.0003629700000000, 0.0000616300000000, -0.0008557400000000 ] - [ -0.0001220400000000, 0.0002647200000000, 0.0011319000000000 ] - [ -0.0001335100000000, 0.0001886800000000, -0.0009624400000000 ] - [ -0.0011040900000000, 0.0006768000000000, 0.0012053500000000 ] - [ 0.0001191500000000, -0.0000587300000000, -0.0011768900000000 ] - [ -0.0000892700000000, 0.0000486300000000, 0.0008676100000000 ] - [ 0.0003861400000000, 0.0000428100000000, -0.0010112900000000 ] - [ -0.0008424600000000, -0.0001302500000000, 0.0004987300000000 ] - [ -0.0000638600000000, -0.0001402600000000, -0.0008522100000000 ] - [ 0.0016686300000000, 0.0016168800000000, -0.0005812700000000 ] - [ -0.0000680800000000, 0.0000470000000000, -0.0012061700000000 ] - [ 0.0068318500000000, 0.0088139900000000, -0.0048085300000000 ] - [ 0.0001380500000000, 0.0003216700000000, -0.0013937400000000 ] - [ 0.0009184300000000, 0.0023286700000000, -0.0010653200000000 ] - [ 0.0000509100000000, -0.0001466000000000, -0.0012258800000000 ] - [ 0.0007364000000000, -0.0007749300000000, 0.1102983600000000 ] - [ -0.0000360700000000, -0.0000989200000000, -0.0010724000000000 ] - [ 0.0001719100000000, 0.0000102200000000, 0.0037188800000000 ] - [ -0.0000630800000000, 0.0000667900000000, -0.0009268800000000 ] - [ -0.0000429800000000, 0.0001563500000000, 0.0037194100000000 ] - [ 0.0000913900000000, 0.0000175300000000, -0.0009271200000000 ] - [ -0.0013175400000000, 0.0004049100000000, -0.0010887100000000 ] - [ 0.0017193500000000, -0.0001821100000000, -0.0013561500000000 ] - [ 0.0000426500000000, -0.0000827500000000, -0.0006601300000000 ] - [ -0.0000116700000000, 0.0000826400000000, -0.0006146000000000 ] - [ -0.0001595700000000, 0.0004172500000000, -0.0006872500000000 ] - [ 0.0001240100000000, -0.0003515500000000, -0.0005457900000000 ] - [ 0.0008187400000000, 0.0001011600000000, 0.0015948400000000 ] - [ -0.0003438200000000, -0.0000033300000000, -0.0010204700000000 ] - [ -0.0005602100000000, -0.0004035400000000, 0.0016293500000000 ] - [ 0.0001332700000000, 0.0002492100000000, -0.0009886200000000 ] - [ -0.0007081800000000, 0.0010669700000000, 0.0034071300000000 ] - [ 0.0001715900000000, -0.0002863300000000, -0.0010046600000000 ] - [ 0.0005651300000000, 0.0000773000000000, -0.0005308700000000 ] - [ -0.0009393900000000, -0.0002961300000000, -0.0003992900000000 ] - [ -0.0000283200000000, -0.0000390100000000, -0.0004777100000000 ] - [ 0.0004015600000000, -0.0000754200000000, -0.0001167500000000 ] - [ 0.0013082700000000, -0.0006749200000000, -0.0013172800000000 ] - [ -0.0012219000000000, 0.0013828600000000, -0.0009985800000000 ] - [ -0.0001723200000000, -0.0002869900000000, -0.0014589500000000 ] - [ -0.0064119100000000, -0.0083863400000000, -0.0040507800000000 ] - [ 0.0001212200000000, -0.0000404100000000, -0.0013040100000000 ] - [ -0.0019268400000000, -0.0018525600000000, -0.0005544000000000 ] - [ -0.0000957200000000, 0.0001176600000000, -0.0012914700000000 ] - [ -0.0012016800000000, -0.0024128300000000, -0.0006528000000000 ] - [ 0.0002860900000000, 0.0000474300000000, 0.0009714800000000 ] - [ -0.0004403400000000, -0.0000482500000000, -0.0010636700000000 ] - [ 0.0012101300000000, -0.0007328100000000, 0.0009930200000000 ] - [ -0.0000743800000000, -0.0000320500000000, -0.0012682500000000 ] - [ 0.0008526100000000, -0.0000321300000000, 0.0005402600000000 ] - [ 0.0001165900000000, 0.0002795600000000, -0.0009805900000000 ] - [ -0.0007510800000000, -0.0019259500000000, 0.0026012000000000 ] - [ 0.0005569600000000, 0.0013687200000000, 0.0028668900000000 ] - [ -0.0005137200000000, 0.0003360600000000, 0.0006561900000000 ] - [ 0.0001721400000000, -0.0003250000000000, 0.0005095600000000 ] - [ 0.0005081600000000, -0.0001899900000000, 0.0007776500000000 ] - [ -0.0003354300000000, 0.0003372700000000, 0.0006838800000000 ] - [ 0.0001961200000000, -0.0000918800000000, -0.0038998700000000 ] - [ -0.0000185400000000, 0.0000791500000000, 0.0011324800000000 ] - [ 0.0000134700000000, -0.0000312500000000, -0.0059168200000000 ] - [ -0.0000601000000000, -0.0000582700000000, 0.0012593800000000 ] - [ -0.0003576400000000, 0.0000748100000000, -0.0034038600000000 ] - [ 0.0000805400000000, -0.0000407800000000, 0.0011246500000000 ] - [ 0.0007531400000000, -0.0003430300000000, -0.0018825600000000 ] - [ -0.0001146000000000, 0.0000310000000000, 0.0018591700000000 ] - [ -0.0000520400000000, -0.0000134200000000, -0.0038497200000000 ] - [ 0.0000085000000000, -0.0000007300000000, 0.0018691300000000 ] - [ 0.0010158800000000, 0.0015149000000000, 0.0049153600000000 ] - [ -0.0009898000000000, -0.0013768900000000, 0.0043771500000000 ] - [ 0.0023888600000000, -0.0014479000000000, -0.0012373300000000 ] - [ -0.0000405000000000, -0.0000210100000000, 0.0010918100000000 ] - [ -0.0026165800000000, 0.0015363500000000, -0.0012884600000000 ] - [ 0.0002566900000000, 0.0000763800000000, 0.0010992900000000 ] - [ 0.0012775000000000, 0.0019009800000000, -0.0054391100000000 ] - [ -0.0001039800000000, -0.0001341200000000, 0.0012831200000000 ] - [ -0.0025111300000000, 0.0012132100000000, -0.0011801400000000 ] - [ 0.0000123900000000, -0.0000213500000000, 0.0008651600000000 ] - [ 0.0018374200000000, -0.0011067400000000, -0.0010176300000000 ] - [ -0.0001338900000000, -0.0000708000000000, 0.0007790400000000 ] - [ -0.0008114500000000, -0.0003526000000000, -0.0027267400000000 ] - [ 0.0001711500000000, 0.0001332700000000, 0.0010400300000000 ] - [ 0.0002959700000000, -0.0000433300000000, 0.0010465600000000 ] - [ -0.0006847000000000, -0.0001286700000000, 0.0006890600000000 ] - [ -0.0158529400000000, -0.0241258800000000, -0.0481434200000000 ] - [ 0.0000591900000000, 0.0000760700000000, 0.0013728400000000 ] - [ 0.0006356700000000, -0.0000042300000000, 0.0005797700000000 ] - [ -0.0004203400000000, 0.0000334300000000, 0.0010076600000000 ] - [ 0.0143135400000000, 0.0223204100000000, -0.0459244100000000 ] - [ -0.0000521300000000, -0.0000545800000000, 0.0013559300000000 ] - [ -0.0005222900000000, 0.0005748900000000, -0.0002863000000000 ] - [ 0.0001743500000000, -0.0002587100000000, 0.0009303100000000 ] - [ -0.0001175400000000, 0.0003936700000000, -0.0017179900000000 ] - [ 0.0000521200000000, 0.0000773800000000, 0.0010961900000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0034481500000000, -0.0017578100000000, -0.0007162900000000 ] - [ -0.0002188700000000, -0.0002561900000000, -0.0000552400000000 ] - [ 0.0057298800000000, 0.0000393600000000, 0.0111519900000000 ] - [ -0.0001756100000000, -0.0000265600000000, 0.0003988700000000 ] - [ -0.0036373000000000, 0.0015422700000000, -0.0008652100000000 ] - [ -0.0001898500000000, 0.0002496100000000, -0.0000659200000000 ] - [ 0.0017424100000000, -0.0002532600000000, -0.0006483200000000 ] - [ 0.0001368600000000, -0.0001593800000000, 0.0003109700000000 ] - [ 0.0003018200000000, 0.0018106000000000, -0.0014926500000000 ] - [ -0.0002137700000000, 0.0000487300000000, 0.0004002200000000 ] - [ -0.0002931300000000, 0.0000123500000000, -0.0011004800000000 ] - [ 0.0002465200000000, 0.0004854200000000, 0.0006159000000000 ] - [ 0.0004624400000000, -0.0014874700000000, -0.0014647100000000 ] - [ -0.0000473700000000, -0.0000114200000000, 0.0004886300000000 ] - [ 0.0019069900000000, 0.0007315900000000, -0.0007024400000000 ] - [ 0.0000784300000000, -0.0000337100000000, 0.0004728700000000 ] - [ -0.0003332000000000, -0.0011932700000000, -0.0007483200000000 ] - [ 0.0000161500000000, -0.0000337900000000, 0.0004465200000000 ] - [ -0.0004493900000000, -0.0003143700000000, -0.0007649300000000 ] - [ -0.0000251600000000, -0.0000505300000000, 0.0004004800000000 ] - [ 0.0057481900000000, -0.0062561100000000, -0.0012399300000000 ] - [ -0.0000315900000000, 0.0001193400000000, 0.0003917700000000 ] - [ 0.0009664900000000, 0.0000464600000000, -0.0005715700000000 ] - [ 0.0001447400000000, -0.0000122700000000, 0.0003400000000000 ] - [ 0.0008231200000000, -0.0001705000000000, -0.0004098500000000 ] - [ 0.0008499300000000, -0.0000596600000000, 0.0006675600000000 ] - [ -0.0002045800000000, 0.0002785000000000, -0.0000850400000000 ] - [ -0.0002023900000000, 0.0003815700000000, 0.0003438600000000 ] - [ 0.0005536400000000, 0.0003678100000000, -0.0013045400000000 ] - [ 0.0005311400000000, 0.0014427500000000, 0.0017374100000000 ] - [ -0.1213938700000000, 0.0000045300000000, -0.0363084500000000 ] - [ -0.0001066300000000, 0.0000479600000000, 0.0003933200000000 ] - [ 0.0007009000000000, 0.0018855700000000, 0.0005249900000000 ] - [ 0.0000737800000000, 0.0000871200000000, 0.0003132900000000 ] - [ 0.0007036700000000, -0.0018909100000000, 0.0004578000000000 ] - [ 0.0000290900000000, -0.0001128700000000, 0.0003217000000000 ] - [ -0.0000030200000000, 0.0008251500000000, 0.0009241500000000 ] - [ 0.0005701300000000, 0.0021967300000000, -0.0025711900000000 ] - [ -0.0042488800000000, 0.0000108600000000, 0.0016426000000000 ] - [ -0.0025742700000000, -0.0000233500000000, 0.0003783400000000 ] - [ 0.0001045500000000, -0.0008632800000000, 0.0008484700000000 ] - [ 0.0004789400000000, -0.0020255200000000, -0.0023405500000000 ] - [ 0.0003065000000000, 0.0004389300000000, 0.0003338000000000 ] - [ 0.0021313900000000, -0.0011973000000000, -0.0002105200000000 ] - [ 0.0000652900000000, -0.0002405100000000, 0.0001628300000000 ] - [ 0.0002939800000000, -0.0011499300000000, 0.0010096000000000 ] - [ -0.0002522600000000, 0.0000662100000000, 0.0001829200000000 ] - [ 0.0001260400000000, -0.0020177900000000, 0.0006107700000000 ] - [ 0.0009135900000000, 0.0027726400000000, 0.0013695700000000 ] - [ -0.0001579800000000, -0.0000336500000000, 0.0000625600000000 ] - [ 0.0018762100000000, 0.0009653800000000, -0.0003862800000000 ] - [ 0.0001716700000000, -0.0003334100000000, 0.0003747800000000 ] - [ -0.0000091700000000, 0.0002659000000000, 0.0001507500000000 ] - [ 0.0001406500000000, 0.0003390100000000, -0.0000991000000000 ] - [ -0.0026900300000000, 0.0005469500000000, -0.0018414200000000 ] - [ -0.0016248600000000, 0.0001319400000000, -0.0004243800000000 ] - [ 0.0007986800000000, 0.0008265000000000, 0.0003975100000000 ] - [ 0.0008906000000000, 0.0001022000000000, -0.0007657000000000 ] - [ 0.0006702000000000, -0.0009530300000000, 0.0001812900000000 ] - [ 0.0006062300000000, -0.0005033800000000, -0.0003839200000000 ] - [ 0.0038009400000000, -0.0013781900000000, 0.0009041900000000 ] - [ 0.0001150400000000, 0.0000536100000000, -0.0003067600000000 ] - [ -0.0044950600000000, -0.0006920100000000, 0.0026354600000000 ] - [ -0.0000696600000000, 0.0000459300000000, -0.0004073000000000 ] - [ 0.0042516400000000, 0.0019551800000000, 0.0014097400000000 ] - [ -0.0000272600000000, -0.0001456700000000, -0.0003122100000000 ] - [ 0.0161348600000000, 0.0002719300000000, -0.0096152200000000 ] - [ -0.0000949100000000, 0.0000065500000000, -0.0017505900000000 ] - [ -0.0018662700000000, -0.0017699300000000, 0.0011104600000000 ] - [ 0.0000184700000000, 0.0000513600000000, -0.0008648000000000 ] - [ -0.0002156300000000, 0.0000189100000000, 0.0011070600000000 ] - [ -0.0002005600000000, 0.0004890200000000, -0.0013589100000000 ] - [ -0.0009886400000000, -0.0016056000000000, 0.0001859800000000 ] - [ -0.0001444600000000, -0.0003687400000000, -0.0003934000000000 ] - [ 0.0026047600000000, 0.0001899900000000, 0.0000529600000000 ] - [ 0.0003499800000000, 0.0000236900000000, -0.0002921000000000 ] - [ -0.0008587500000000, 0.0015737000000000, 0.0002366500000000 ] - [ -0.0001571000000000, 0.0003983700000000, -0.0003704400000000 ] - [ -0.0007207600000000, -0.0031613700000000, 0.0003496000000000 ] - [ -0.0000537700000000, -0.0003721300000000, -0.0001052500000000 ] - [ 0.0008938000000000, -0.0001258300000000, 0.0051886200000000 ] - [ 0.0003021600000000, 0.0001682700000000, -0.0006092600000000 ] - [ -0.0003930900000000, 0.0032920400000000, 0.0002867300000000 ] - [ -0.0003426600000000, 0.0002298900000000, -0.0001571500000000 ] - [ -0.0001807400000000, -0.0002380700000000, 0.0004022700000000 ] - [ -0.0007213000000000, -0.0001682100000000, -0.0007363000000000 ] - [ -0.0005412700000000, 0.0017227800000000, -0.0005758300000000 ] - [ -0.0000800700000000, -0.0000432300000000, -0.0003476100000000 ] - [ -0.0004573700000000, 0.0002289000000000, 0.0002738800000000 ] - [ -0.0003255900000000, -0.0004469100000000, -0.0009400700000000 ] - [ -0.0003459300000000, 0.0014173100000000, 0.0025164300000000 ] - [ -0.0000086200000000, -0.0000030400000000, -0.0004626300000000 ] - [ 0.0040093100000000, 0.0001595200000000, -0.0022349600000000 ] - [ 0.0008477000000000, 0.0000321900000000, 0.0005677600000000 ] - [ 0.0906787000000000, 0.0025416600000000, 0.0335681500000000 ] - [ -0.0000774200000000, -0.0000006000000000, -0.0001962200000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0033981700000000, 0.0017711000000000, 0.0006622700000000 ] - [ 0.0002446500000000, 0.0003015900000000, 0.0000550400000000 ] - [ -0.0057267500000000, -0.0000367800000000, -0.0108730100000000 ] - [ 0.0001231500000000, 0.0000278500000000, -0.0003984000000000 ] - [ 0.0035902000000000, -0.0015598600000000, 0.0008169600000000 ] - [ 0.0002159100000000, -0.0002942100000000, 0.0000656000000000 ] - [ -0.0017837800000000, 0.0002430100000000, 0.0005538700000000 ] - [ -0.0001756400000000, 0.0001519200000000, -0.0004072800000000 ] - [ -0.0002839300000000, -0.0017796200000000, 0.0014007700000000 ] - [ 0.0002248900000000, -0.0000106400000000, -0.0004956600000000 ] - [ 0.0003077200000000, -0.0000556200000000, 0.0009939000000000 ] - [ -0.0002239100000000, -0.0005192900000000, -0.0007146400000000 ] - [ -0.0004401600000000, 0.0015299500000000, 0.0015606800000000 ] - [ 0.0000741600000000, 0.0000406500000000, -0.0003934400000000 ] - [ -0.0019441000000000, -0.0007210900000000, 0.0007953200000000 ] - [ -0.0001172600000000, 0.0000411100000000, -0.0003776000000000 ] - [ 0.0003537800000000, 0.0011584400000000, 0.0008350500000000 ] - [ -0.0000023500000000, -0.0000033000000000, -0.0003505700000000 ] - [ 0.0004226300000000, 0.0002310400000000, 0.0009149400000000 ] - [ -0.0000129700000000, -0.0000398000000000, -0.0002508400000000 ] - [ -0.0058594500000000, 0.0064072300000000, 0.0014016200000000 ] - [ -0.0000264000000000, -0.0000415400000000, -0.0002420400000000 ] - [ -0.0008706700000000, -0.0000195500000000, 0.0007208800000000 ] - [ -0.0000454800000000, 0.0000233200000000, -0.0001911600000000 ] - [ -0.0007268400000000, 0.0001577800000000, 0.0002596400000000 ] - [ -0.0007538500000000, 0.0000479300000000, -0.0008150400000000 ] - [ 0.0001656600000000, -0.0001893300000000, -0.0000638700000000 ] - [ 0.0001622000000000, -0.0002901600000000, -0.0004936600000000 ] - [ -0.0006149400000000, -0.0004533500000000, 0.0011537100000000 ] - [ -0.0005936900000000, -0.0015366200000000, -0.0018960600000000 ] - [ 0.1174046800000000, -0.0001677300000000, 0.0341190400000000 ] - [ 0.0000734500000000, -0.0000144900000000, -0.0004860800000000 ] - [ -0.0006985200000000, -0.0018708500000000, -0.0006208400000000 ] - [ -0.0000286200000000, -0.0000762300000000, -0.0004053500000000 ] - [ -0.0007420300000000, 0.0018389600000000, -0.0005500100000000 ] - [ -0.0000439900000000, 0.0000672000000000, -0.0004136700000000 ] - [ -0.0000181300000000, -0.0007837300000000, -0.0008325200000000 ] - [ -0.0005803900000000, -0.0021379700000000, 0.0026507100000000 ] - [ 0.0041996200000000, -0.0000459300000000, -0.0015413000000000 ] - [ 0.0025477800000000, -0.0000121600000000, -0.0002801400000000 ] - [ -0.0000668600000000, 0.0008547500000000, -0.0007581400000000 ] - [ -0.0004327900000000, 0.0019999400000000, 0.0024244100000000 ] - [ -0.0002447100000000, -0.0003631700000000, -0.0001440100000000 ] - [ -0.0020742700000000, 0.0012816900000000, 0.0004083600000000 ] - [ -0.0000307900000000, 0.0001496500000000, 0.0000256000000000 ] - [ -0.0002627900000000, 0.0010700000000000, -0.0008207500000000 ] - [ 0.0001563800000000, -0.0000493300000000, 0.0000054100000000 ] - [ -0.0002088000000000, 0.0020394600000000, -0.0004128400000000 ] - [ -0.0009990900000000, -0.0028008400000000, -0.0015627800000000 ] - [ 0.0000617700000000, 0.0000173400000000, -0.0002521000000000 ] - [ -0.0018214500000000, -0.0010452600000000, 0.0001964800000000 ] - [ -0.0001097300000000, 0.0002570700000000, -0.0005631300000000 ] - [ 0.0000354200000000, -0.0001858500000000, -0.0003317000000000 ] - [ -0.0001070200000000, -0.0002478800000000, -0.0000905500000000 ] - [ 0.0027975600000000, -0.0005670300000000, 0.0018248600000000 ] - [ 0.0017459700000000, -0.0001544000000000, 0.0004231400000000 ] - [ -0.0008788900000000, -0.0009128200000000, -0.0004002300000000 ] - [ -0.0009700200000000, -0.0001917500000000, 0.0007553400000000 ] - [ -0.0007074100000000, 0.0010623700000000, -0.0001822700000000 ] - [ -0.0006416000000000, 0.0006154300000000, 0.0003728100000000 ] - [ -0.0038517200000000, 0.0012163200000000, -0.0008912500000000 ] - [ -0.0001526500000000, -0.0001642400000000, 0.0003132800000000 ] - [ 0.0046125400000000, 0.0007093900000000, -0.0026176900000000 ] - [ 0.0001828600000000, -0.0000215800000000, 0.0004140800000000 ] - [ -0.0043522600000000, -0.0018509800000000, -0.0013957000000000 ] - [ -0.0000503800000000, 0.0002330300000000, 0.0003188400000000 ] - [ -0.0157733200000000, -0.0002612800000000, 0.0090572800000000 ] - [ 0.0000930400000000, -0.0000069500000000, 0.0017504500000000 ] - [ 0.0018843700000000, 0.0017971500000000, -0.0014408300000000 ] - [ -0.0000177300000000, -0.0000518700000000, 0.0005387200000000 ] - [ 0.0002142500000000, -0.0000208000000000, -0.0007782900000000 ] - [ 0.0002003300000000, -0.0004943200000000, 0.0016872300000000 ] - [ 0.0010279300000000, 0.0016697900000000, -0.0001929800000000 ] - [ 0.0001810900000000, 0.0004312600000000, 0.0003944700000000 ] - [ -0.0029246600000000, -0.0001821000000000, -0.0002850000000000 ] - [ -0.0004208300000000, -0.0000237200000000, 0.0002893300000000 ] - [ 0.0008956000000000, -0.0016336300000000, -0.0002446700000000 ] - [ 0.0001922300000000, -0.0004604300000000, 0.0003717000000000 ] - [ 0.0007200200000000, 0.0031406500000000, -0.0003448300000000 ] - [ 0.0000478300000000, 0.0003619200000000, 0.0001053000000000 ] - [ -0.0009697300000000, 0.0001237000000000, -0.0050989700000000 ] - [ -0.0002926700000000, -0.0001688300000000, 0.0006118900000000 ] - [ 0.0003900400000000, -0.0032692200000000, -0.0002822600000000 ] - [ 0.0003366600000000, -0.0002197000000000, 0.0001572700000000 ] - [ 0.0001841000000000, 0.0002371200000000, -0.0003388300000000 ] - [ 0.0007274200000000, 0.0001749800000000, 0.0007932500000000 ] - [ 0.0005355200000000, -0.0017358800000000, 0.0005179600000000 ] - [ 0.0000754100000000, 0.0000449700000000, 0.0002853300000000 ] - [ 0.0004610100000000, -0.0002241900000000, -0.0001993000000000 ] - [ 0.0003331800000000, 0.0004489700000000, 0.0010168000000000 ] - [ 0.0003381800000000, -0.0014298400000000, -0.0025958600000000 ] - [ 0.0000048800000000, 0.0000053700000000, 0.0003887100000000 ] - [ -0.0039229100000000, -0.0001557100000000, 0.0021895800000000 ] - [ -0.0008449600000000, -0.0000304300000000, -0.0006063400000000 ] - [ -0.0865798300000000, -0.0023976400000000, -0.0309219600000000 ] - [ 0.0000794700000000, 0.0000001000000000, 0.0002485500000000 ]- atom: 31 displacement: [ -0.0049999999973645, 0.0086602540393660, 0.0000000000000000 ] forces: - [ -0.0012639300000000, -0.0006234900000000, -0.0018601100000000 ] - [ 0.0001363800000000, 0.0002047900000000, 0.0001274500000000 ] - [ -0.0033475700000000, -0.0074425400000000, -0.0057909800000000 ] - [ 0.0000473300000000, 0.0000520000000000, -0.0001737100000000 ] - [ 0.0044157800000000, -0.0020481700000000, 0.0020686600000000 ] - [ 0.0001151800000000, -0.0001228700000000, -0.0000240600000000 ] - [ -0.0008015500000000, 0.0000092800000000, 0.0001026600000000 ] - [ -0.0000842400000000, 0.0000392800000000, -0.0001823600000000 ] - [ 0.0015270500000000, -0.0002942600000000, -0.0011084400000000 ] - [ 0.0000778700000000, -0.0000191800000000, -0.0001822500000000 ] - [ 0.0016447600000000, 0.0019600000000000, 0.0025317200000000 ] - [ -0.0000829900000000, -0.0002449500000000, -0.0003819000000000 ] - [ -0.0008439500000000, 0.0018974700000000, -0.0002761200000000 ] - [ -0.0000021100000000, 0.0001198300000000, -0.0001948800000000 ] - [ -0.0010198400000000, -0.0005478500000000, 0.0005706000000000 ] - [ -0.0000913100000000, -0.0000238100000000, -0.0002030700000000 ] - [ -0.0009728000000000, 0.0004823200000000, 0.0016634400000000 ] - [ -0.0000210400000000, -0.0000138600000000, -0.0001819000000000 ] - [ -0.0028909700000000, 0.0012761900000000, 0.0004249800000000 ] - [ -0.0000124500000000, -0.0000313800000000, -0.0000708400000000 ] - [ -0.0059220900000000, 0.0043600700000000, 0.0006888800000000 ] - [ -0.0000380000000000, 0.0000179800000000, -0.0000637400000000 ] - [ -0.0010802800000000, 0.0025991100000000, 0.0006512700000000 ] - [ -0.0000522400000000, 0.0000223900000000, -0.0000359500000000 ] - [ 0.0001394100000000, 0.0001149500000000, -0.0003127700000000 ] - [ 0.0003037900000000, 0.0000390500000000, 0.0001156900000000 ] - [ 0.0001568800000000, -0.0000414000000000, -0.0000504000000000 ] - [ 0.0001495800000000, -0.0001149300000000, -0.0002347100000000 ] - [ -0.0001520200000000, 0.0002249500000000, 0.0012203600000000 ] - [ -0.0001503300000000, -0.0004512300000000, -0.0013185200000000 ] - [ 0.0594482600000000, -0.0360020100000000, 0.0178489400000000 ] - [ 0.0000554400000000, -0.0000124800000000, -0.0002445100000000 ] - [ 0.0023955400000000, -0.0028180500000000, 0.0014659600000000 ] - [ -0.0000023900000000, -0.0000493400000000, -0.0001928200000000 ] - [ -0.0030199600000000, -0.0009703400000000, -0.0020146900000000 ] - [ -0.0000336500000000, 0.0000212300000000, -0.0002185400000000 ] - [ -0.0000896900000000, -0.0007317900000000, -0.0006247100000000 ] - [ -0.0003654800000000, -0.0016076800000000, 0.0022904000000000 ] - [ 0.0020764300000000, -0.0000129600000000, -0.0008150700000000 ] - [ 0.0012716200000000, -0.0003429900000000, -0.0000587900000000 ] - [ 0.0000323900000000, 0.0000992700000000, -0.0001685000000000 ] - [ -0.0002151600000000, 0.0003924300000000, 0.0004250000000000 ] - [ -0.0000888600000000, -0.0001535200000000, 0.0000078900000000 ] - [ -0.0010576100000000, 0.0003808200000000, 0.0001066500000000 ] - [ -0.0000304600000000, 0.0001040000000000, 0.0000763300000000 ] - [ -0.0006750600000000, 0.0016685500000000, 0.0000893100000000 ] - [ -0.0000226100000000, -0.0000280300000000, 0.0000817500000000 ] - [ -0.0016216100000000, 0.0015460800000000, -0.0011396200000000 ] - [ 0.0018222700000000, -0.0002291000000000, 0.0010487700000000 ] - [ 0.0000067900000000, -0.0000222400000000, -0.0001858400000000 ] - [ -0.0009381800000000, -0.0006470700000000, 0.0001076700000000 ] - [ -0.0000542500000000, 0.0000974100000000, -0.0002981600000000 ] - [ 0.0010084800000000, 0.0013364100000000, -0.0015541400000000 ] - [ -0.0000570600000000, -0.0001604000000000, 0.0000063000000000 ] - [ 0.0015066000000000, -0.0003947400000000, 0.0008796600000000 ] - [ 0.0009123200000000, -0.0000516500000000, 0.0002148000000000 ] - [ -0.0005291900000000, -0.0004518900000000, 0.0003500000000000 ] - [ -0.0003700800000000, -0.0002180200000000, -0.0003147000000000 ] - [ -0.0005197100000000, 0.0005575000000000, -0.0006206200000000 ] - [ -0.0005707700000000, 0.0002054800000000, 0.0007338600000000 ] - [ -0.0001331600000000, -0.0008645500000000, 0.0006359300000000 ] - [ -0.0000636000000000, -0.0001249000000000, 0.0001237700000000 ] - [ 0.0024514100000000, 0.0006078100000000, -0.0012771100000000 ] - [ 0.0001375100000000, 0.0000026700000000, 0.0001785500000000 ] - [ -0.0021818500000000, 0.0081509000000000, -0.0017253800000000 ] - [ -0.0000591900000000, 0.0001476700000000, 0.0001335900000000 ] - [ -0.0072242000000000, 0.0021317700000000, 0.0038090200000000 ] - [ 0.0000359600000000, -0.0000436400000000, 0.0008565100000000 ] - [ -0.0015555300000000, -0.0009703400000000, -0.0004812300000000 ] - [ -0.0000267500000000, -0.0000288300000000, 0.0000947900000000 ] - [ 0.0001690700000000, -0.0000154400000000, -0.0003821100000000 ] - [ 0.0002047900000000, -0.0002657600000000, 0.0011322900000000 ] - [ -0.0000206100000000, 0.0001861500000000, 0.0000067700000000 ] - [ 0.0000979700000000, 0.0002589200000000, 0.0002020800000000 ] - [ -0.0019942100000000, 0.0037075100000000, -0.0008419500000000 ] - [ -0.0002649400000000, -0.0000333300000000, 0.0000804600000000 ] - [ 0.0011221500000000, -0.0017114000000000, -0.0000567100000000 ] - [ 0.0001024500000000, -0.0002512000000000, 0.0001723200000000 ] - [ -0.0004325100000000, 0.0012464000000000, -0.0003722300000000 ] - [ 0.0000559200000000, 0.0001767000000000, -0.0000245700000000 ] - [ -0.0008991500000000, 0.0034851600000000, -0.0019153900000000 ] - [ -0.0001659500000000, -0.0000311500000000, 0.0003158300000000 ] - [ 0.0011480600000000, -0.0021823000000000, 0.0000186400000000 ] - [ 0.0001037000000000, -0.0001107100000000, 0.0000652100000000 ] - [ 0.0002388600000000, 0.0003076400000000, -0.0002339300000000 ] - [ -0.0003917700000000, -0.0000482300000000, 0.0000642100000000 ] - [ 0.0014383400000000, -0.0015865300000000, 0.0002929100000000 ] - [ 0.0000471300000000, 0.0000101900000000, 0.0001013100000000 ] - [ -0.0002566400000000, -0.0007688200000000, -0.0000450600000000 ] - [ 0.0002806800000000, 0.0003129200000000, 0.0004469600000000 ] - [ 0.0013748800000000, -0.0018275200000000, -0.0015693600000000 ] - [ 0.0000065600000000, -0.0000040500000000, 0.0001690400000000 ] - [ -0.0020094300000000, 0.0010051800000000, 0.0011902300000000 ] - [ -0.0004136400000000, -0.0003262400000000, -0.0003442800000000 ] - [ -0.0411121600000000, 0.0265181500000000, -0.0157315900000000 ] - [ 0.0000312000000000, 0.0000346200000000, 0.0001088700000000 ]- atom: 31 displacement: [ 0.0049999999973645, -0.0086602540393660, 0.0000000000000000 ] forces: - [ 0.0012973100000000, 0.0006760200000000, 0.0019080000000000 ] - [ -0.0001093100000000, -0.0001581300000000, -0.0001265200000000 ] - [ 0.0032934700000000, 0.0075133700000000, 0.0058641600000000 ] - [ -0.0001003500000000, -0.0000507900000000, 0.0001749600000000 ] - [ -0.0043843900000000, 0.0019879300000000, -0.0020384900000000 ] - [ -0.0000875800000000, 0.0000762100000000, 0.0000248500000000 ] - [ 0.0007619800000000, -0.0000092400000000, -0.0001969300000000 ] - [ 0.0000443200000000, -0.0000455000000000, 0.0000856300000000 ] - [ -0.0015230300000000, 0.0003417900000000, 0.0010219000000000 ] - [ -0.0000659900000000, 0.0000570100000000, 0.0000861200000000 ] - [ -0.0015990400000000, -0.0019695700000000, -0.0025973500000000 ] - [ 0.0001056000000000, 0.0002119200000000, 0.0002823700000000 ] - [ 0.0008740600000000, -0.0018676100000000, 0.0003889700000000 ] - [ 0.0000288300000000, -0.0000883400000000, 0.0002882200000000 ] - [ 0.0009781300000000, 0.0005410600000000, -0.0004661800000000 ] - [ 0.0000510600000000, 0.0000289500000000, 0.0002964100000000 ] - [ 0.0009843500000000, -0.0005275200000000, -0.0015509100000000 ] - [ 0.0000354700000000, -0.0000229600000000, 0.0002752500000000 ] - [ 0.0028379600000000, -0.0013729100000000, -0.0002729000000000 ] - [ -0.0000258400000000, -0.0000591000000000, 0.0002201300000000 ] - [ 0.0058149700000000, -0.0042659700000000, -0.0005410800000000 ] - [ -0.0000195900000000, 0.0000590100000000, 0.0002129800000000 ] - [ 0.0011793800000000, -0.0026283500000000, -0.0005041900000000 ] - [ 0.0001504500000000, -0.0000110500000000, 0.0001846800000000 ] - [ -0.0000441500000000, -0.0001263700000000, 0.0001662100000000 ] - [ -0.0002038300000000, -0.0000516400000000, -0.0002621000000000 ] - [ -0.0001961700000000, 0.0001319600000000, -0.0000984900000000 ] - [ -0.0001893600000000, 0.0002070400000000, 0.0000836900000000 ] - [ 0.0000973700000000, -0.0002881200000000, -0.0013636900000000 ] - [ 0.0000935800000000, 0.0003760300000000, 0.0011582500000000 ] - [ -0.0600742200000000, 0.0354030600000000, -0.0184409700000000 ] - [ -0.0000887000000000, 0.0000461600000000, 0.0001507300000000 ] - [ -0.0023337200000000, 0.0028077600000000, -0.0015722600000000 ] - [ 0.0000474700000000, 0.0000598600000000, 0.0001000500000000 ] - [ 0.0031101700000000, 0.0009527300000000, 0.0019589000000000 ] - [ 0.0000187400000000, -0.0000663200000000, 0.0001259200000000 ] - [ 0.0000749500000000, 0.0007735000000000, 0.0007179600000000 ] - [ 0.0003550800000000, 0.0016465700000000, -0.0021981500000000 ] - [ -0.0020991600000000, -0.0000215100000000, 0.0008929100000000 ] - [ -0.0012990800000000, 0.0003042700000000, 0.0001602200000000 ] - [ 0.0000130300000000, -0.0001092700000000, 0.0002604400000000 ] - [ 0.0002583500000000, -0.0003863600000000, -0.0003124800000000 ] - [ 0.0001494400000000, 0.0002255600000000, 0.0001821100000000 ] - [ 0.0011196200000000, -0.0003119200000000, 0.0000811000000000 ] - [ 0.0000649500000000, -0.0001940900000000, 0.0001140400000000 ] - [ 0.0007083700000000, -0.0017599600000000, 0.0000874700000000 ] - [ -0.0000729800000000, 0.0000440800000000, 0.0001085900000000 ] - [ 0.0015197100000000, -0.0015300300000000, 0.0013136100000000 ] - [ -0.0019066100000000, 0.0002299900000000, -0.0012255200000000 ] - [ -0.0001016600000000, 0.0000069700000000, -0.0000025500000000 ] - [ 0.0010000600000000, 0.0005720900000000, -0.0002980700000000 ] - [ 0.0001155500000000, -0.0001707400000000, 0.0001087400000000 ] - [ -0.0009613200000000, -0.0012306300000000, 0.0013458600000000 ] - [ 0.0000915000000000, 0.0002531000000000, -0.0001960700000000 ] - [ -0.0013827400000000, 0.0003699700000000, -0.0008769100000000 ] - [ -0.0007871300000000, 0.0000304200000000, -0.0002195100000000 ] - [ 0.0004509000000000, 0.0003563600000000, -0.0003605600000000 ] - [ 0.0002913300000000, 0.0001244700000000, 0.0003072600000000 ] - [ 0.0004803000000000, -0.0004398800000000, 0.0006091000000000 ] - [ 0.0005307600000000, -0.0000919800000000, -0.0007344900000000 ] - [ 0.0001428800000000, 0.0004259200000000, -0.0005880500000000 ] - [ 0.0000253300000000, 0.0000135400000000, -0.0001172900000000 ] - [ -0.0023248500000000, -0.0005792400000000, 0.0012719600000000 ] - [ -0.0000234100000000, 0.0000219500000000, -0.0001711200000000 ] - [ 0.0021129200000000, -0.0074528100000000, 0.0017949800000000 ] - [ -0.0000189300000000, -0.0000592800000000, -0.0001265800000000 ] - [ 0.0072346500000000, -0.0020864800000000, -0.0038738400000000 ] - [ -0.0000352700000000, 0.0000434000000000, -0.0008502000000000 ] - [ 0.0015371800000000, 0.0009436900000000, 0.0001595500000000 ] - [ 0.0000277000000000, 0.0000284700000000, -0.0004201400000000 ] - [ -0.0001704200000000, 0.0000186800000000, 0.0007015000000000 ] - [ -0.0002054400000000, 0.0002644300000000, -0.0007957300000000 ] - [ 0.0000634100000000, -0.0001185100000000, -0.0000021400000000 ] - [ -0.0000610100000000, -0.0001948600000000, -0.0002018100000000 ] - [ 0.0017842200000000, -0.0036800500000000, 0.0007044200000000 ] - [ 0.0001906700000000, 0.0000329300000000, -0.0000790400000000 ] - [ -0.0010867500000000, 0.0016366400000000, 0.0000725900000000 ] - [ -0.0000669400000000, 0.0001881700000000, -0.0001723900000000 ] - [ 0.0004301200000000, -0.0012390100000000, 0.0003662100000000 ] - [ -0.0000609000000000, -0.0001855400000000, 0.0000249200000000 ] - [ 0.0008858200000000, -0.0034801600000000, 0.0019555800000000 ] - [ 0.0001744700000000, 0.0000309400000000, -0.0003138100000000 ] - [ -0.0011559900000000, 0.0021709300000000, -0.0000332800000000 ] - [ -0.0001088300000000, 0.0001190700000000, -0.0000658300000000 ] - [ -0.0002354000000000, -0.0003087400000000, 0.0002935200000000 ] - [ 0.0003920300000000, 0.0000571300000000, -0.0000044600000000 ] - [ -0.0014414000000000, 0.0015964500000000, -0.0003432400000000 ] - [ -0.0000518700000000, -0.0000084100000000, -0.0001637100000000 ] - [ 0.0002604100000000, 0.0007592000000000, 0.0001152900000000 ] - [ -0.0002728900000000, -0.0003117300000000, -0.0003692300000000 ] - [ -0.0013838100000000, 0.0018434200000000, 0.0014810300000000 ] - [ -0.0000107400000000, 0.0000059700000000, -0.0002412300000000 ] - [ 0.0020095800000000, -0.0009989100000000, -0.0012308400000000 ] - [ 0.0004129200000000, 0.0003310900000000, 0.0002889500000000 ] - [ 0.0416868900000000, -0.0263528900000000, 0.0160994600000000 ] - [ -0.0000289700000000, -0.0000346900000000, -0.0000574200000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0033914000000000, 0.0001259400000000, 0.0010610900000000 ] - [ 0.0000990300000000, 0.0002373800000000, 0.0011468600000000 ] - [ 0.0150813100000000, 0.0003564000000000, 0.0042870900000000 ] - [ -0.0004956300000000, -0.0000305100000000, 0.0013553500000000 ] - [ 0.0024724600000000, -0.0001364700000000, 0.0002775400000000 ] - [ 0.0001499700000000, -0.0001835700000000, 0.0011054800000000 ] - [ 0.0000877400000000, -0.0009930600000000, -0.0009541800000000 ] - [ -0.0000482700000000, -0.0000257400000000, 0.0007217600000000 ] - [ -0.0007013700000000, -0.0013570800000000, -0.0004943900000000 ] - [ -0.0000152000000000, 0.0000599300000000, 0.0007509900000000 ] - [ -0.0000642400000000, -0.0000582200000000, -0.0009355300000000 ] - [ 0.0001472500000000, 0.0001621000000000, 0.0009115400000000 ] - [ 0.0002296000000000, -0.0007277900000000, -0.0009521700000000 ] - [ -0.0001501300000000, 0.0004283800000000, 0.0007894000000000 ] - [ 0.0001694500000000, 0.0015800300000000, -0.0008304600000000 ] - [ -0.0002840200000000, -0.0003368800000000, 0.0007771200000000 ] - [ -0.0007240800000000, 0.0013414100000000, -0.0003527800000000 ] - [ 0.0004312400000000, -0.0000852500000000, 0.0007592300000000 ] - [ -0.0000932900000000, -0.0003268000000000, -0.0015602300000000 ] - [ 0.0000367400000000, 0.0000553100000000, 0.0010453200000000 ] - [ 0.0001298600000000, -0.0004823600000000, -0.0033746600000000 ] - [ -0.0000017600000000, 0.0000233400000000, 0.0010298500000000 ] - [ 0.0002229300000000, -0.0002058000000000, -0.0015935000000000 ] - [ -0.0000407100000000, -0.0000002300000000, 0.0010139000000000 ] - [ 0.0001463100000000, -0.0000667400000000, 0.0004976400000000 ] - [ 0.0001732400000000, -0.0000948400000000, 0.0003723000000000 ] - [ -0.0001192600000000, 0.0001196400000000, 0.0004455200000000 ] - [ 0.0001150700000000, -0.0001101200000000, 0.0000910500000000 ] - [ -0.0006003900000000, -0.0017124000000000, 0.0012949500000000 ] - [ 0.0005511500000000, 0.0015577500000000, 0.0009613200000000 ] - [ -0.0361497000000000, 0.0006557000000000, -0.0774793800000000 ] - [ 0.0004214700000000, 0.0000422000000000, 0.0012646000000000 ] - [ -0.0019777000000000, 0.0005717300000000, -0.0067975000000000 ] - [ -0.0001486500000000, -0.0003187200000000, 0.0012333100000000 ] - [ -0.0021116300000000, -0.0005720400000000, -0.0067967700000000 ] - [ -0.0002194600000000, 0.0002678000000000, 0.0012332700000000 ] - [ 0.0001998100000000, 0.0009155800000000, 0.0013399900000000 ] - [ -0.0003732700000000, -0.0027699600000000, 0.0038881700000000 ] - [ -0.0016025400000000, -0.0000848400000000, 0.0029712900000000 ] - [ -0.0003454000000000, 0.0000451900000000, 0.0032887500000000 ] - [ 0.0002368100000000, -0.0008072200000000, 0.0012711600000000 ] - [ -0.0003454400000000, 0.0025215900000000, 0.0033884400000000 ] - [ 0.0003330000000000, 0.0005465100000000, 0.0010536500000000 ] - [ 0.0011425900000000, -0.0017762800000000, -0.0010385000000000 ] - [ 0.0001673600000000, -0.0004103800000000, 0.0009332300000000 ] - [ -0.0001989400000000, 0.0006731300000000, -0.0009032400000000 ] - [ -0.0005107700000000, 0.0001071800000000, 0.0009534100000000 ] - [ 0.0012192400000000, -0.0021733900000000, -0.0006099100000000 ] - [ 0.0014793900000000, 0.0022802000000000, -0.0001699000000000 ] - [ 0.0001847900000000, -0.0000423500000000, 0.0008453000000000 ] - [ 0.0012521000000000, 0.0010826900000000, -0.0012256400000000 ] - [ -0.0000613900000000, -0.0000299700000000, 0.0010194100000000 ] - [ 0.0003306500000000, 0.0002900100000000, -0.0013464700000000 ] - [ -0.0002110700000000, -0.0004059500000000, 0.0010402900000000 ] - [ -0.0012920700000000, 0.0003322600000000, -0.0022091600000000 ] - [ 0.0009270100000000, -0.0000168900000000, -0.0010247500000000 ] - [ 0.0000349700000000, 0.0013757000000000, -0.0008260900000000 ] - [ -0.0002870900000000, -0.0014474100000000, -0.0010931800000000 ] - [ 0.0002830100000000, -0.0009647900000000, -0.0006716000000000 ] - [ -0.0004655700000000, 0.0011732200000000, -0.0007326700000000 ] - [ -0.0001098700000000, -0.0007017900000000, 0.0047961900000000 ] - [ -0.0000847800000000, -0.0002760900000000, -0.0011712900000000 ] - [ -0.0013041000000000, -0.0002802400000000, 0.0039954100000000 ] - [ 0.0003169000000000, 0.0000572100000000, -0.0012305000000000 ] - [ 0.0000350500000000, 0.0018622000000000, 0.0052465200000000 ] - [ -0.0002076300000000, 0.0002019000000000, -0.0012157100000000 ] - [ -0.0131411500000000, -0.0001257800000000, 0.0131433600000000 ] - [ -0.0001186900000000, 0.0000161200000000, -0.0031373200000000 ] - [ -0.0003021000000000, -0.0004334300000000, 0.0035339900000000 ] - [ 0.0000023700000000, 0.0000068800000000, -0.0022699800000000 ] - [ 0.0001277200000000, -0.0004537700000000, -0.0007782000000000 ] - [ -0.0002021900000000, 0.0003919500000000, -0.0004078300000000 ] - [ 0.0005034700000000, 0.0005894800000000, 0.0012474000000000 ] - [ -0.0003467900000000, -0.0000094200000000, -0.0011629000000000 ] - [ -0.0022226800000000, 0.0002314300000000, 0.0031124600000000 ] - [ 0.0002349800000000, -0.0003241000000000, -0.0015289400000000 ] - [ 0.0001519300000000, -0.0009809000000000, 0.0013936900000000 ] - [ 0.0002445300000000, 0.0003001900000000, -0.0011674500000000 ] - [ -0.0004562600000000, -0.0018108500000000, 0.0008636100000000 ] - [ 0.0003963300000000, 0.0002694900000000, -0.0009728500000000 ] - [ 0.0013723700000000, -0.0000854000000000, 0.0013811700000000 ] - [ -0.0003817700000000, 0.0001937100000000, -0.0011678600000000 ] - [ -0.0001373500000000, 0.0019724800000000, 0.0008316500000000 ] - [ 0.0000377700000000, -0.0004369800000000, -0.0009762600000000 ] - [ 0.0002023600000000, 0.0004456500000000, -0.0011095600000000 ] - [ -0.0004604900000000, -0.0002252900000000, -0.0005081200000000 ] - [ -0.0002860800000000, 0.0003043700000000, 0.0026107400000000 ] - [ -0.0000346200000000, -0.0000311200000000, -0.0012089500000000 ] - [ 0.0004143000000000, 0.0004253200000000, -0.0004353700000000 ] - [ -0.0001829400000000, -0.0002954400000000, -0.0007854800000000 ] - [ 0.0003463900000000, -0.0000521000000000, 0.0023317900000000 ] - [ 0.0000220300000000, -0.0000085000000000, -0.0011224500000000 ] - [ 0.0030434000000000, -0.0001865400000000, -0.0049956100000000 ] - [ 0.0000865900000000, -0.0000529600000000, -0.0025546000000000 ] - [ 0.0302762600000000, -0.0006803400000000, 0.0544106600000000 ] - [ -0.0000431800000000, 0.0000083700000000, -0.0014383200000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0032926700000000, -0.0001163700000000, -0.0009888000000000 ] - [ -0.0000735100000000, -0.0001936400000000, -0.0011530400000000 ] - [ -0.0149924700000000, -0.0003523400000000, -0.0042757000000000 ] - [ 0.0004493900000000, 0.0000316500000000, -0.0013642300000000 ] - [ -0.0023863300000000, 0.0001204600000000, -0.0002288000000000 ] - [ -0.0001240200000000, 0.0001400500000000, -0.0011119100000000 ] - [ -0.0001368100000000, 0.0009846700000000, 0.0008547100000000 ] - [ 0.0000099800000000, 0.0000176600000000, -0.0008204000000000 ] - [ 0.0007218300000000, 0.0013881900000000, 0.0003885900000000 ] - [ 0.0000259600000000, -0.0000230900000000, -0.0008492800000000 ] - [ 0.0000802000000000, 0.0000131100000000, 0.0008264600000000 ] - [ -0.0001241400000000, -0.0001953900000000, -0.0010136400000000 ] - [ -0.0002053500000000, 0.0007591000000000, 0.0010336700000000 ] - [ 0.0001780600000000, -0.0004018000000000, -0.0006964900000000 ] - [ -0.0002212800000000, -0.0015680700000000, 0.0009227600000000 ] - [ 0.0002467600000000, 0.0003452400000000, -0.0006838400000000 ] - [ 0.0007441200000000, -0.0013680900000000, 0.0004415200000000 ] - [ -0.0004201400000000, 0.0000487800000000, -0.0006656100000000 ] - [ 0.0000633500000000, 0.0002466300000000, 0.0017187100000000 ] - [ -0.0000753800000000, -0.0001469400000000, -0.0009001700000000 ] - [ -0.0001548300000000, 0.0005342900000000, 0.0035320800000000 ] - [ -0.0000562500000000, 0.0000545700000000, -0.0008848700000000 ] - [ -0.0001301300000000, 0.0002302200000000, 0.0017517100000000 ] - [ 0.0001402400000000, 0.0000109900000000, -0.0008690700000000 ] - [ -0.0000502400000000, 0.0000554700000000, -0.0006524400000000 ] - [ -0.0000749900000000, 0.0000838600000000, -0.0005187900000000 ] - [ 0.0000814700000000, -0.0000324200000000, -0.0005987400000000 ] - [ -0.0001562900000000, 0.0002031800000000, -0.0002383300000000 ] - [ 0.0005366200000000, 0.0016213900000000, -0.0014399200000000 ] - [ -0.0006137300000000, -0.0016505200000000, -0.0011189100000000 ] - [ 0.0342441700000000, -0.0006115300000000, 0.0770462000000000 ] - [ -0.0004582600000000, -0.0000091700000000, -0.0013647800000000 ] - [ 0.0019950000000000, -0.0005580100000000, 0.0067310700000000 ] - [ 0.0001958400000000, 0.0003322300000000, -0.0013321400000000 ] - [ 0.0020723000000000, 0.0005205000000000, 0.0067318100000000 ] - [ 0.0002065800000000, -0.0003165800000000, -0.0013321400000000 ] - [ -0.0002140900000000, -0.0008734700000000, -0.0012549200000000 ] - [ 0.0003602200000000, 0.0028370900000000, -0.0038237800000000 ] - [ 0.0015813300000000, 0.0000490400000000, -0.0028884600000000 ] - [ 0.0003126500000000, -0.0000819600000000, -0.0032164800000000 ] - [ -0.0001922600000000, 0.0007998600000000, -0.0011856700000000 ] - [ 0.0003920400000000, -0.0025552100000000, -0.0033182400000000 ] - [ -0.0002723500000000, -0.0004745600000000, -0.0008699700000000 ] - [ -0.0010895000000000, 0.0018747000000000, 0.0012438300000000 ] - [ -0.0001333200000000, 0.0003210900000000, -0.0007495600000000 ] - [ 0.0002356600000000, -0.0007711500000000, 0.0011098300000000 ] - [ 0.0004160000000000, -0.0000912400000000, -0.0007695100000000 ] - [ -0.0013229500000000, 0.0022067100000000, 0.0008111500000000 ] - [ -0.0015785900000000, -0.0023068000000000, -0.0000028700000000 ] - [ -0.0002818500000000, 0.0000259600000000, -0.0010392500000000 ] - [ -0.0011992100000000, -0.0011681900000000, 0.0010473300000000 ] - [ 0.0001241400000000, -0.0000461300000000, -0.0012139400000000 ] - [ -0.0002994800000000, -0.0002022200000000, 0.0011712800000000 ] - [ 0.0002446400000000, 0.0004968400000000, -0.0012327200000000 ] - [ 0.0014192600000000, -0.0003563900000000, 0.0022117400000000 ] - [ -0.0008187100000000, -0.0000052400000000, 0.0010289000000000 ] - [ -0.0001169800000000, -0.0014618500000000, 0.0008234500000000 ] - [ 0.0002136100000000, 0.0013745400000000, 0.0010921500000000 ] - [ -0.0003210700000000, 0.0010757100000000, 0.0006710500000000 ] - [ 0.0004337100000000, -0.0010757500000000, 0.0007295700000000 ] - [ 0.0000743300000000, 0.0005474000000000, -0.0047913800000000 ] - [ 0.0000478200000000, 0.0001673000000000, 0.0011838300000000 ] - [ 0.0014312900000000, 0.0003020200000000, -0.0040079700000000 ] - [ -0.0002056700000000, -0.0000338500000000, 0.0012440200000000 ] - [ -0.0001234100000000, -0.0017647700000000, -0.0052447700000000 ] - [ 0.0001320600000000, -0.0001161300000000, 0.0012283200000000 ] - [ 0.0137042000000000, 0.0001434400000000, -0.0136210200000000 ] - [ 0.0001187100000000, -0.0000165800000000, 0.0031557600000000 ] - [ 0.0002964700000000, 0.0004318400000000, -0.0038759500000000 ] - [ -0.0000013800000000, -0.0000080200000000, 0.0019530600000000 ] - [ -0.0001269900000000, 0.0004500700000000, 0.0011130000000000 ] - [ 0.0002036700000000, -0.0003984400000000, 0.0007316800000000 ] - [ -0.0004733900000000, -0.0005367900000000, -0.0012635900000000 ] - [ 0.0003839700000000, 0.0000714000000000, 0.0011702100000000 ] - [ 0.0019313200000000, -0.0002157800000000, -0.0033622600000000 ] - [ -0.0003071200000000, 0.0003244600000000, 0.0015337500000000 ] - [ -0.0001155200000000, 0.0009287700000000, -0.0014100600000000 ] - [ -0.0002098700000000, -0.0003636200000000, 0.0011749800000000 ] - [ 0.0004524200000000, 0.0018074400000000, -0.0008579200000000 ] - [ -0.0004047300000000, -0.0002832400000000, 0.0009775300000000 ] - [ -0.0014778500000000, 0.0000907400000000, -0.0011715300000000 ] - [ 0.0003962700000000, -0.0001951400000000, 0.0011765600000000 ] - [ 0.0001343800000000, -0.0019689600000000, -0.0008255800000000 ] - [ -0.0000448500000000, 0.0004506000000000, 0.0009811300000000 ] - [ -0.0001941900000000, -0.0004444500000000, 0.0011767900000000 ] - [ 0.0004648600000000, 0.0002296100000000, 0.0005679300000000 ] - [ 0.0002862900000000, -0.0003062600000000, -0.0027024200000000 ] - [ 0.0000302100000000, 0.0000322800000000, 0.0011526000000000 ] - [ -0.0004110700000000, -0.0004176600000000, 0.0005143900000000 ] - [ 0.0001908000000000, 0.0002981800000000, 0.0008633100000000 ] - [ -0.0003468700000000, 0.0000522300000000, -0.0023928400000000 ] - [ -0.0000260100000000, 0.0000102500000000, 0.0010540500000000 ] - [ -0.0030391100000000, 0.0001811400000000, 0.0049321600000000 ] - [ -0.0000878500000000, 0.0000551800000000, 0.0025214800000000 ] - [ -0.0288674100000000, 0.0007145100000000, -0.0536304000000000 ] - [ 0.0000462600000000, -0.0000088300000000, 0.0014989500000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003885500000000, 0.0008929900000000, 0.0009300800000000 ] - [ 0.0003165700000000, 0.0007771300000000, -0.0005546900000000 ] - [ 0.0008746800000000, -0.0000520400000000, 0.0003181500000000 ] - [ 0.0007317100000000, 0.0000965500000000, -0.0000458000000000 ] - [ 0.0001293600000000, -0.0000740900000000, 0.0002311600000000 ] - [ 0.0001421900000000, -0.0001137000000000, 0.0000332800000000 ] - [ -0.0002756100000000, 0.0000685200000000, 0.0010905100000000 ] - [ -0.0002621900000000, 0.0006487200000000, -0.0009347000000000 ] - [ -0.0002219500000000, -0.0000234200000000, 0.0000976500000000 ] - [ -0.0002851400000000, -0.0000744200000000, -0.0001351000000000 ] - [ 0.0000497100000000, -0.0001141400000000, -0.0000018500000000 ] - [ 0.0003548600000000, 0.0001122800000000, -0.0000994200000000 ] - [ -0.0013407700000000, 0.0014590900000000, -0.0026161400000000 ] - [ -0.0004513100000000, 0.0003740200000000, 0.0006830400000000 ] - [ -0.0009621400000000, -0.0009102000000000, 0.0001035700000000 ] - [ -0.0012910300000000, -0.0018052700000000, 0.0008388900000000 ] - [ 0.0007170100000000, -0.0002295200000000, -0.0004635100000000 ] - [ -0.0000932700000000, -0.0000886300000000, 0.0002390000000000 ] - [ -0.0000105000000000, -0.0000855800000000, 0.0002786400000000 ] - [ -0.0038475600000000, 0.0065566200000000, 0.0064663500000000 ] - [ 0.0000695100000000, -0.0002237200000000, -0.0000448500000000 ] - [ 0.0000106700000000, 0.0006176300000000, 0.0016072600000000 ] - [ -0.0001590800000000, -0.0000276500000000, 0.0001323700000000 ] - [ -0.0049024100000000, -0.0025140700000000, -0.0024274700000000 ] - [ -0.0001742700000000, 0.0006580100000000, -0.0002909600000000 ] - [ 0.0002370800000000, -0.0000279300000000, 0.0001570100000000 ] - [ 0.0006527400000000, -0.0010110300000000, 0.0010926200000000 ] - [ -0.0001657500000000, 0.0002299900000000, -0.0001812600000000 ] - [ -0.0010470200000000, -0.0011166000000000, -0.0005582500000000 ] - [ -0.0000726700000000, -0.0001172700000000, 0.0000774600000000 ] - [ 0.0002572900000000, 0.0000384100000000, 0.0002549200000000 ] - [ 0.0020901600000000, -0.0000243100000000, 0.0010792800000000 ] - [ -0.0000208800000000, -0.0001443100000000, 0.0002702800000000 ] - [ 0.0021343100000000, 0.0009034400000000, -0.0025640200000000 ] - [ -0.0000465600000000, 0.0001207800000000, 0.0001944100000000 ] - [ 0.0003112600000000, 0.0011054700000000, -0.0005600200000000 ] - [ 0.0036069400000000, 0.0012613800000000, 0.0027819700000000 ] - [ -0.0000683200000000, -0.0000297200000000, 0.0001331200000000 ] - [ 0.0018379300000000, 0.0000352100000000, -0.0011885400000000 ] - [ 0.0001241900000000, -0.0000009500000000, 0.0001387000000000 ] - [ 0.0006456500000000, 0.0005889200000000, -0.0000122900000000 ] - [ -0.0001179500000000, 0.0001324600000000, 0.0003230600000000 ] - [ -0.0678541200000000, -0.0401870400000000, -0.0184888200000000 ] - [ -0.0000063300000000, 0.0000088900000000, 0.0003594600000000 ] - [ -0.0036765800000000, -0.0006663500000000, -0.0013348800000000 ] - [ -0.0000118300000000, -0.0000016600000000, 0.0003102800000000 ] - [ 0.0008577900000000, 0.0033291600000000, 0.0024673100000000 ] - [ -0.0000024900000000, 0.0000069500000000, 0.0003274600000000 ] - [ -0.0000379600000000, -0.0000204000000000, 0.0001185100000000 ] - [ -0.0007080900000000, -0.0046040300000000, -0.0004049900000000 ] - [ 0.0000489600000000, -0.0000503200000000, 0.0001057700000000 ] - [ -0.0019092200000000, 0.0006054000000000, -0.0004106000000000 ] - [ 0.0000374500000000, 0.0000245800000000, 0.0001137300000000 ] - [ 0.0036725300000000, -0.0015089800000000, -0.0003826000000000 ] - [ 0.0034827700000000, -0.0011186900000000, -0.0018407500000000 ] - [ 0.0001115900000000, 0.0001908100000000, -0.0002048200000000 ] - [ 0.0002741600000000, 0.0001089700000000, 0.0000182300000000 ] - [ 0.0001403000000000, -0.0002413700000000, -0.0002151600000000 ] - [ -0.0017704800000000, -0.0000654000000000, -0.0001054800000000 ] - [ -0.0002626800000000, 0.0000564200000000, -0.0002232200000000 ] - [ 0.0000339600000000, -0.0004002900000000, -0.0000955800000000 ] - [ 0.0014000700000000, -0.0005953000000000, 0.0003955300000000 ] - [ 0.0002030900000000, 0.0002359300000000, -0.0003786900000000 ] - [ 0.0026992300000000, -0.0011757800000000, 0.0035004400000000 ] - [ -0.0002834400000000, 0.0001045700000000, -0.0001569400000000 ] - [ -0.0024832000000000, 0.0003647400000000, -0.0000802100000000 ] - [ 0.0000004600000000, -0.0000286300000000, -0.0004362300000000 ] - [ -0.0037968600000000, -0.0017328900000000, 0.0008399300000000 ] - [ 0.0000283700000000, -0.0000342500000000, -0.0006755700000000 ] - [ -0.0000108800000000, 0.0005665700000000, 0.0007909300000000 ] - [ 0.0074956100000000, 0.0076284700000000, -0.0068069900000000 ] - [ -0.0000782500000000, -0.0000258600000000, -0.0008398200000000 ] - [ 0.0001275600000000, 0.0000645500000000, -0.0001830300000000 ] - [ 0.0029544200000000, 0.0016099100000000, -0.0002835200000000 ] - [ -0.0001025700000000, 0.0000630400000000, -0.0001929400000000 ] - [ 0.0058321600000000, -0.0005339600000000, 0.0009745300000000 ] - [ -0.0000148300000000, -0.0000916000000000, -0.0002490200000000 ] - [ -0.0012926600000000, -0.0018802600000000, 0.0014412800000000 ] - [ 0.0003011900000000, 0.0004345300000000, -0.0010480100000000 ] - [ 0.0004461100000000, 0.0001577700000000, 0.0005549800000000 ] - [ -0.0001156300000000, 0.0004437000000000, 0.0003404400000000 ] - [ -0.0001951800000000, 0.0004862300000000, -0.0003568200000000 ] - [ -0.0005439700000000, -0.0008652200000000, -0.0002111000000000 ] - [ -0.0006493100000000, -0.0011809600000000, -0.0010409800000000 ] - [ 0.0001774300000000, 0.0009996100000000, -0.0008145800000000 ] - [ -0.0000730100000000, 0.0000414700000000, -0.0001375100000000 ] - [ 0.0000035100000000, -0.0000629000000000, -0.0001889700000000 ] - [ 0.0548489200000000, 0.0310645900000000, 0.0197959800000000 ] - [ 0.0001490200000000, 0.0004709500000000, -0.0002074600000000 ] - [ 0.0001357000000000, -0.0001735400000000, 0.0001234900000000 ] - [ -0.0000056100000000, 0.0005421900000000, 0.0005495100000000 ] - [ 0.0023487100000000, 0.0011988000000000, -0.0011180300000000 ] - [ -0.0007954900000000, -0.0009194300000000, -0.0007320400000000 ] - [ 0.0000214800000000, 0.0000344800000000, 0.0001108100000000 ] - [ -0.0000858700000000, 0.0000204900000000, -0.0004647000000000 ] - [ -0.0009319900000000, -0.0005677300000000, 0.0001975500000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003664600000000, -0.0008556100000000, -0.0009383300000000 ] - [ -0.0002934000000000, -0.0007382000000000, 0.0005616400000000 ] - [ -0.0009177600000000, 0.0000524500000000, -0.0003218700000000 ] - [ -0.0007705000000000, -0.0000963900000000, 0.0000458400000000 ] - [ -0.0001040900000000, 0.0000301000000000, -0.0002337600000000 ] - [ -0.0001153800000000, 0.0000694500000000, -0.0000323700000000 ] - [ 0.0002386000000000, -0.0000728400000000, -0.0011950300000000 ] - [ 0.0002206100000000, -0.0006522300000000, 0.0008407500000000 ] - [ 0.0002362200000000, 0.0000616700000000, -0.0001952200000000 ] - [ 0.0002981500000000, 0.0001112600000000, 0.0000421100000000 ] - [ -0.0000258700000000, 0.0000820300000000, -0.0000964900000000 ] - [ -0.0003323100000000, -0.0001439000000000, 0.0000058700000000 ] - [ 0.0013715300000000, -0.0014301700000000, 0.0027046700000000 ] - [ 0.0004793600000000, -0.0003502200000000, -0.0005870100000000 ] - [ 0.0009307800000000, 0.0009173000000000, 0.0000018700000000 ] - [ 0.0012583300000000, 0.0018193200000000, -0.0007562900000000 ] - [ -0.0007228600000000, 0.0002026700000000, 0.0005871400000000 ] - [ 0.0001057600000000, 0.0000526700000000, -0.0001445600000000 ] - [ -0.0000280300000000, -0.0000064600000000, -0.0001287200000000 ] - [ 0.0037275900000000, -0.0066016100000000, -0.0062377500000000 ] - [ -0.0001286300000000, 0.0003047900000000, 0.0001941500000000 ] - [ -0.0000681100000000, -0.0005298600000000, -0.0014206900000000 ] - [ 0.0002621600000000, 0.0000379300000000, 0.0000186700000000 ] - [ 0.0050148200000000, 0.0025098200000000, 0.0025976200000000 ] - [ 0.0002657700000000, -0.0006698000000000, 0.0001359400000000 ] - [ -0.0001419300000000, 0.0000166700000000, -0.0003068100000000 ] - [ -0.0007016700000000, 0.0011125400000000, -0.0012512900000000 ] - [ 0.0001250700000000, -0.0001373700000000, 0.0000311200000000 ] - [ 0.0009856500000000, 0.0010448700000000, 0.0004043400000000 ] - [ 0.0000155800000000, 0.0000427500000000, -0.0002269600000000 ] - [ -0.0002940300000000, -0.0000045400000000, -0.0003504400000000 ] - [ -0.0021154100000000, 0.0000618000000000, -0.0011527600000000 ] - [ 0.0000670500000000, 0.0001563400000000, -0.0003649200000000 ] - [ -0.0020999900000000, -0.0009017600000000, 0.0025001900000000 ] - [ 0.0000328000000000, -0.0001681400000000, -0.0002887000000000 ] - [ -0.0003219100000000, -0.0011586500000000, 0.0004733100000000 ] - [ -0.0036433500000000, -0.0012306100000000, -0.0027197800000000 ] - [ 0.0000569000000000, 0.0000762100000000, -0.0000409500000000 ] - [ -0.0018598500000000, -0.0000681500000000, 0.0012627400000000 ] - [ -0.0001574200000000, -0.0000346000000000, -0.0000470500000000 ] - [ -0.0005921400000000, -0.0006034100000000, 0.0000990400000000 ] - [ 0.0001662900000000, -0.0001477200000000, -0.0002308500000000 ] - [ 0.0673766500000000, 0.0390555500000000, 0.0178813500000000 ] - [ 0.0000705000000000, 0.0000679400000000, -0.0001713200000000 ] - [ 0.0037294500000000, 0.0005696300000000, 0.0015044100000000 ] - [ 0.0000476100000000, -0.0000908100000000, -0.0001224300000000 ] - [ -0.0009122000000000, -0.0032063500000000, -0.0022310100000000 ] - [ -0.0000929200000000, 0.0000094900000000, -0.0001400800000000 ] - [ -0.0000606200000000, 0.0000042800000000, -0.0003094300000000 ] - [ 0.0006055300000000, 0.0045843900000000, 0.0002185500000000 ] - [ 0.0000129300000000, -0.0000243100000000, -0.0002961800000000 ] - [ 0.0019662400000000, -0.0006423900000000, 0.0002153300000000 ] - [ -0.0000037400000000, 0.0000668000000000, -0.0003039800000000 ] - [ -0.0036700500000000, 0.0016160400000000, 0.0001948800000000 ] - [ -0.0034288400000000, 0.0010364600000000, 0.0017797100000000 ] - [ 0.0000012700000000, -0.0002173800000000, 0.0002002600000000 ] - [ -0.0003607700000000, -0.0001862900000000, -0.0000174800000000 ] - [ -0.0002178700000000, 0.0001563000000000, 0.0002094200000000 ] - [ 0.0017471700000000, 0.0001728800000000, 0.0001087200000000 ] - [ 0.0002294200000000, 0.0000526000000000, 0.0002178200000000 ] - [ -0.0000719000000000, 0.0002932600000000, 0.0001046800000000 ] - [ -0.0014523900000000, 0.0004998900000000, -0.0003950600000000 ] - [ -0.0000926900000000, -0.0002154300000000, 0.0003870400000000 ] - [ -0.0026129400000000, 0.0011919200000000, -0.0034755000000000 ] - [ 0.0002102500000000, -0.0000184700000000, 0.0001634200000000 ] - [ 0.0024229700000000, -0.0002876000000000, 0.0000759300000000 ] - [ -0.0000003900000000, 0.0000281300000000, 0.0004390100000000 ] - [ 0.0038070600000000, 0.0017474500000000, -0.0008430400000000 ] - [ -0.0000266900000000, 0.0000339200000000, 0.0003539200000000 ] - [ 0.0000224100000000, -0.0005723700000000, -0.0011358600000000 ] - [ -0.0075245000000000, -0.0075605200000000, 0.0069946700000000 ] - [ 0.0000775400000000, 0.0000269500000000, 0.0011744800000000 ] - [ -0.0000929800000000, -0.0000031700000000, 0.0001841100000000 ] - [ -0.0032189600000000, -0.0013096000000000, 0.0003278600000000 ] - [ 0.0000328200000000, -0.0000650000000000, 0.0001935200000000 ] - [ -0.0055024300000000, 0.0002957800000000, -0.0009304000000000 ] - [ 0.0000505000000000, 0.0000311000000000, 0.0002503500000000 ] - [ 0.0013391300000000, 0.0018281900000000, -0.0014512100000000 ] - [ -0.0003122800000000, -0.0004459400000000, 0.0010556000000000 ] - [ -0.0004597300000000, -0.0001696100000000, -0.0005579000000000 ] - [ 0.0001336800000000, -0.0004521400000000, -0.0003380300000000 ] - [ 0.0002124400000000, -0.0004916900000000, 0.0003551300000000 ] - [ 0.0005405500000000, 0.0008829900000000, 0.0002123500000000 ] - [ 0.0006440400000000, 0.0011997300000000, 0.0010488400000000 ] - [ -0.0001564000000000, -0.0010128700000000, 0.0008870600000000 ] - [ 0.0000770300000000, -0.0000432800000000, 0.0002000700000000 ] - [ -0.0000069900000000, 0.0000652000000000, 0.0001268000000000 ] - [ -0.0542914800000000, -0.0300861100000000, -0.0191418900000000 ] - [ -0.0001450500000000, -0.0004750300000000, 0.0002866400000000 ] - [ -0.0001312600000000, 0.0001711800000000, -0.0000494300000000 ] - [ -0.0000022200000000, -0.0005356600000000, -0.0006264100000000 ] - [ -0.0023517100000000, -0.0011863200000000, 0.0010520300000000 ] - [ 0.0007913800000000, 0.0009315000000000, 0.0006895800000000 ] - [ -0.0000251500000000, -0.0000339500000000, -0.0001651000000000 ] - [ 0.0000877100000000, -0.0000228100000000, 0.0005223300000000 ] - [ 0.0009309600000000, 0.0005751400000000, -0.0001525300000000 ]- atom: 43 displacement: [ -0.0049999999973645, 0.0086602540393660, 0.0000000000000000 ] forces: - [ -0.0001613000000000, -0.0002524300000000, -0.0002642000000000 ] - [ -0.0001596900000000, -0.0001032600000000, 0.0003505500000000 ] - [ 0.0001717900000000, -0.0001184000000000, 0.0010677600000000 ] - [ -0.0001625300000000, 0.0001125400000000, -0.0010847200000000 ] - [ 0.0000692600000000, -0.0001733800000000, 0.0001122100000000 ] - [ 0.0000361100000000, -0.0001828100000000, 0.0000109400000000 ] - [ -0.0004254500000000, 0.0004565400000000, 0.0006742900000000 ] - [ 0.0000470600000000, 0.0001723000000000, -0.0004181100000000 ] - [ -0.0001635400000000, 0.0000390000000000, 0.0001407200000000 ] - [ -0.0002353400000000, 0.0000516600000000, -0.0001530800000000 ] - [ 0.0002817400000000, 0.0004827900000000, 0.0003551500000000 ] - [ 0.0002909600000000, 0.0001900200000000, -0.0000978300000000 ] - [ -0.0000550200000000, 0.0002489100000000, 0.0000637500000000 ] - [ 0.0001097100000000, -0.0001705400000000, 0.0000836900000000 ] - [ -0.0003430400000000, -0.0009976200000000, 0.0001411700000000 ] - [ -0.0009508300000000, -0.0011855900000000, 0.0006567000000000 ] - [ 0.0015103600000000, -0.0007571800000000, -0.0022986000000000 ] - [ 0.0004378300000000, -0.0003210800000000, 0.0006266800000000 ] - [ -0.0000801100000000, -0.0000455900000000, 0.0002541900000000 ] - [ 0.0076672700000000, -0.0020752500000000, 0.0041160100000000 ] - [ -0.0000119000000000, -0.0000858400000000, 0.0001467700000000 ] - [ -0.0008787400000000, -0.0049364400000000, -0.0025564000000000 ] - [ -0.0001730500000000, 0.0000159600000000, -0.0000297800000000 ] - [ 0.0016632800000000, 0.0007283300000000, 0.0020345700000000 ] - [ 0.0000332200000000, 0.0006059000000000, -0.0001955800000000 ] - [ 0.0001698900000000, -0.0000078500000000, 0.0000865200000000 ] - [ -0.0014920500000000, 0.0019274700000000, -0.0000662100000000 ] - [ -0.0000849600000000, 0.0001660800000000, -0.0000284400000000 ] - [ 0.0001924100000000, 0.0021903900000000, 0.0007530000000000 ] - [ -0.0000092800000000, -0.0000020300000000, 0.0000242800000000 ] - [ 0.0001909600000000, 0.0000165500000000, 0.0002424500000000 ] - [ -0.0021296600000000, -0.0002323500000000, -0.0021715200000000 ] - [ 0.0000414300000000, -0.0000652500000000, 0.0000988300000000 ] - [ -0.0005239500000000, -0.0016183200000000, 0.0012228200000000 ] - [ -0.0000074900000000, 0.0000316800000000, 0.0001031700000000 ] - [ 0.0004094200000000, 0.0005354600000000, -0.0002613100000000 ] - [ -0.0007991700000000, -0.0017503200000000, -0.0011729600000000 ] - [ 0.0000011900000000, -0.0000189500000000, 0.0001920800000000 ] - [ -0.0018001900000000, -0.0001483000000000, 0.0016222600000000 ] - [ 0.0001691800000000, -0.0000396800000000, 0.0000061000000000 ] - [ 0.0010069900000000, 0.0005368800000000, -0.0002691800000000 ] - [ -0.0000502200000000, 0.0000926300000000, 0.0002737600000000 ] - [ -0.0006962100000000, -0.0662690100000000, -0.0166025900000000 ] - [ 0.0000256400000000, -0.0000027200000000, 0.0002916600000000 ] - [ 0.0032497000000000, 0.0019346700000000, 0.0024993800000000 ] - [ 0.0000170700000000, -0.0000206600000000, 0.0002731900000000 ] - [ 0.0004663300000000, -0.0039507000000000, -0.0016017200000000 ] - [ -0.0000173400000000, -0.0000084400000000, 0.0002547100000000 ] - [ -0.0000343700000000, 0.0000023500000000, 0.0000925900000000 ] - [ -0.0001068000000000, 0.0042329200000000, -0.0005280700000000 ] - [ 0.0000331800000000, -0.0000132000000000, 0.0000894200000000 ] - [ 0.0004491100000000, 0.0074877400000000, -0.0002406100000000 ] - [ 0.0000421100000000, 0.0000841700000000, 0.0000755900000000 ] - [ -0.0033074900000000, 0.0023940000000000, -0.0004738800000000 ] - [ -0.0019234700000000, 0.0015888700000000, -0.0015242500000000 ] - [ 0.0001428200000000, 0.0001194600000000, -0.0000784000000000 ] - [ 0.0005061100000000, -0.0014640800000000, 0.0001438900000000 ] - [ 0.0000771400000000, -0.0001596600000000, -0.0001836500000000 ] - [ -0.0000054200000000, 0.0001783600000000, 0.0002148900000000 ] - [ -0.0002013600000000, 0.0000765500000000, -0.0002358700000000 ] - [ 0.0000438000000000, -0.0001864900000000, -0.0001286800000000 ] - [ 0.0008192500000000, -0.0016799600000000, -0.0002079100000000 ] - [ 0.0001325000000000, 0.0002244000000000, -0.0003628400000000 ] - [ -0.0023410100000000, 0.0022170000000000, 0.0019126400000000 ] - [ -0.0002629300000000, 0.0000535300000000, -0.0000211100000000 ] - [ -0.0004859100000000, 0.0013372600000000, 0.0003136900000000 ] - [ 0.0000330500000000, 0.0000117000000000, -0.0002981000000000 ] - [ 0.0012894700000000, 0.0009422600000000, 0.0005025100000000 ] - [ 0.0000142400000000, -0.0000040000000000, -0.0006650700000000 ] - [ 0.0001517700000000, -0.0014704200000000, 0.0007740800000000 ] - [ 0.0025372600000000, 0.0068200900000000, -0.0042504500000000 ] - [ 0.0000271400000000, -0.0000596200000000, -0.0005518700000000 ] - [ 0.0000704000000000, 0.0000295900000000, -0.0001433100000000 ] - [ -0.0032675700000000, 0.0035509300000000, 0.0017220200000000 ] - [ -0.0000967400000000, 0.0000478200000000, -0.0001549500000000 ] - [ -0.0013425700000000, 0.0027637100000000, 0.0000893900000000 ] - [ 0.0000002700000000, -0.0000761700000000, -0.0001896400000000 ] - [ -0.0013558100000000, -0.0016874100000000, 0.0012093300000000 ] - [ 0.0003067100000000, -0.0000127500000000, 0.0003878900000000 ] - [ 0.0003465000000000, 0.0000889600000000, -0.0004058200000000 ] - [ 0.0002302900000000, 0.0004201900000000, -0.0007028600000000 ] - [ -0.0000896900000000, 0.0002666700000000, 0.0003731500000000 ] - [ -0.0004208500000000, -0.0006585900000000, -0.0002332300000000 ] - [ -0.0002576100000000, -0.0010064200000000, -0.0007287900000000 ] - [ 0.0010442100000000, -0.0015195700000000, -0.0007241000000000 ] - [ -0.0000375000000000, -0.0000223700000000, -0.0001331700000000 ] - [ -0.0000582300000000, -0.0000000100000000, -0.0001602800000000 ] - [ -0.0004996800000000, 0.0485386200000000, 0.0169435400000000 ] - [ -0.0000369100000000, -0.0009720600000000, -0.0003112800000000 ] - [ -0.0000270800000000, -0.0000553700000000, 0.0000138600000000 ] - [ 0.0004894700000000, 0.0000286200000000, 0.0003490500000000 ] - [ -0.0000975100000000, 0.0020211500000000, -0.0008763800000000 ] - [ 0.0004469000000000, 0.0004323600000000, -0.0000320400000000 ] - [ -0.0003114300000000, -0.0000481200000000, 0.0001456400000000 ] - [ -0.0003279900000000, -0.0001094200000000, -0.0002843600000000 ] - [ 0.0008145100000000, 0.0002506400000000, -0.0000293400000000 ]- atom: 43 displacement: [ 0.0049999999973645, -0.0086602540393660, 0.0000000000000000 ] forces: - [ 0.0001856700000000, 0.0002970800000000, 0.0002642000000000 ] - [ 0.0001843800000000, 0.0001461500000000, -0.0003468000000000 ] - [ -0.0002197700000000, 0.0001210500000000, -0.0010770900000000 ] - [ 0.0001255200000000, -0.0001122500000000, 0.0010879300000000 ] - [ -0.0000427300000000, 0.0001301100000000, -0.0001148200000000 ] - [ -0.0000088000000000, 0.0001382700000000, -0.0000112800000000 ] - [ 0.0003874000000000, -0.0004604400000000, -0.0007822800000000 ] - [ -0.0000929300000000, -0.0001700200000000, 0.0003212300000000 ] - [ 0.0001800800000000, -0.0000020200000000, -0.0002404000000000 ] - [ 0.0002478700000000, -0.0000141400000000, 0.0000619700000000 ] - [ -0.0002591000000000, -0.0005188600000000, -0.0004567300000000 ] - [ -0.0002678500000000, -0.0002219200000000, 0.0000056000000000 ] - [ 0.0000991700000000, -0.0002377000000000, 0.0000566800000000 ] - [ -0.0000821800000000, 0.0002003500000000, 0.0000112300000000 ] - [ 0.0003052800000000, 0.0010111700000000, -0.0000354300000000 ] - [ 0.0009199000000000, 0.0011998100000000, -0.0005777000000000 ] - [ -0.0015039500000000, 0.0007293600000000, 0.0023995800000000 ] - [ -0.0004257700000000, 0.0002842300000000, -0.0005286600000000 ] - [ 0.0000411200000000, -0.0000459800000000, -0.0001047600000000 ] - [ -0.0076568200000000, 0.0019442400000000, -0.0039123000000000 ] - [ -0.0000485100000000, 0.0001692700000000, 0.0000038100000000 ] - [ 0.0008095400000000, 0.0050364600000000, 0.0027463800000000 ] - [ 0.0002745200000000, -0.0000047300000000, 0.0001800500000000 ] - [ -0.0015424900000000, -0.0007113200000000, -0.0018324400000000 ] - [ 0.0000579800000000, -0.0006160100000000, 0.0000409300000000 ] - [ -0.0000753900000000, -0.0000031000000000, -0.0002366500000000 ] - [ 0.0014470800000000, -0.0018309300000000, -0.0000966000000000 ] - [ 0.0000435200000000, -0.0000721600000000, -0.0001235700000000 ] - [ -0.0002544400000000, -0.0022753900000000, -0.0009170900000000 ] - [ -0.0000477100000000, -0.0000721600000000, -0.0001742100000000 ] - [ -0.0002284400000000, 0.0000162400000000, -0.0003393300000000 ] - [ 0.0021197400000000, 0.0002712900000000, 0.0021061200000000 ] - [ 0.0000043500000000, 0.0000766800000000, -0.0001926200000000 ] - [ 0.0005698600000000, 0.0016149000000000, -0.0012996800000000 ] - [ -0.0000069000000000, -0.0000787900000000, -0.0001973800000000 ] - [ -0.0004170700000000, -0.0005846200000000, 0.0001731300000000 ] - [ 0.0008093500000000, 0.0017904500000000, 0.0012709500000000 ] - [ -0.0000124300000000, 0.0000652800000000, -0.0001000500000000 ] - [ 0.0017895900000000, 0.0001172300000000, -0.0015526300000000 ] - [ -0.0002019600000000, 0.0000042200000000, 0.0000850000000000 ] - [ -0.0009626000000000, -0.0005487100000000, 0.0003611100000000 ] - [ 0.0000985100000000, -0.0001075700000000, -0.0001818600000000 ] - [ 0.0003031500000000, 0.0661163600000000, 0.0164030400000000 ] - [ 0.0000385900000000, 0.0000796400000000, -0.0001036500000000 ] - [ -0.0031260700000000, -0.0019416200000000, -0.0022688800000000 ] - [ 0.0000186200000000, -0.0000713400000000, -0.0000849900000000 ] - [ -0.0005652800000000, 0.0040056900000000, 0.0017794900000000 ] - [ -0.0000782200000000, 0.0000251400000000, -0.0000676300000000 ] - [ -0.0000636700000000, -0.0000184000000000, -0.0002844000000000 ] - [ 0.0000044800000000, -0.0042611100000000, 0.0003434200000000 ] - [ 0.0000288000000000, -0.0000613800000000, -0.0002809900000000 ] - [ -0.0004075000000000, -0.0076020800000000, 0.0000551000000000 ] - [ -0.0000082900000000, 0.0000075200000000, -0.0002671500000000 ] - [ 0.0032867500000000, -0.0022772100000000, 0.0002889000000000 ] - [ 0.0019973100000000, -0.0017240400000000, 0.0014121800000000 ] - [ -0.0000298200000000, -0.0001459300000000, 0.0000750700000000 ] - [ -0.0005947500000000, 0.0013839100000000, -0.0001345700000000 ] - [ -0.0001544700000000, 0.0000741300000000, 0.0001779700000000 ] - [ -0.0000195800000000, -0.0000652300000000, -0.0002158000000000 ] - [ 0.0001675800000000, 0.0000326800000000, 0.0002305200000000 ] - [ -0.0000828900000000, 0.0000803300000000, 0.0001358500000000 ] - [ -0.0008747600000000, 0.0015805700000000, 0.0002013600000000 ] - [ -0.0000213000000000, -0.0002054000000000, 0.0003724900000000 ] - [ 0.0024477400000000, -0.0022022700000000, -0.0018753400000000 ] - [ 0.0001894400000000, 0.0000336000000000, 0.0000292000000000 ] - [ 0.0004268200000000, -0.0012582100000000, -0.0003155700000000 ] - [ -0.0000330900000000, -0.0000113000000000, 0.0003011200000000 ] - [ -0.0013171100000000, -0.0009445200000000, -0.0005029700000000 ] - [ -0.0000131900000000, 0.0000038700000000, 0.0003465400000000 ] - [ -0.0001422000000000, 0.0014663400000000, -0.0011269200000000 ] - [ -0.0025153600000000, -0.0068685300000000, 0.0045452700000000 ] - [ -0.0000273600000000, 0.0000609200000000, 0.0008868300000000 ] - [ -0.0000358600000000, 0.0000319600000000, 0.0001447700000000 ] - [ 0.0028750800000000, -0.0031539600000000, -0.0016659700000000 ] - [ 0.0000271200000000, -0.0000496200000000, 0.0001559100000000 ] - [ 0.0016809300000000, -0.0030039700000000, -0.0000485500000000 ] - [ 0.0000357700000000, 0.0000156600000000, 0.0001913900000000 ] - [ 0.0014033100000000, 0.0016354700000000, -0.0012219900000000 ] - [ -0.0003207800000000, 0.0000059300000000, -0.0003871800000000 ] - [ -0.0003584600000000, -0.0000981200000000, 0.0004024900000000 ] - [ -0.0002175500000000, -0.0004282000000000, 0.0007110800000000 ] - [ 0.0001066600000000, -0.0002718600000000, -0.0003768700000000 ] - [ 0.0004237900000000, 0.0006791000000000, 0.0002358700000000 ] - [ 0.0002547700000000, 0.0010240800000000, 0.0007384600000000 ] - [ -0.0010352500000000, 0.0015071400000000, 0.0008007900000000 ] - [ 0.0000412500000000, 0.0000209000000000, 0.0001967100000000 ] - [ 0.0000547100000000, 0.0000027600000000, 0.0000979600000000 ] - [ 0.0008297100000000, -0.0483313900000000, -0.0168137100000000 ] - [ 0.0000454500000000, 0.0009721400000000, 0.0003952000000000 ] - [ 0.0000331300000000, 0.0000518200000000, 0.0000615300000000 ] - [ -0.0004913600000000, -0.0000276100000000, -0.0004286400000000 ] - [ 0.0000929200000000, -0.0020248900000000, 0.0008120900000000 ] - [ -0.0004441800000000, -0.0004348800000000, -0.0000200400000000 ] - [ 0.0003089400000000, 0.0000490400000000, -0.0001996200000000 ] - [ 0.0003322800000000, 0.0001101100000000, 0.0003415600000000 ] - [ -0.0008193300000000, -0.0002487300000000, 0.0000778000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000223600000000, 0.0000937900000000, 0.0004703800000000 ] - [ -0.0000127900000000, 0.0001973700000000, 0.0004020100000000 ] - [ 0.0012832700000000, -0.0001561600000000, 0.0008746900000000 ] - [ -0.0016571800000000, 0.0000401400000000, 0.0012225500000000 ] - [ -0.0001077100000000, 0.0001952200000000, 0.0002152100000000 ] - [ 0.0000666300000000, -0.0001523900000000, 0.0004365100000000 ] - [ -0.0008449300000000, 0.0009355500000000, 0.0011337100000000 ] - [ 0.0010645000000000, -0.0015242900000000, 0.0010274500000000 ] - [ 0.0003302300000000, 0.0000142200000000, 0.0001218300000000 ] - [ -0.0004764700000000, 0.0000180700000000, 0.0000655900000000 ] - [ -0.0000756300000000, -0.0001943100000000, 0.0002225300000000 ] - [ 0.0004726000000000, 0.0003560200000000, 0.0001832400000000 ] - [ 0.0021477300000000, -0.0019533500000000, 0.0040756900000000 ] - [ -0.0004807000000000, 0.0004895900000000, 0.0012675000000000 ] - [ 0.0000204400000000, -0.0002184900000000, 0.0033384900000000 ] - [ -0.0008412000000000, -0.0010353700000000, 0.0028319500000000 ] - [ -0.0026333900000000, 0.0015327000000000, 0.0042671900000000 ] - [ 0.0006127300000000, -0.0003283900000000, 0.0012723000000000 ] - [ -0.0003284900000000, -0.0004517300000000, 0.0016219900000000 ] - [ 0.0088616100000000, 0.0117739700000000, 0.0042183200000000 ] - [ -0.0001489500000000, 0.0003460000000000, 0.0014554100000000 ] - [ 0.0017026800000000, 0.0019642400000000, 0.0008531500000000 ] - [ 0.0003750900000000, -0.0000421900000000, 0.0014681100000000 ] - [ 0.0013030000000000, 0.0021724100000000, 0.0007511500000000 ] - [ -0.0006944100000000, 0.0010760400000000, -0.0011295000000000 ] - [ 0.0003737300000000, -0.0000485600000000, 0.0008914800000000 ] - [ 0.0002388600000000, -0.0002606600000000, -0.0011472500000000 ] - [ 0.0001088500000000, -0.0001008200000000, 0.0010984000000000 ] - [ -0.0005245700000000, 0.0015072700000000, -0.0006963100000000 ] - [ -0.0000888900000000, -0.0001768600000000, 0.0008071900000000 ] - [ 0.0002208500000000, 0.0000540800000000, 0.0009131900000000 ] - [ -0.0003338100000000, -0.0001472000000000, -0.0011935000000000 ] - [ 0.0000088000000000, -0.0000899800000000, 0.0008143300000000 ] - [ -0.0012045100000000, 0.0001282300000000, -0.0007627700000000 ] - [ -0.0000576100000000, 0.0000279400000000, 0.0007940600000000 ] - [ -0.0009268500000000, 0.0005004400000000, -0.0010547100000000 ] - [ 0.0025910000000000, 0.0002141000000000, -0.0000298800000000 ] - [ 0.0000588100000000, 0.0001657200000000, 0.0009859000000000 ] - [ 0.0002716800000000, 0.0000479000000000, -0.0010825600000000 ] - [ -0.0004869200000000, 0.0000178800000000, 0.0011619000000000 ] - [ 0.0014659600000000, 0.0005505500000000, -0.0012063300000000 ] - [ -0.0000779600000000, -0.0000597700000000, 0.0011804500000000 ] - [ -0.0187472100000000, -0.0303794900000000, -0.0790112600000000 ] - [ 0.0002962700000000, 0.0004185500000000, 0.0014509000000000 ] - [ -0.0016839100000000, -0.0017902900000000, -0.0069259400000000 ] - [ 0.0001782500000000, -0.0004075500000000, 0.0014411400000000 ] - [ -0.0010169500000000, -0.0022007200000000, -0.0069253200000000 ] - [ -0.0004418700000000, 0.0000296500000000, 0.0014407800000000 ] - [ 0.0003521500000000, 0.0000066300000000, 0.0009278700000000 ] - [ -0.0007918200000000, 0.0000630000000000, -0.0012622100000000 ] - [ -0.0001697200000000, 0.0002919100000000, 0.0009382100000000 ] - [ 0.0003419900000000, -0.0003691500000000, -0.0033432900000000 ] - [ -0.0001540300000000, -0.0002931100000000, 0.0009125500000000 ] - [ 0.0004077000000000, 0.0005925600000000, -0.0014394100000000 ] - [ -0.0008934600000000, -0.0031727800000000, -0.0001350900000000 ] - [ 0.0000337300000000, 0.0002794700000000, -0.0015272600000000 ] - [ -0.0007856500000000, 0.0007515900000000, 0.0012411200000000 ] - [ 0.0002004800000000, -0.0001371400000000, -0.0011309500000000 ] - [ 0.0008663200000000, 0.0001626400000000, 0.0011723300000000 ] - [ -0.0002015200000000, -0.0000515800000000, -0.0011656400000000 ] - [ -0.0003394700000000, 0.0003532200000000, -0.0012162400000000 ] - [ 0.0018021600000000, -0.0016001300000000, 0.0008535500000000 ] - [ -0.0001430800000000, -0.0003597300000000, -0.0013968500000000 ] - [ 0.0007801000000000, 0.0008997300000000, 0.0003557200000000 ] - [ 0.0004898000000000, 0.0001295400000000, -0.0011999400000000 ] - [ -0.0020847800000000, 0.0009228800000000, 0.0009021200000000 ] - [ 0.0000073200000000, -0.0000042200000000, -0.0021524000000000 ] - [ -0.0004211900000000, -0.0000876800000000, 0.0035727300000000 ] - [ 0.0000098900000000, 0.0000002300000000, -0.0017978500000000 ] - [ -0.0005257500000000, 0.0004435900000000, 0.0015489400000000 ] - [ -0.0090344700000000, -0.0127812500000000, 0.0142527100000000 ] - [ -0.0000577000000000, -0.0000717100000000, -0.0030182000000000 ] - [ -0.0003561700000000, 0.0001867300000000, -0.0012747500000000 ] - [ -0.0012951300000000, 0.0009688800000000, 0.0043811400000000 ] - [ 0.0000081300000000, -0.0004022500000000, -0.0012750300000000 ] - [ 0.0007120400000000, -0.0005072800000000, 0.0049309800000000 ] - [ 0.0003357200000000, 0.0002547800000000, -0.0012992400000000 ] - [ -0.0008945000000000, -0.0010796600000000, 0.0038321200000000 ] - [ -0.0013161200000000, 0.0004431500000000, -0.0008399400000000 ] - [ 0.0010301400000000, -0.0004664600000000, -0.0006995200000000 ] - [ 0.0007990600000000, -0.0010490000000000, -0.0005612600000000 ] - [ -0.0006033200000000, 0.0007591600000000, -0.0005288400000000 ] - [ 0.0004521600000000, 0.0006327600000000, -0.0008515300000000 ] - [ -0.0004919500000000, -0.0011399900000000, -0.0019683100000000 ] - [ -0.0001377200000000, -0.0004111100000000, 0.0015848000000000 ] - [ -0.0000127900000000, -0.0000491800000000, -0.0012382600000000 ] - [ -0.0000241600000000, -0.0000250800000000, -0.0016818400000000 ] - [ 0.0194488400000000, 0.0306683700000000, 0.0567431400000000 ] - [ 0.0002469600000000, -0.0005841600000000, 0.0004939000000000 ] - [ -0.0002437900000000, 0.0002864900000000, -0.0010623400000000 ] - [ -0.0000349100000000, -0.0000146100000000, -0.0030896400000000 ] - [ 0.0020421400000000, 0.0026351500000000, -0.0046004000000000 ] - [ -0.0003338000000000, -0.0002974400000000, -0.0004761100000000 ] - [ 0.0004447700000000, -0.0000363400000000, -0.0009529800000000 ] - [ -0.0002558800000000, -0.0000532400000000, -0.0007404100000000 ] - [ 0.0006529900000000, 0.0001627800000000, -0.0003295500000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000479400000000, -0.0000494800000000, -0.0004693600000000 ] - [ 0.0000391800000000, -0.0001522600000000, -0.0004076300000000 ] - [ -0.0013475800000000, 0.0001596300000000, -0.0008798900000000 ] - [ 0.0015906800000000, -0.0000389800000000, -0.0012153700000000 ] - [ 0.0001345600000000, -0.0002400600000000, -0.0002145400000000 ] - [ -0.0000416600000000, 0.0001099400000000, -0.0004408200000000 ] - [ 0.0008176900000000, -0.0009541400000000, -0.0012376700000000 ] - [ -0.0010978700000000, 0.0015069800000000, -0.0011178800000000 ] - [ -0.0003209100000000, 0.0000233400000000, -0.0002144400000000 ] - [ 0.0004910900000000, 0.0000195000000000, -0.0001673500000000 ] - [ 0.0001022100000000, 0.0001670300000000, -0.0003156700000000 ] - [ -0.0004500900000000, -0.0003892200000000, -0.0002854300000000 ] - [ -0.0021400200000000, 0.0019936800000000, -0.0040106200000000 ] - [ 0.0005089600000000, -0.0004627300000000, -0.0011792500000000 ] - [ -0.0000606200000000, 0.0002233600000000, -0.0032648700000000 ] - [ 0.0008113600000000, 0.0010530400000000, -0.0027489000000000 ] - [ 0.0026661400000000, -0.0015849900000000, -0.0042021700000000 ] - [ -0.0006025400000000, 0.0002924900000000, -0.0011847000000000 ] - [ 0.0002942900000000, 0.0003669800000000, -0.0014835600000000 ] - [ -0.0088269200000000, -0.0117646900000000, -0.0040749600000000 ] - [ 0.0000909800000000, -0.0002683300000000, -0.0013137100000000 ] - [ -0.0016982900000000, -0.0018497100000000, -0.0006431000000000 ] - [ -0.0002788100000000, 0.0000535100000000, -0.0013262900000000 ] - [ -0.0011929800000000, -0.0020930700000000, -0.0005451500000000 ] - [ 0.0008042800000000, -0.0010989000000000, 0.0009928400000000 ] - [ -0.0002785800000000, 0.0000373800000000, -0.0010461700000000 ] - [ -0.0002796200000000, 0.0003515500000000, 0.0010169400000000 ] - [ -0.0001470100000000, 0.0001890000000000, -0.0012485400000000 ] - [ 0.0004717500000000, -0.0015955300000000, 0.0005606800000000 ] - [ 0.0000318000000000, 0.0001020300000000, -0.0009617000000000 ] - [ -0.0002576400000000, -0.0000209400000000, -0.0010110500000000 ] - [ 0.0002843700000000, 0.0001801800000000, 0.0010880900000000 ] - [ 0.0000357500000000, 0.0000997200000000, -0.0009090200000000 ] - [ 0.0012489900000000, -0.0001054000000000, 0.0006575300000000 ] - [ 0.0000421900000000, -0.0000732300000000, -0.0008892400000000 ] - [ 0.0009058800000000, -0.0005556100000000, 0.0009575400000000 ] - [ -0.0026152700000000, -0.0001656500000000, 0.0001370400000000 ] - [ -0.0000721600000000, -0.0001213600000000, -0.0008987300000000 ] - [ -0.0003119300000000, -0.0000840400000000, 0.0011903500000000 ] - [ 0.0004502200000000, -0.0000537100000000, -0.0010716500000000 ] - [ -0.0014337900000000, -0.0005669500000000, 0.0013112600000000 ] - [ 0.0001245800000000, 0.0000468500000000, -0.0010928700000000 ] - [ 0.0176144200000000, 0.0287369800000000, 0.0788103600000000 ] - [ -0.0002342500000000, -0.0003442900000000, -0.0012687200000000 ] - [ 0.0016973800000000, 0.0016811200000000, 0.0071410900000000 ] - [ -0.0001442200000000, 0.0003183300000000, -0.0012589900000000 ] - [ 0.0009111300000000, 0.0021910200000000, 0.0071417000000000 ] - [ 0.0003492700000000, -0.0000133400000000, -0.0012593300000000 ] - [ -0.0004526800000000, -0.0000227700000000, -0.0011217000000000 ] - [ 0.0007037000000000, -0.0000802400000000, 0.0010782100000000 ] - [ 0.0002323200000000, -0.0003681500000000, -0.0011310400000000 ] - [ -0.0002842000000000, 0.0003343400000000, 0.0031663800000000 ] - [ 0.0001886900000000, 0.0003869400000000, -0.0011060100000000 ] - [ -0.0003553400000000, -0.0005147900000000, 0.0012551100000000 ] - [ 0.0009426500000000, 0.0030276300000000, -0.0000331100000000 ] - [ 0.0000801700000000, -0.0003056700000000, 0.0015244600000000 ] - [ 0.0007185000000000, -0.0008459200000000, -0.0012673300000000 ] - [ -0.0002792400000000, 0.0000509000000000, 0.0011311600000000 ] - [ -0.0009154900000000, -0.0000539800000000, -0.0011974100000000 ] - [ 0.0001676600000000, 0.0001614100000000, 0.0011657800000000 ] - [ 0.0003050900000000, -0.0004675100000000, 0.0012273000000000 ] - [ -0.0018453500000000, 0.0014987700000000, -0.0008392700000000 ] - [ 0.0002580400000000, 0.0003865800000000, 0.0014103200000000 ] - [ -0.0007298700000000, -0.0009826700000000, -0.0001503000000000 ] - [ -0.0005724300000000, -0.0000431100000000, 0.0012105600000000 ] - [ 0.0020180200000000, -0.0008403400000000, -0.0008875100000000 ] - [ -0.0000080500000000, 0.0000038500000000, 0.0021602100000000 ] - [ 0.0004173800000000, 0.0000814200000000, -0.0035867300000000 ] - [ -0.0000086100000000, -0.0000006200000000, 0.0014741600000000 ] - [ 0.0005223900000000, -0.0004384300000000, -0.0018616400000000 ] - [ 0.0093906700000000, 0.0132835000000000, -0.0144324800000000 ] - [ 0.0000565000000000, 0.0000722400000000, 0.0033636100000000 ] - [ 0.0003938900000000, -0.0001256400000000, 0.0012796200000000 ] - [ 0.0013027700000000, -0.0009001400000000, -0.0044040300000000 ] - [ -0.0000789200000000, 0.0004036500000000, 0.0012795100000000 ] - [ -0.0007798400000000, 0.0004851500000000, -0.0049440100000000 ] - [ -0.0003022800000000, -0.0003180100000000, 0.0013050100000000 ] - [ 0.0009334000000000, 0.0010320600000000, -0.0038541900000000 ] - [ 0.0013254000000000, -0.0004588500000000, 0.0008431600000000 ] - [ -0.0010384900000000, 0.0004536400000000, 0.0007025400000000 ] - [ -0.0007954800000000, 0.0010596600000000, 0.0005636800000000 ] - [ 0.0006144700000000, -0.0007635800000000, 0.0005335700000000 ] - [ -0.0004631800000000, -0.0006279200000000, 0.0008607300000000 ] - [ 0.0004924300000000, 0.0011616200000000, 0.0019768000000000 ] - [ 0.0001410800000000, 0.0004221600000000, -0.0015606500000000 ] - [ 0.0000169000000000, 0.0000470500000000, 0.0013039300000000 ] - [ 0.0000207200000000, 0.0000283500000000, 0.0016275300000000 ] - [ -0.0185702500000000, -0.0293969900000000, -0.0559844100000000 ] - [ -0.0002481400000000, 0.0005878600000000, -0.0004313100000000 ] - [ 0.0002474900000000, -0.0002834000000000, 0.0011400900000000 ] - [ 0.0000314100000000, 0.0000181800000000, 0.0030370600000000 ] - [ -0.0020413100000000, -0.0026281900000000, 0.0045198500000000 ] - [ 0.0003351300000000, 0.0002979600000000, 0.0004217600000000 ] - [ -0.0004408200000000, 0.0000394400000000, 0.0009043000000000 ] - [ 0.0002610900000000, 0.0000530000000000, 0.0007945900000000 ] - [ -0.0006423300000000, -0.0001674600000000, 0.0003860700000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015739100000000, -0.0013897400000000, -0.0020041200000000 ] - [ -0.0000868700000000, -0.0001737800000000, 0.0000831400000000 ] - [ 0.0036716500000000, -0.0002808700000000, 0.0048147500000000 ] - [ 0.0000947900000000, 0.0000126400000000, -0.0001000800000000 ] - [ -0.0017863800000000, 0.0021475600000000, -0.0026696000000000 ] - [ -0.0001368600000000, 0.0002317200000000, 0.0001018800000000 ] - [ 0.0032220400000000, 0.0008183000000000, 0.0000005000000000 ] - [ 0.0000592500000000, -0.0000254500000000, -0.0004020600000000 ] - [ -0.0010682800000000, 0.0005985500000000, 0.0005385000000000 ] - [ -0.0001607600000000, -0.0000495600000000, -0.0003968900000000 ] - [ 0.0013564500000000, 0.0028063400000000, 0.0020006900000000 ] - [ 0.0000296000000000, 0.0000900600000000, -0.0003898100000000 ] - [ -0.0000996900000000, -0.0010610700000000, 0.0006718900000000 ] - [ 0.0000812400000000, -0.0001522900000000, -0.0001688000000000 ] - [ 0.0048919600000000, 0.0006852700000000, -0.0004729000000000 ] - [ 0.0000422800000000, 0.0000656100000000, -0.0001493400000000 ] - [ -0.0008899900000000, -0.0007054500000000, 0.0004353700000000 ] - [ -0.0000745200000000, -0.0000018800000000, -0.0001524900000000 ] - [ -0.0009822300000000, -0.0011943600000000, 0.0008695200000000 ] - [ -0.0006193000000000, -0.0006398300000000, -0.0004150400000000 ] - [ -0.0000133400000000, 0.0000001600000000, 0.0005521800000000 ] - [ 0.0000815300000000, -0.0002079700000000, -0.0003286000000000 ] - [ 0.0004775800000000, -0.0001252700000000, 0.0001648300000000 ] - [ 0.0002555900000000, -0.0000907700000000, -0.0000649300000000 ] - [ 0.0029478500000000, -0.0000720900000000, -0.0001429200000000 ] - [ 0.0001333700000000, 0.0000134900000000, -0.0001906500000000 ] - [ -0.0011469700000000, 0.0019350800000000, -0.0001191200000000 ] - [ -0.0001061600000000, 0.0001553900000000, -0.0001906000000000 ] - [ 0.0107271100000000, 0.0003987100000000, 0.0001093600000000 ] - [ -0.0000691700000000, -0.0001483000000000, -0.0002069400000000 ] - [ -0.0027631000000000, 0.0001000700000000, -0.0013975100000000 ] - [ -0.0017018800000000, 0.0000252200000000, 0.0008162600000000 ] - [ 0.0006997400000000, 0.0010125200000000, -0.0010753000000000 ] - [ 0.0004233400000000, 0.0006896400000000, 0.0011479800000000 ] - [ 0.0005655100000000, -0.0010375000000000, -0.0013069800000000 ] - [ 0.0002687500000000, -0.0005431500000000, 0.0012966600000000 ] - [ 0.0000301400000000, 0.0009171200000000, -0.0005261800000000 ] - [ 0.0000721600000000, 0.0001620000000000, -0.0001784900000000 ] - [ -0.0045689700000000, -0.0001462400000000, 0.0014110100000000 ] - [ -0.0001418000000000, -0.0000377100000000, -0.0002145900000000 ] - [ 0.0075662500000000, 0.0037793600000000, -0.0014468100000000 ] - [ 0.0001220200000000, -0.0001438900000000, -0.0001754800000000 ] - [ 0.0035173300000000, -0.0001944500000000, -0.0007830900000000 ] - [ 0.0000852000000000, 0.0001674300000000, 0.0000704800000000 ] - [ 0.0001181500000000, -0.0009975100000000, -0.0002593500000000 ] - [ 0.0001278600000000, -0.0002528700000000, 0.0000949900000000 ] - [ -0.0007158200000000, -0.0007151900000000, -0.0002231200000000 ] - [ -0.0001717600000000, 0.0000303500000000, 0.0000562700000000 ] - [ -0.0004053400000000, -0.0001168300000000, 0.0000987400000000 ] - [ -0.0007911800000000, 0.0007043700000000, -0.0005231800000000 ] - [ 0.0001787600000000, -0.0002113700000000, 0.0001054000000000 ] - [ 0.0027055200000000, 0.0011747700000000, -0.0008184700000000 ] - [ 0.0001376600000000, 0.0003185600000000, 0.0000957800000000 ] - [ 0.0013716500000000, 0.0025770600000000, -0.0018922100000000 ] - [ -0.0744354000000000, -0.0030540600000000, -0.0034537900000000 ] - [ -0.0001105500000000, 0.0000084000000000, 0.0001346100000000 ] - [ 0.0044165500000000, 0.0016371700000000, -0.0003082800000000 ] - [ 0.0000690700000000, 0.0001136200000000, 0.0001182700000000 ] - [ 0.0017098700000000, -0.0032016500000000, -0.0001534000000000 ] - [ 0.0000554900000000, -0.0001219800000000, 0.0001197500000000 ] - [ 0.0008261600000000, 0.0012906100000000, 0.0003030600000000 ] - [ 0.0004561000000000, 0.0004869700000000, 0.0000419700000000 ] - [ -0.0028474700000000, 0.0000851300000000, -0.0002277600000000 ] - [ -0.0011568300000000, 0.0001043400000000, 0.0004157500000000 ] - [ 0.0007617700000000, -0.0013544300000000, 0.0001105600000000 ] - [ 0.0002601400000000, -0.0005544400000000, 0.0003145700000000 ] - [ -0.0000973800000000, -0.0000158000000000, 0.0014303700000000 ] - [ 0.0060992500000000, -0.0008132400000000, -0.0090409000000000 ] - [ 0.0002211300000000, -0.0001812900000000, -0.0021725500000000 ] - [ 0.0001121500000000, -0.0000760200000000, 0.0015547300000000 ] - [ 0.0020011400000000, 0.0084020100000000, 0.0006770700000000 ] - [ 0.0000075500000000, -0.0000164800000000, 0.0003897400000000 ] - [ -0.0001650300000000, -0.0003773700000000, 0.0001975000000000 ] - [ -0.0007339500000000, -0.0033571500000000, -0.0017448500000000 ] - [ 0.0004801400000000, 0.0000314300000000, 0.0001626900000000 ] - [ 0.0082405700000000, 0.0012386100000000, 0.0060192200000000 ] - [ -0.0002506200000000, 0.0003738100000000, 0.0001892700000000 ] - [ -0.0019895400000000, 0.0048389600000000, -0.0033929900000000 ] - [ -0.0009868300000000, -0.0048635100000000, 0.0021418100000000 ] - [ -0.0001531700000000, -0.0002275000000000, 0.0000667300000000 ] - [ 0.0087837800000000, 0.0009766600000000, -0.0045424800000000 ] - [ 0.0002928600000000, -0.0000181200000000, 0.0001463800000000 ] - [ -0.0012885300000000, 0.0071078300000000, 0.0048751500000000 ] - [ -0.0001578700000000, 0.0002580900000000, 0.0000596500000000 ] - [ 0.0002078300000000, -0.0082974900000000, 0.0041353000000000 ] - [ 0.0000155700000000, -0.0000073900000000, 0.0000748200000000 ] - [ -0.0001297300000000, 0.0000644000000000, -0.0002594000000000 ] - [ 0.0007506000000000, -0.0001087200000000, 0.0008461900000000 ] - [ 0.0009404200000000, -0.0095989600000000, -0.0042197500000000 ] - [ 0.0000122200000000, 0.0000030200000000, 0.0002765000000000 ] - [ 0.0008082100000000, 0.0003848000000000, -0.0016786000000000 ] - [ -0.0000851500000000, 0.0000940100000000, 0.0002772900000000 ] - [ 0.0188919500000000, -0.0020337300000000, 0.0064814400000000 ] - [ -0.0000586800000000, 0.0000057000000000, 0.0000123100000000 ] - [ 0.0020447800000000, -0.0000719800000000, 0.0037153100000000 ] - [ 0.0001933700000000, -0.0000561800000000, -0.0002438200000000 ]- atom: 55 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016021100000000, 0.0014408500000000, 0.0020160300000000 ] - [ 0.0001136500000000, 0.0002211000000000, -0.0000843800000000 ] - [ -0.0039253500000000, 0.0003106600000000, -0.0050681400000000 ] - [ -0.0001512500000000, -0.0000112000000000, 0.0000979800000000 ] - [ 0.0018190600000000, -0.0022089500000000, 0.0026931700000000 ] - [ 0.0001640300000000, -0.0002772400000000, -0.0001037600000000 ] - [ -0.0032342300000000, -0.0008689600000000, -0.0001779300000000 ] - [ -0.0000970200000000, 0.0000170400000000, 0.0003086300000000 ] - [ 0.0010936900000000, -0.0005532300000000, -0.0006379500000000 ] - [ 0.0001734600000000, 0.0000890500000000, 0.0003035500000000 ] - [ -0.0013262800000000, -0.0028256300000000, -0.0020813500000000 ] - [ -0.0000060100000000, -0.0001223200000000, 0.0002952700000000 ] - [ 0.0001250600000000, 0.0010982500000000, -0.0005728300000000 ] - [ -0.0000550400000000, 0.0001823600000000, 0.0002652500000000 ] - [ -0.0048590100000000, -0.0005734000000000, 0.0004480700000000 ] - [ -0.0000827200000000, -0.0000614800000000, 0.0002492400000000 ] - [ 0.0009120400000000, 0.0006573600000000, -0.0003358100000000 ] - [ 0.0000904600000000, -0.0000360200000000, 0.0002495700000000 ] - [ 0.0009695600000000, 0.0011294700000000, -0.0007469400000000 ] - [ 0.0005996200000000, 0.0005681300000000, 0.0005860600000000 ] - [ -0.0000418600000000, 0.0000753500000000, -0.0004006300000000 ] - [ -0.0001355600000000, 0.0002817600000000, 0.0004758500000000 ] - [ -0.0003789700000000, 0.0001390300000000, -0.0000148600000000 ] - [ -0.0001552500000000, 0.0001038800000000, 0.0002139800000000 ] - [ -0.0028369600000000, 0.0000298800000000, -0.0000041900000000 ] - [ -0.0000367200000000, -0.0000248000000000, 0.0000419900000000 ] - [ 0.0011175500000000, -0.0018582500000000, -0.0000327900000000 ] - [ 0.0000661900000000, -0.0000636500000000, 0.0000418600000000 ] - [ -0.0102202100000000, -0.0007795000000000, -0.0002471900000000 ] - [ 0.0000119300000000, 0.0000735900000000, 0.0000579300000000 ] - [ 0.0027259500000000, -0.0000676900000000, 0.0013142300000000 ] - [ 0.0016689600000000, 0.0000090800000000, -0.0009294300000000 ] - [ -0.0006634900000000, -0.0010103100000000, 0.0009934400000000 ] - [ -0.0003845600000000, -0.0006825200000000, -0.0012496500000000 ] - [ -0.0005888300000000, 0.0010025600000000, 0.0012260100000000 ] - [ -0.0002886200000000, 0.0005028400000000, -0.0013978400000000 ] - [ -0.0002918900000000, -0.0007188400000000, 0.0006483800000000 ] - [ -0.0000856900000000, -0.0001185100000000, 0.0002720200000000 ] - [ 0.0045399400000000, 0.0001105700000000, -0.0013248600000000 ] - [ 0.0001105400000000, 0.0000023500000000, 0.0003080600000000 ] - [ -0.0080939400000000, -0.0041025100000000, 0.0016167600000000 ] - [ -0.0000768800000000, 0.0001327100000000, 0.0002701200000000 ] - [ -0.0033937200000000, 0.0003428700000000, 0.0010533600000000 ] - [ -0.0000242000000000, -0.0000943100000000, 0.0001170200000000 ] - [ -0.0000853400000000, 0.0009124000000000, 0.0004439300000000 ] - [ -0.0000943700000000, 0.0001632400000000, 0.0000947700000000 ] - [ 0.0006265200000000, 0.0007221100000000, 0.0004080900000000 ] - [ 0.0000799600000000, -0.0000148600000000, 0.0001331100000000 ] - [ 0.0003098200000000, 0.0001024000000000, -0.0002893500000000 ] - [ 0.0007076600000000, -0.0007129500000000, 0.0003372600000000 ] - [ -0.0001166000000000, 0.0001366400000000, -0.0002953700000000 ] - [ -0.0026055800000000, -0.0012890200000000, 0.0006926100000000 ] - [ -0.0001055300000000, -0.0002296200000000, -0.0002856900000000 ] - [ -0.0013328800000000, -0.0024704500000000, 0.0016867500000000 ] - [ 0.0751436300000000, 0.0034044800000000, 0.0036656800000000 ] - [ 0.0002271400000000, -0.0000312800000000, -0.0001415400000000 ] - [ -0.0045053200000000, -0.0017545400000000, 0.0003047000000000 ] - [ -0.0001462400000000, -0.0002027000000000, -0.0001249200000000 ] - [ -0.0017567000000000, 0.0033397100000000, 0.0001536000000000 ] - [ -0.0000924800000000, 0.0002331300000000, -0.0001265200000000 ] - [ -0.0008641800000000, -0.0014145400000000, -0.0003028400000000 ] - [ -0.0004925700000000, -0.0006054500000000, -0.0000346900000000 ] - [ 0.0029791500000000, -0.0000634800000000, 0.0002574600000000 ] - [ 0.0012785600000000, -0.0000813800000000, -0.0004289700000000 ] - [ -0.0008514200000000, 0.0014514300000000, -0.0001138800000000 ] - [ -0.0003442100000000, 0.0006475800000000, -0.0003037500000000 ] - [ 0.0000973800000000, 0.0000152300000000, -0.0014410800000000 ] - [ -0.0061430700000000, 0.0008237800000000, 0.0091425700000000 ] - [ -0.0002189200000000, 0.0001829900000000, 0.0018441300000000 ] - [ -0.0001108400000000, 0.0000775400000000, -0.0018829800000000 ] - [ -0.0020452500000000, -0.0084063000000000, -0.0003482000000000 ] - [ -0.0000089200000000, 0.0000166400000000, -0.0000639700000000 ] - [ 0.0002038100000000, 0.0004418600000000, -0.0001991700000000 ] - [ 0.0007928000000000, 0.0034187200000000, 0.0017472300000000 ] - [ -0.0005556300000000, -0.0000313100000000, -0.0001651000000000 ] - [ -0.0082834500000000, -0.0012216500000000, -0.0059369500000000 ] - [ 0.0002862800000000, -0.0004396800000000, -0.0001885900000000 ] - [ 0.0020543800000000, -0.0049091300000000, 0.0034011000000000 ] - [ 0.0010156000000000, 0.0048584200000000, -0.0021394200000000 ] - [ 0.0001501900000000, 0.0002184800000000, -0.0000671300000000 ] - [ -0.0087363300000000, -0.0009648400000000, 0.0044757400000000 ] - [ -0.0002851300000000, 0.0000182900000000, -0.0001447800000000 ] - [ 0.0013294000000000, -0.0071167300000000, -0.0048878300000000 ] - [ 0.0001523900000000, -0.0002515200000000, -0.0000617400000000 ] - [ -0.0002493900000000, 0.0082467600000000, -0.0040353000000000 ] - [ -0.0000123400000000, 0.0000058200000000, -0.0000130200000000 ] - [ 0.0001292400000000, -0.0000558500000000, 0.0002026600000000 ] - [ -0.0007889900000000, 0.0000981600000000, -0.0009138300000000 ] - [ -0.0009825800000000, 0.0095417800000000, 0.0042594600000000 ] - [ -0.0000081100000000, -0.0000040200000000, -0.0002036000000000 ] - [ -0.0008547900000000, -0.0003910200000000, 0.0016121500000000 ] - [ 0.0000835600000000, -0.0000869300000000, -0.0003576200000000 ] - [ -0.0192915900000000, 0.0020833800000000, -0.0066661800000000 ] - [ 0.0000573800000000, -0.0000043600000000, -0.0000638500000000 ] - [ -0.0020189100000000, 0.0000756700000000, -0.0036892000000000 ] - [ -0.0001867500000000, 0.0000554600000000, 0.0003007400000000 ]- atom: 55 displacement: [ -0.0049999999973645, 0.0086602540393660, 0.0000000000000000 ] forces: - [ 0.0011465700000000, 0.0024365600000000, 0.0021481600000000 ] - [ 0.0000994300000000, 0.0002056200000000, -0.0000109200000000 ] - [ -0.0014522500000000, 0.0014740800000000, -0.0025224500000000 ] - [ -0.0000276800000000, -0.0000163000000000, 0.0000786100000000 ] - [ 0.0006612900000000, -0.0000212400000000, 0.0000517400000000 ] - [ 0.0000478500000000, -0.0000448100000000, 0.0001364900000000 ] - [ -0.0013010500000000, 0.0019661700000000, 0.0002770700000000 ] - [ -0.0002233800000000, 0.0002411400000000, 0.0004998200000000 ] - [ 0.0033021000000000, -0.0002638400000000, -0.0024779900000000 ] - [ 0.0003056100000000, 0.0000954100000000, 0.0005798100000000 ] - [ -0.0003525500000000, -0.0034725700000000, -0.0022947100000000 ] - [ -0.0001272600000000, -0.0003000700000000, 0.0005704100000000 ] - [ -0.0002457000000000, -0.0012164400000000, 0.0004081200000000 ] - [ 0.0000817000000000, -0.0001192300000000, 0.0001471800000000 ] - [ -0.0010757300000000, 0.0040866300000000, 0.0000384400000000 ] - [ 0.0001035200000000, 0.0001651400000000, 0.0000560400000000 ] - [ -0.0008184200000000, -0.0001804100000000, 0.0006724600000000 ] - [ -0.0002111000000000, 0.0000302300000000, 0.0000771700000000 ] - [ -0.0008888500000000, -0.0016270000000000, 0.0013202100000000 ] - [ -0.0007542100000000, -0.0014835900000000, -0.0008614400000000 ] - [ -0.0002524300000000, 0.0002707100000000, 0.0001227500000000 ] - [ -0.0002426900000000, 0.0003406600000000, 0.0001585100000000 ] - [ -0.0000411800000000, -0.0000296100000000, 0.0005516800000000 ] - [ 0.0000774200000000, -0.0000115300000000, -0.0001373100000000 ] - [ 0.0020666800000000, 0.0079929600000000, -0.0002049600000000 ] - [ -0.0001663000000000, -0.0000251900000000, 0.0000408600000000 ] - [ 0.0018155100000000, -0.0029958200000000, -0.0000195600000000 ] - [ 0.0000778300000000, -0.0000896700000000, 0.0000437900000000 ] - [ -0.0091935500000000, 0.0021074000000000, -0.0003833500000000 ] - [ 0.0000520800000000, 0.0001599000000000, 0.0000440100000000 ] - [ 0.0018297900000000, -0.0001299400000000, 0.0009255300000000 ] - [ 0.0009492700000000, 0.0000422400000000, -0.0004889800000000 ] - [ -0.0001599500000000, -0.0004984800000000, 0.0006896600000000 ] - [ 0.0001700500000000, -0.0002753000000000, -0.0007965700000000 ] - [ -0.0003577900000000, 0.0007436800000000, 0.0000306100000000 ] - [ -0.0006086600000000, 0.0007047900000000, -0.0002960900000000 ] - [ 0.0033886200000000, 0.0016068400000000, 0.0005630200000000 ] - [ 0.0000036600000000, -0.0000152900000000, 0.0002043900000000 ] - [ 0.0028641800000000, 0.0002892700000000, -0.0008892700000000 ] - [ 0.0000177000000000, -0.0000004700000000, 0.0002158200000000 ] - [ -0.0021546500000000, 0.0037024500000000, -0.0000301400000000 ] - [ 0.0000029300000000, -0.0000047700000000, 0.0002162600000000 ] - [ -0.0026171300000000, 0.0013378400000000, -0.0020936100000000 ] - [ 0.0001797500000000, 0.0002059800000000, 0.0003585200000000 ] - [ -0.0000961300000000, -0.0011186000000000, -0.0004443200000000 ] - [ 0.0000901500000000, -0.0002275300000000, 0.0002792600000000 ] - [ -0.0009135100000000, -0.0001269700000000, -0.0006598200000000 ] - [ -0.0003422600000000, 0.0000445100000000, 0.0003344000000000 ] - [ 0.0004250900000000, 0.0000960000000000, -0.0006108000000000 ] - [ 0.0029640000000000, -0.0003850500000000, 0.0021487000000000 ] - [ -0.0002375400000000, 0.0003762000000000, -0.0005174300000000 ] - [ -0.0002437000000000, 0.0009288800000000, 0.0011440900000000 ] - [ -0.0002095500000000, -0.0003696400000000, -0.0006254000000000 ] - [ -0.0004346500000000, -0.0030431600000000, 0.0019471800000000 ] - [ 0.0344432500000000, -0.0536235900000000, 0.0038650300000000 ] - [ 0.0001590100000000, -0.0002148800000000, -0.0001396000000000 ] - [ -0.0036508400000000, -0.0002168500000000, 0.0005405400000000 ] - [ -0.0002670000000000, -0.0000464800000000, -0.0001266400000000 ] - [ -0.0008599800000000, 0.0047175200000000, -0.0000501600000000 ] - [ 0.0001029700000000, 0.0002491100000000, -0.0001375600000000 ] - [ -0.0012621200000000, -0.0002000700000000, 0.0001650600000000 ] - [ -0.0008667600000000, 0.0001629900000000, -0.0004294600000000 ] - [ 0.0014504000000000, -0.0023644900000000, -0.0010195400000000 ] - [ 0.0005861000000000, -0.0015026900000000, 0.0002751900000000 ] - [ 0.0004737900000000, 0.0012699500000000, 0.0003159600000000 ] - [ 0.0004357900000000, 0.0006673000000000, -0.0004263100000000 ] - [ 0.0000505800000000, -0.0000273200000000, -0.0008135000000000 ] - [ -0.0037767600000000, -0.0017083300000000, 0.0052341000000000 ] - [ -0.0002210900000000, 0.0002870500000000, 0.0034796000000000 ] - [ -0.0001476400000000, 0.0002094100000000, -0.0034014300000000 ] - [ 0.0066304400000000, 0.0061652700000000, 0.0011023700000000 ] - [ -0.0000107100000000, 0.0000106400000000, -0.0001121500000000 ] - [ -0.0002774000000000, 0.0005099600000000, -0.0002241200000000 ] - [ -0.0025238800000000, 0.0067321100000000, 0.0029721200000000 ] - [ -0.0002882400000000, -0.0004614700000000, -0.0001646400000000 ] - [ -0.0033628600000000, -0.0042008900000000, -0.0029829700000000 ] - [ 0.0005299100000000, 0.0000758500000000, -0.0001516400000000 ] - [ 0.0051537700000000, 0.0029751000000000, -0.0034599900000000 ] - [ -0.0042916900000000, 0.0084069100000000, -0.0045491200000000 ] - [ -0.0001860000000000, 0.0002521700000000, -0.0000248200000000 ] - [ -0.0036513800000000, -0.0034727600000000, 0.0023218600000000 ] - [ -0.0001025800000000, -0.0002672000000000, -0.0001247300000000 ] - [ 0.0072093900000000, 0.0026809300000000, 0.0047961300000000 ] - [ 0.0002914700000000, 0.0000886300000000, -0.0000661400000000 ] - [ -0.0068164100000000, 0.0091946400000000, -0.0069657800000000 ] - [ 0.0000224500000000, -0.0000301400000000, 0.0000703100000000 ] - [ 0.0000684000000000, -0.0001531900000000, -0.0004968200000000 ] - [ -0.0002904400000000, 0.0013935200000000, 0.0011484200000000 ] - [ -0.0079046400000000, 0.0111151300000000, 0.0069454500000000 ] - [ 0.0000194400000000, -0.0000076000000000, -0.0002709700000000 ] - [ -0.0001216500000000, 0.0013304400000000, -0.0022004400000000 ] - [ -0.0000023200000000, -0.0001391600000000, 0.0001875600000000 ] - [ -0.0118814600000000, -0.0040018100000000, -0.0035010000000000 ] - [ -0.0000083400000000, 0.0000343800000000, -0.0001360000000000 ] - [ -0.0017544800000000, 0.0007241700000000, -0.0022101500000000 ] - [ -0.0000734200000000, -0.0001730500000000, 0.0000503800000000 ]- atom: 55 displacement: [ 0.0049999999973645, -0.0086602540393660, 0.0000000000000000 ] forces: - [ -0.0011173200000000, -0.0023794100000000, -0.0021308500000000 ] - [ -0.0000730200000000, -0.0001594000000000, 0.0000089300000000 ] - [ 0.0013097100000000, -0.0014695300000000, 0.0024105900000000 ] - [ -0.0000242400000000, 0.0000177900000000, -0.0000788800000000 ] - [ -0.0006424700000000, -0.0000017400000000, -0.0000645100000000 ] - [ -0.0000217300000000, 0.0000012300000000, -0.0001376200000000 ] - [ 0.0013360600000000, -0.0020791600000000, -0.0005505400000000 ] - [ 0.0001860800000000, -0.0002500800000000, -0.0005974000000000 ] - [ -0.0033149100000000, 0.0002975300000000, 0.0024062900000000 ] - [ -0.0002942000000000, -0.0000566800000000, -0.0006771100000000 ] - [ 0.0003892400000000, 0.0034606600000000, 0.0022222500000000 ] - [ 0.0001513200000000, 0.0002695500000000, -0.0006686000000000 ] - [ 0.0002624700000000, 0.0012438900000000, -0.0003115100000000 ] - [ -0.0000555600000000, 0.0001495000000000, -0.0000522000000000 ] - [ 0.0010893300000000, -0.0039480400000000, -0.0000607200000000 ] - [ -0.0001437000000000, -0.0001606600000000, 0.0000417500000000 ] - [ 0.0008388700000000, 0.0001438000000000, -0.0005715100000000 ] - [ 0.0002256100000000, -0.0000677600000000, 0.0000180400000000 ] - [ 0.0008633400000000, 0.0015579000000000, -0.0011892500000000 ] - [ 0.0007294500000000, 0.0014097900000000, 0.0010272800000000 ] - [ 0.0001951700000000, -0.0001887600000000, 0.0000270600000000 ] - [ 0.0001870300000000, -0.0002633000000000, -0.0000094800000000 ] - [ 0.0001354300000000, 0.0000422900000000, -0.0003978600000000 ] - [ 0.0000190900000000, 0.0000240900000000, 0.0002832200000000 ] - [ -0.0019242600000000, -0.0086147300000000, 0.0000711200000000 ] - [ 0.0002637600000000, 0.0000140600000000, -0.0001904600000000 ] - [ -0.0018463700000000, 0.0030656300000000, -0.0001316800000000 ] - [ -0.0001187000000000, 0.0001823800000000, -0.0001935300000000 ] - [ 0.0096612800000000, -0.0024372100000000, 0.0002542900000000 ] - [ -0.0001098000000000, -0.0002357800000000, -0.0001940800000000 ] - [ -0.0018800500000000, 0.0001615900000000, -0.0010271200000000 ] - [ -0.0009843400000000, -0.0000108000000000, 0.0003936000000000 ] - [ 0.0002036100000000, 0.0005111000000000, -0.0007756600000000 ] - [ -0.0001231100000000, 0.0002926100000000, 0.0007012300000000 ] - [ 0.0003398600000000, -0.0007909300000000, -0.0001214800000000 ] - [ 0.0005904600000000, -0.0007511700000000, 0.0002046100000000 ] - [ -0.0036639900000000, -0.0013344100000000, -0.0004273500000000 ] - [ -0.0000167100000000, 0.0000602900000000, -0.0001128900000000 ] - [ -0.0029047500000000, -0.0003252400000000, 0.0009834500000000 ] - [ -0.0000503300000000, -0.0000351500000000, -0.0001240800000000 ] - [ 0.0021399500000000, -0.0037528100000000, 0.0001287200000000 ] - [ 0.0000430500000000, -0.0000079400000000, -0.0001234500000000 ] - [ 0.0027053600000000, -0.0011655200000000, 0.0023589200000000 ] - [ -0.0001181100000000, -0.0001313300000000, -0.0001713000000000 ] - [ 0.0001218200000000, 0.0010252800000000, 0.0006338700000000 ] - [ -0.0000564800000000, 0.0001378900000000, -0.0000898000000000 ] - [ 0.0008225700000000, 0.0001422800000000, 0.0008440300000000 ] - [ 0.0002482200000000, -0.0000285700000000, -0.0001455800000000 ] - [ -0.0005232900000000, -0.0001112300000000, 0.0004222200000000 ] - [ -0.0030837100000000, 0.0003632100000000, -0.0023594100000000 ] - [ 0.0003009600000000, -0.0004531300000000, 0.0003296200000000 ] - [ 0.0003612500000000, -0.0010744400000000, -0.0012413100000000 ] - [ 0.0002426500000000, 0.0004617200000000, 0.0004369900000000 ] - [ 0.0004787600000000, 0.0031510200000000, -0.0021559600000000 ] - [ -0.0347529700000000, 0.0544146600000000, -0.0036804400000000 ] - [ -0.0000443300000000, 0.0001922200000000, 0.0001334800000000 ] - [ 0.0036070300000000, 0.0001330600000000, -0.0005422100000000 ] - [ 0.0001909500000000, -0.0000410800000000, 0.0001210600000000 ] - [ 0.0008043000000000, -0.0046238500000000, 0.0000420400000000 ] - [ -0.0001394400000000, -0.0001398600000000, 0.0001317500000000 ] - [ 0.0012349400000000, 0.0000877600000000, -0.0001669500000000 ] - [ 0.0008371500000000, -0.0002759600000000, 0.0004409200000000 ] - [ -0.0013345100000000, 0.0023831400000000, 0.0010488400000000 ] - [ -0.0004709500000000, 0.0015256900000000, -0.0002793000000000 ] - [ -0.0005589500000000, -0.0011892800000000, -0.0003158200000000 ] - [ -0.0005193900000000, -0.0005823500000000, 0.0004383500000000 ] - [ -0.0000515000000000, 0.0000264800000000, 0.0008145800000000 ] - [ 0.0037831900000000, 0.0016762600000000, -0.0052299700000000 ] - [ 0.0002218100000000, -0.0002870300000000, -0.0038326100000000 ] - [ 0.0001472000000000, -0.0002090600000000, 0.0030966000000000 ] - [ -0.0066036200000000, -0.0061861600000000, -0.0007756100000000 ] - [ 0.0000092500000000, -0.0000104800000000, 0.0004394600000000 ] - [ 0.0003147600000000, -0.0004486900000000, 0.0002231300000000 ] - [ 0.0025652200000000, -0.0066420100000000, -0.0029255500000000 ] - [ 0.0002176900000000, 0.0004624100000000, 0.0001650500000000 ] - [ 0.0032729000000000, 0.0042298100000000, 0.0029857600000000 ] - [ -0.0004965500000000, -0.0001384200000000, 0.0001535800000000 ] - [ -0.0051546200000000, -0.0030169000000000, 0.0034674000000000 ] - [ 0.0042698700000000, -0.0083742500000000, 0.0044804700000000 ] - [ 0.0001817300000000, -0.0002638000000000, 0.0000258200000000 ] - [ 0.0036541800000000, 0.0034967600000000, -0.0023268800000000 ] - [ 0.0001133900000000, 0.0002678500000000, 0.0001259700000000 ] - [ -0.0072462000000000, -0.0026332800000000, -0.0047981100000000 ] - [ -0.0002986000000000, -0.0000795100000000, 0.0000650800000000 ] - [ 0.0069135700000000, -0.0093088500000000, 0.0071386700000000 ] - [ -0.0000192200000000, 0.0000284700000000, -0.0000080800000000 ] - [ -0.0000678400000000, 0.0001590000000000, 0.0004384200000000 ] - [ 0.0002645300000000, -0.0014114500000000, -0.0012124200000000 ] - [ 0.0080176800000000, -0.0112577000000000, -0.0069889500000000 ] - [ -0.0000153300000000, 0.0000069100000000, 0.0003467300000000 ] - [ 0.0001113300000000, -0.0013578700000000, 0.0021213400000000 ] - [ 0.0000018000000000, 0.0001445000000000, -0.0002651100000000 ] - [ 0.0118247600000000, 0.0039170100000000, 0.0034189700000000 ] - [ 0.0000073700000000, -0.0000327900000000, 0.0000847500000000 ] - [ 0.0017807400000000, -0.0007151000000000, 0.0022717200000000 ] - [ 0.0000760500000000, 0.0001715400000000, 0.0000031500000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000352700000000, 0.0005991300000000, 0.0014277600000000 ] - [ 0.0000439000000000, 0.0000036400000000, -0.0008695400000000 ] - [ 0.0010907200000000, -0.0002684900000000, 0.0072654400000000 ] - [ 0.0002130800000000, 0.0000391600000000, -0.0010986700000000 ] - [ 0.0003381100000000, -0.0007444100000000, 0.0017267600000000 ] - [ 0.0000058700000000, -0.0001413800000000, -0.0009661200000000 ] - [ 0.0013400600000000, -0.0023574000000000, 0.0050844400000000 ] - [ -0.0003446000000000, 0.0005078700000000, -0.0013575100000000 ] - [ -0.0006265000000000, -0.0003735900000000, 0.0012232600000000 ] - [ 0.0001577300000000, -0.0000881700000000, -0.0012389500000000 ] - [ 0.0003456600000000, 0.0004035300000000, 0.0011333500000000 ] - [ -0.0000266700000000, -0.0001624900000000, -0.0012363000000000 ] - [ -0.0002264900000000, 0.0000096600000000, 0.0014538500000000 ] - [ 0.0002155900000000, -0.0002517100000000, -0.0010562700000000 ] - [ -0.0026082900000000, -0.0028613500000000, 0.0053790800000000 ] - [ 0.0001448000000000, 0.0002661600000000, -0.0014317300000000 ] - [ 0.0001473600000000, 0.0002651400000000, 0.0013192800000000 ] - [ -0.0002794100000000, 0.0000229000000000, -0.0010264500000000 ] - [ 0.0004379800000000, 0.0006299200000000, -0.0025449400000000 ] - [ -0.0009114600000000, -0.0013581100000000, -0.0027826300000000 ] - [ 0.0001158100000000, 0.0007216000000000, -0.0007008000000000 ] - [ -0.0001803000000000, -0.0004032300000000, -0.0006147000000000 ] - [ 0.0003255000000000, 0.0003784100000000, -0.0005797600000000 ] - [ -0.0001057800000000, -0.0002149200000000, -0.0004400900000000 ] - [ -0.0006394500000000, 0.0009972900000000, 0.0038353200000000 ] - [ 0.0000019200000000, 0.0000169700000000, -0.0012031900000000 ] - [ 0.0000381300000000, 0.0002038000000000, 0.0058422900000000 ] - [ 0.0000011000000000, -0.0000231400000000, -0.0013298200000000 ] - [ -0.0004658200000000, 0.0003516800000000, 0.0033252500000000 ] - [ -0.0000106600000000, -0.0000529800000000, -0.0011952000000000 ] - [ -0.0018587000000000, -0.0000284400000000, -0.0022614700000000 ] - [ -0.0004417300000000, 0.0000231100000000, -0.0010738600000000 ] - [ -0.0005872500000000, 0.0001512800000000, -0.0007180400000000 ] - [ 0.0007609400000000, 0.0000172000000000, -0.0007759200000000 ] - [ -0.0007558000000000, 0.0000017000000000, -0.0008705400000000 ] - [ 0.0010691900000000, -0.0002806400000000, -0.0011397800000000 ] - [ 0.0014809000000000, 0.0002049800000000, 0.0048395800000000 ] - [ -0.0001959700000000, -0.0002263700000000, -0.0011319200000000 ] - [ -0.0026366300000000, 0.0000273800000000, 0.0040431900000000 ] - [ 0.0003948800000000, -0.0000530900000000, -0.0011917300000000 ] - [ 0.0017463300000000, -0.0006214800000000, 0.0053014300000000 ] - [ -0.0001068700000000, 0.0002830900000000, -0.0011758200000000 ] - [ -0.0017450900000000, -0.0026387100000000, 0.0001230100000000 ] - [ -0.0001719800000000, -0.0001686900000000, -0.0014298800000000 ] - [ 0.0002335900000000, -0.0000494000000000, 0.0012805000000000 ] - [ -0.0002154900000000, 0.0003431200000000, -0.0010715500000000 ] - [ -0.0002072100000000, -0.0000630000000000, 0.0013491800000000 ] - [ 0.0003453700000000, -0.0000100100000000, -0.0010375000000000 ] - [ -0.0002819500000000, 0.0000106100000000, -0.0013174500000000 ] - [ 0.0001492600000000, 0.0003404300000000, 0.0007586900000000 ] - [ 0.0004127100000000, -0.0006808800000000, -0.0014965600000000 ] - [ -0.0034252400000000, 0.0041247600000000, 0.0002678700000000 ] - [ 0.0000419900000000, 0.0002457700000000, -0.0013007400000000 ] - [ -0.0002986900000000, -0.0000486600000000, 0.0008061700000000 ] - [ -0.0034905600000000, 0.0022541700000000, -0.0442612900000000 ] - [ 0.0001953100000000, -0.0000901500000000, 0.0015021600000000 ] - [ -0.0000789300000000, 0.0001648600000000, -0.0022586300000000 ] - [ -0.0001730800000000, -0.0001080600000000, 0.0013110200000000 ] - [ -0.0002495400000000, -0.0004343600000000, -0.0022588500000000 ] - [ -0.0000157400000000, 0.0001966500000000, 0.0013110200000000 ] - [ 0.0004500900000000, 0.0000254900000000, 0.0003570300000000 ] - [ -0.0004162700000000, 0.0002177200000000, 0.0005698400000000 ] - [ 0.0002961000000000, -0.0013128400000000, 0.0079500600000000 ] - [ -0.0003652900000000, 0.0005804800000000, 0.0050175900000000 ] - [ -0.0003535100000000, -0.0002688700000000, 0.0003238800000000 ] - [ 0.0003939000000000, -0.0000628700000000, 0.0005518000000000 ] - [ -0.0000369400000000, -0.0000211000000000, 0.0026222700000000 ] - [ -0.0060343100000000, 0.0006405300000000, 0.0009065100000000 ] - [ -0.0005513000000000, 0.0008500300000000, 0.0021607300000000 ] - [ 0.0004752200000000, -0.0006408400000000, 0.0022400100000000 ] - [ 0.0002873200000000, 0.0003364000000000, -0.0088083400000000 ] - [ 0.0000027400000000, -0.0000068100000000, 0.0028599800000000 ] - [ 0.0003700200000000, -0.0001970000000000, 0.0012965000000000 ] - [ -0.0020586200000000, 0.0029550800000000, -0.0001637200000000 ] - [ -0.0001086600000000, 0.0003286200000000, 0.0014685400000000 ] - [ 0.0075289100000000, 0.0000663000000000, 0.0010918600000000 ] - [ -0.0002557500000000, -0.0001741300000000, 0.0014516600000000 ] - [ -0.0028448100000000, -0.0057447300000000, 0.0013143500000000 ] - [ 0.0030766600000000, -0.0043227400000000, -0.0000940400000000 ] - [ -0.0003044400000000, 0.0001939500000000, 0.0010436800000000 ] - [ -0.0046944400000000, 0.0002140600000000, -0.0001483300000000 ] - [ 0.0001293700000000, -0.0002635800000000, 0.0010333900000000 ] - [ 0.0048552600000000, 0.0075727100000000, 0.0011426800000000 ] - [ 0.0001902000000000, 0.0001813400000000, 0.0012539000000000 ] - [ 0.0046035200000000, -0.0066211500000000, -0.0049077800000000 ] - [ -0.0000596800000000, 0.0000945600000000, 0.0015128000000000 ] - [ 0.0002446300000000, 0.0001380300000000, 0.0013620800000000 ] - [ 0.0006748400000000, 0.0011130700000000, 0.0034831400000000 ] - [ -0.0040316800000000, 0.0059986100000000, -0.0067050100000000 ] - [ 0.0000670200000000, -0.0000480000000000, 0.0015150000000000 ] - [ -0.0000329400000000, -0.0006852400000000, 0.0039787000000000 ] - [ -0.0002549100000000, -0.0002482300000000, 0.0013786000000000 ] - [ 0.0072363200000000, -0.0000346700000000, -0.0069079300000000 ] - [ -0.0000923900000000, 0.0000054300000000, 0.0012545100000000 ] - [ 0.0030986200000000, 0.0000232600000000, 0.0020153100000000 ] - [ 0.0000480500000000, 0.0001144800000000, 0.0011130300000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000130200000000, -0.0005661700000000, -0.0014433300000000 ] - [ -0.0000175200000000, 0.0000430400000000, 0.0008688400000000 ] - [ -0.0014449900000000, 0.0003084000000000, -0.0076576000000000 ] - [ -0.0002617400000000, -0.0000376800000000, 0.0010960200000000 ] - [ -0.0003185700000000, 0.0007142100000000, -0.0017489200000000 ] - [ 0.0000211200000000, 0.0000954900000000, 0.0009643200000000 ] - [ -0.0012635400000000, 0.0021945800000000, -0.0055553600000000 ] - [ 0.0003036400000000, -0.0005114900000000, 0.0012597000000000 ] - [ 0.0006489500000000, 0.0004125300000000, -0.0013315100000000 ] - [ -0.0001455200000000, 0.0001264700000000, 0.0011442800000000 ] - [ -0.0003228300000000, -0.0004425400000000, -0.0012408900000000 ] - [ 0.0000506800000000, 0.0001308800000000, 0.0011409500000000 ] - [ 0.0002564900000000, 0.0000153300000000, -0.0013606300000000 ] - [ -0.0001884300000000, 0.0002805900000000, 0.0011516100000000 ] - [ 0.0027123800000000, 0.0031107300000000, -0.0055223900000000 ] - [ -0.0001857500000000, -0.0002633500000000, 0.0015252400000000 ] - [ -0.0001367800000000, -0.0003026100000000, -0.0012244100000000 ] - [ 0.0002929300000000, -0.0000598200000000, 0.0011225600000000 ] - [ -0.0004644200000000, -0.0007071800000000, 0.0026799500000000 ] - [ 0.0008809400000000, 0.0012763200000000, 0.0029385300000000 ] - [ -0.0001791300000000, -0.0006481700000000, 0.0008519100000000 ] - [ 0.0001213100000000, 0.0004762100000000, 0.0007634400000000 ] - [ -0.0002286200000000, -0.0003727300000000, 0.0007301600000000 ] - [ 0.0002039300000000, 0.0002235700000000, 0.0005897500000000 ] - [ 0.0007772100000000, -0.0010440000000000, -0.0039730400000000 ] - [ 0.0000936600000000, -0.0000280600000000, 0.0010529300000000 ] - [ -0.0000936100000000, -0.0000903600000000, -0.0059968500000000 ] - [ -0.0000427900000000, 0.0001167900000000, 0.0011799500000000 ] - [ 0.0003913200000000, -0.0004439100000000, -0.0034846200000000 ] - [ -0.0000462000000000, -0.0000208600000000, 0.0010446900000000 ] - [ 0.0018088700000000, 0.0000600000000000, 0.0021594200000000 ] - [ 0.0004053000000000, 0.0000106000000000, 0.0009794500000000 ] - [ 0.0006425100000000, -0.0001386000000000, 0.0006241500000000 ] - [ -0.0007074100000000, -0.0000080200000000, 0.0006856900000000 ] - [ 0.0007529600000000, -0.0000488900000000, 0.0007785600000000 ] - [ -0.0010734600000000, 0.0002378700000000, 0.0010449700000000 ] - [ -0.0015390500000000, -0.0001242100000000, -0.0047485100000000 ] - [ 0.0001835100000000, 0.0002715500000000, 0.0012228500000000 ] - [ 0.0026179500000000, -0.0000620700000000, -0.0039615000000000 ] - [ -0.0004271500000000, 0.0000175000000000, 0.0012822200000000 ] - [ -0.0017748700000000, 0.0005846200000000, -0.0051901500000000 ] - [ 0.0001535100000000, -0.0002962400000000, 0.0012677200000000 ] - [ 0.0018752200000000, 0.0028419900000000, 0.0002252500000000 ] - [ 0.0002321000000000, 0.0002409800000000, 0.0016215100000000 ] - [ -0.0001969600000000, -0.0000483700000000, -0.0010887200000000 ] - [ 0.0002507500000000, -0.0004352900000000, 0.0012601000000000 ] - [ 0.0001065900000000, 0.0000773800000000, -0.0011589300000000 ] - [ -0.0004411100000000, 0.0000264200000000, 0.0012247700000000 ] - [ 0.0001826100000000, -0.0000266300000000, 0.0011257200000000 ] - [ -0.0002325500000000, -0.0003523600000000, -0.0009346400000000 ] - [ -0.0003529700000000, 0.0006101500000000, 0.0013100900000000 ] - [ 0.0035491500000000, -0.0042750300000000, -0.0002392600000000 ] - [ -0.0000079500000000, -0.0001530400000000, 0.0011093900000000 ] - [ 0.0003306700000000, 0.0001343700000000, -0.0009838500000000 ] - [ 0.0036280000000000, -0.0023506900000000, 0.0448696700000000 ] - [ -0.0000808000000000, 0.0000661000000000, -0.0015077800000000 ] - [ 0.0000133900000000, -0.0002429900000000, 0.0022537000000000 ] - [ 0.0000963300000000, 0.0000205500000000, -0.0013161200000000 ] - [ 0.0002197400000000, 0.0005446500000000, 0.0022535200000000 ] - [ -0.0000205600000000, -0.0000867200000000, -0.0013161500000000 ] - [ -0.0004882300000000, -0.0001325000000000, -0.0003465900000000 ] - [ 0.0003771700000000, -0.0003289700000000, -0.0005671600000000 ] - [ -0.0001890200000000, 0.0013556500000000, -0.0080583500000000 ] - [ 0.0004795200000000, -0.0005480200000000, -0.0049587500000000 ] - [ 0.0002782800000000, 0.0003550200000000, -0.0003136900000000 ] - [ -0.0004707600000000, 0.0001522800000000, -0.0005480800000000 ] - [ 0.0000344700000000, 0.0000206600000000, -0.0026180200000000 ] - [ 0.0060132600000000, -0.0006414200000000, -0.0009416200000000 ] - [ 0.0005629900000000, -0.0008657800000000, -0.0024953000000000 ] - [ -0.0004660000000000, 0.0006285800000000, -0.0025615400000000 ] - [ -0.0003071900000000, -0.0003661000000000, 0.0091355400000000 ] - [ -0.0000039200000000, 0.0000071600000000, -0.0025317800000000 ] - [ -0.0003352900000000, 0.0002598900000000, -0.0012956300000000 ] - [ 0.0020797000000000, -0.0028811500000000, 0.0001531300000000 ] - [ 0.0000416100000000, -0.0003293800000000, -0.0014680500000000 ] - [ -0.0075555400000000, -0.0000691800000000, -0.0011034300000000 ] - [ 0.0002896400000000, 0.0001111000000000, -0.0014497900000000 ] - [ 0.0028552000000000, 0.0056482200000000, -0.0013375400000000 ] - [ -0.0031045100000000, 0.0043309800000000, 0.0001090500000000 ] - [ 0.0002981600000000, -0.0002031300000000, -0.0010429000000000 ] - [ 0.0047387100000000, -0.0002180900000000, 0.0001611800000000 ] - [ -0.0001173500000000, 0.0002627300000000, -0.0010318500000000 ] - [ -0.0048973100000000, -0.0076079400000000, -0.0011062900000000 ] - [ -0.0001964800000000, -0.0001727700000000, -0.0012528400000000 ] - [ -0.0046078700000000, 0.0066144500000000, 0.0049018200000000 ] - [ 0.0000642800000000, -0.0000973000000000, -0.0014500100000000 ] - [ -0.0002467200000000, -0.0001317400000000, -0.0014224300000000 ] - [ -0.0006964900000000, -0.0011247200000000, -0.0035214700000000 ] - [ 0.0040202300000000, -0.0059901000000000, 0.0068568700000000 ] - [ -0.0000621100000000, 0.0000468300000000, -0.0014393500000000 ] - [ 0.0000162300000000, 0.0006907900000000, -0.0040566000000000 ] - [ 0.0002522800000000, 0.0002532600000000, -0.0014553700000000 ] - [ -0.0072034800000000, 0.0000207800000000, 0.0069605100000000 ] - [ 0.0000903200000000, -0.0000038600000000, -0.0013040500000000 ] - [ -0.0030943000000000, -0.0000142400000000, -0.0019567500000000 ] - [ -0.0000449300000000, -0.0001137900000000, -0.0010612800000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006851100000000, 0.0008632500000000, -0.0008343900000000 ] - [ 0.0007365500000000, 0.0009974100000000, 0.0009995800000000 ] - [ 0.0022513600000000, -0.0000222200000000, 0.0018379000000000 ] - [ 0.0022513600000000, 0.0000222200000000, -0.0018379000000000 ] - [ 0.0007365500000000, -0.0009974100000000, -0.0009995800000000 ] - [ 0.0006851100000000, -0.0008632500000000, 0.0008343900000000 ] - [ -0.0003453700000000, 0.0003849300000000, -0.0004693700000000 ] - [ -0.0001362600000000, 0.0001524300000000, 0.0005364600000000 ] - [ -0.0001988100000000, -0.0001712900000000, 0.0001444900000000 ] - [ -0.0002284300000000, -0.0000808900000000, -0.0002534800000000 ] - [ 0.0002448200000000, 0.0001881300000000, 0.0001701000000000 ] - [ 0.0000591400000000, -0.0000844100000000, -0.0004151700000000 ] - [ 0.0000591400000000, 0.0000844100000000, 0.0004151700000000 ] - [ 0.0002448200000000, -0.0001881300000000, -0.0001701000000000 ] - [ -0.0001362600000000, -0.0001524300000000, -0.0005364600000000 ] - [ -0.0003453700000000, -0.0003849300000000, 0.0004693700000000 ] - [ -0.0002284300000000, 0.0000808900000000, 0.0002534800000000 ] - [ -0.0001988100000000, 0.0001712900000000, -0.0001444900000000 ] - [ -0.0000291900000000, -0.0000455600000000, -0.0006800200000000 ] - [ -0.0000761200000000, -0.0001085300000000, 0.0001904500000000 ] - [ -0.0010484000000000, 0.0005458000000000, 0.0007372700000000 ] - [ -0.0000373600000000, 0.0000508500000000, -0.0000089900000000 ] - [ -0.0009029600000000, -0.0006141700000000, 0.0001479900000000 ] - [ -0.0000447100000000, 0.0000210800000000, 0.0000449400000000 ] - [ -0.0000447100000000, -0.0000210800000000, -0.0000449400000000 ] - [ -0.0009029600000000, 0.0006141700000000, -0.0001479900000000 ] - [ -0.0000761200000000, 0.0001085300000000, -0.0001904500000000 ] - [ -0.0000291900000000, 0.0000455600000000, 0.0006800200000000 ] - [ -0.0000373600000000, -0.0000508500000000, 0.0000089900000000 ] - [ -0.0010484000000000, -0.0005458000000000, -0.0007372700000000 ] - [ 0.0157926500000000, 0.0008681600000000, -0.0132103100000000 ] - [ -0.0001125200000000, 0.0000043700000000, -0.0001650500000000 ] - [ 0.0054401700000000, 0.0058524400000000, 0.0066055700000000 ] - [ -0.0000306800000000, -0.0000206400000000, 0.0000258000000000 ] - [ 0.0064013500000000, -0.0058471500000000, 0.0068576900000000 ] - [ -0.0000660100000000, -0.0000132900000000, -0.0000025500000000 ] - [ -0.0000660100000000, 0.0000132900000000, 0.0000025500000000 ] - [ 0.0064013500000000, 0.0058471500000000, -0.0068576900000000 ] - [ -0.0001125200000000, -0.0000043700000000, 0.0001650500000000 ] - [ 0.0157926500000000, -0.0008681600000000, 0.0132103100000000 ] - [ -0.0000306800000000, 0.0000206400000000, -0.0000258000000000 ] - [ 0.0054401700000000, -0.0058524400000000, -0.0066055700000000 ] - [ 0.0000317600000000, 0.0000759300000000, 0.0001020100000000 ] - [ -0.0037738500000000, -0.0006702900000000, -0.0003245700000000 ] - [ 0.0000106600000000, -0.0000140000000000, 0.0000870700000000 ] - [ 0.0001830200000000, -0.0006012400000000, 0.0002321500000000 ] - [ -0.0000465700000000, 0.0000376400000000, 0.0000940800000000 ] - [ -0.0019805800000000, 0.0028109700000000, 0.0003778700000000 ] - [ -0.0019805800000000, -0.0028109700000000, -0.0003778700000000 ] - [ -0.0000465700000000, -0.0000376400000000, -0.0000940800000000 ] - [ -0.0037738500000000, 0.0006702900000000, 0.0003245700000000 ] - [ 0.0000317600000000, -0.0000759300000000, -0.0001020100000000 ] - [ 0.0001830200000000, 0.0006012400000000, -0.0002321500000000 ] - [ 0.0000106600000000, 0.0000140000000000, -0.0000870700000000 ] - [ -0.0000427400000000, -0.0000094300000000, -0.0000374800000000 ] - [ 0.0061886600000000, -0.0008450700000000, -0.0060605600000000 ] - [ -0.0000858500000000, -0.0000541900000000, -0.0000035600000000 ] - [ 0.0004012000000000, 0.0040566900000000, 0.0035514500000000 ] - [ -0.0000769700000000, 0.0000899600000000, 0.0000326200000000 ] - [ -0.0010072500000000, -0.0032436900000000, 0.0024485200000000 ] - [ -0.0010072500000000, 0.0032436900000000, -0.0024485200000000 ] - [ -0.0000769700000000, -0.0000899600000000, -0.0000326200000000 ] - [ 0.0061886600000000, 0.0008450700000000, 0.0060605600000000 ] - [ -0.0000427400000000, 0.0000094300000000, 0.0000374800000000 ] - [ 0.0004012000000000, -0.0040566900000000, -0.0035514500000000 ] - [ -0.0000858500000000, 0.0000541900000000, 0.0000035600000000 ] - [ -0.0674294500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000423400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0006264600000000, 0.0000548600000000, -0.0001520500000000 ] - [ 0.0000079300000000, 0.0000070900000000, -0.0001662300000000 ] - [ 0.0000079300000000, -0.0000070900000000, 0.0001662300000000 ] - [ 0.0006264600000000, -0.0000548600000000, 0.0001520500000000 ] - [ 0.0020662600000000, 0.0088983000000000, 0.0001102000000000 ] - [ 0.0000317400000000, 0.0000268000000000, 0.0000101900000000 ] - [ 0.0172781800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000237300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0020662600000000, -0.0088983000000000, -0.0001102000000000 ] - [ 0.0000317400000000, -0.0000268000000000, -0.0000101900000000 ] - [ 0.0001146400000000, 0.0001830700000000, 0.0004244900000000 ] - [ 0.0000702100000000, 0.0002169400000000, -0.0005298200000000 ] - [ 0.0004715500000000, -0.0000588000000000, -0.0009519300000000 ] - [ 0.0004715500000000, 0.0000588000000000, 0.0009519300000000 ] - [ 0.0000702100000000, -0.0002169400000000, 0.0005298200000000 ] - [ 0.0001146400000000, -0.0001830700000000, -0.0004244900000000 ] - [ -0.0000151100000000, 0.0000681000000000, 0.0000310400000000 ] - [ 0.0003281600000000, -0.0005502500000000, 0.0000173000000000 ] - [ 0.0003281600000000, 0.0005502500000000, -0.0000173000000000 ] - [ -0.0000151100000000, -0.0000681000000000, -0.0000310400000000 ] - [ 0.0002102000000000, -0.0001534200000000, 0.0000389300000000 ] - [ 0.0002233700000000, 0.0002821800000000, 0.0000317300000000 ] - [ 0.0002233700000000, -0.0002821800000000, -0.0000317300000000 ] - [ 0.0002102000000000, 0.0001534200000000, -0.0000389300000000 ] - [ 0.0005721900000000, -0.0000146500000000, -0.0000283000000000 ] - [ -0.0077547500000000, -0.0000950700000000, 0.0000056100000000 ] - [ -0.0077547500000000, 0.0000950700000000, -0.0000056100000000 ] - [ 0.0005721900000000, 0.0000146500000000, 0.0000283000000000 ]- atom: 67 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006652200000000, -0.0008286300000000, 0.0008455200000000 ] - [ -0.0007166500000000, -0.0009627100000000, -0.0010094900000000 ] - [ -0.0023114400000000, 0.0000228000000000, -0.0018511100000000 ] - [ -0.0023114400000000, -0.0000228000000000, 0.0018511100000000 ] - [ -0.0007166500000000, 0.0009627100000000, 0.0010094900000000 ] - [ -0.0006652200000000, 0.0008286300000000, -0.0008455200000000 ] - [ 0.0003061400000000, -0.0003861300000000, 0.0003641200000000 ] - [ 0.0000984800000000, -0.0001578700000000, -0.0006227800000000 ] - [ 0.0002103100000000, 0.0002082800000000, -0.0002460600000000 ] - [ 0.0002370700000000, 0.0001182200000000, 0.0001634800000000 ] - [ -0.0002206500000000, -0.0002164700000000, -0.0002727100000000 ] - [ -0.0000314400000000, 0.0000606500000000, 0.0003272300000000 ] - [ -0.0000314400000000, -0.0000606500000000, -0.0003272300000000 ] - [ -0.0002206500000000, 0.0002164700000000, 0.0002727100000000 ] - [ 0.0000984800000000, 0.0001578700000000, 0.0006227800000000 ] - [ 0.0003061400000000, 0.0003861300000000, -0.0003641200000000 ] - [ 0.0002370700000000, -0.0001182200000000, -0.0001634800000000 ] - [ 0.0002103100000000, -0.0002082800000000, 0.0002460600000000 ] - [ -0.0000149300000000, -0.0000564100000000, 0.0008166800000000 ] - [ 0.0000348000000000, 0.0000151300000000, -0.0000390100000000 ] - [ 0.0009951300000000, -0.0004846600000000, -0.0006013400000000 ] - [ -0.0000210900000000, 0.0000276300000000, 0.0001599600000000 ] - [ 0.0010088700000000, 0.0006226900000000, -0.0000099400000000 ] - [ 0.0001458800000000, -0.0000106200000000, 0.0001052100000000 ] - [ 0.0001458800000000, 0.0000106200000000, -0.0001052100000000 ] - [ 0.0010088700000000, -0.0006226900000000, 0.0000099400000000 ] - [ 0.0000348000000000, -0.0000151300000000, 0.0000390100000000 ] - [ -0.0000149300000000, 0.0000564100000000, -0.0008166800000000 ] - [ -0.0000210900000000, -0.0000276300000000, -0.0001599600000000 ] - [ 0.0009951300000000, 0.0004846600000000, 0.0006013400000000 ] - [ -0.0161154100000000, -0.0008571500000000, 0.0136327300000000 ] - [ 0.0000747800000000, 0.0000305200000000, 0.0000721200000000 ] - [ -0.0054420100000000, -0.0057533500000000, -0.0065808000000000 ] - [ 0.0000802000000000, 0.0000367000000000, -0.0001212700000000 ] - [ -0.0064366400000000, 0.0056957500000000, -0.0067950400000000 ] - [ 0.0000557000000000, -0.0000372700000000, -0.0000927800000000 ] - [ 0.0000557000000000, 0.0000372700000000, 0.0000927800000000 ] - [ -0.0064366400000000, -0.0056957500000000, 0.0067950400000000 ] - [ 0.0000747800000000, -0.0000305200000000, -0.0000721200000000 ] - [ -0.0161154100000000, 0.0008571500000000, -0.0136327300000000 ] - [ 0.0000802000000000, -0.0000367000000000, 0.0001212700000000 ] - [ -0.0054420100000000, 0.0057533500000000, 0.0065808000000000 ] - [ 0.0000311800000000, -0.0000008700000000, 0.0000864500000000 ] - [ 0.0038302900000000, 0.0007103700000000, 0.0005140200000000 ] - [ 0.0000239100000000, -0.0000787800000000, 0.0001017900000000 ] - [ -0.0001478300000000, 0.0004996800000000, -0.0000409000000000 ] - [ -0.0000501700000000, -0.0000211800000000, 0.0000943800000000 ] - [ 0.0018992500000000, -0.0028201700000000, -0.0001882800000000 ] - [ 0.0018992500000000, 0.0028201700000000, 0.0001882800000000 ] - [ -0.0000501700000000, 0.0000211800000000, -0.0000943800000000 ] - [ 0.0038302900000000, -0.0007103700000000, -0.0005140200000000 ] - [ 0.0000311800000000, 0.0000008700000000, -0.0000864500000000 ] - [ -0.0001478300000000, -0.0004996800000000, 0.0000409000000000 ] - [ 0.0000239100000000, 0.0000787800000000, -0.0001017900000000 ] - [ 0.0001520700000000, -0.0000150600000000, 0.0000340400000000 ] - [ -0.0060536100000000, 0.0008163600000000, 0.0059873800000000 ] - [ 0.0000117600000000, -0.0000290100000000, -0.0000031900000000 ] - [ -0.0004475300000000, -0.0041579000000000, -0.0035826000000000 ] - [ 0.0000430500000000, 0.0000155900000000, -0.0000394100000000 ] - [ 0.0010008300000000, 0.0033463900000000, -0.0024651100000000 ] - [ 0.0010008300000000, -0.0033463900000000, 0.0024651100000000 ] - [ 0.0000430500000000, -0.0000155900000000, 0.0000394100000000 ] - [ -0.0060536100000000, -0.0008163600000000, -0.0059873800000000 ] - [ 0.0001520700000000, 0.0000150600000000, -0.0000340400000000 ] - [ -0.0004475300000000, 0.0041579000000000, 0.0035826000000000 ] - [ 0.0000117600000000, 0.0000290100000000, 0.0000031900000000 ] - [ 0.0682121700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000424600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0006286000000000, -0.0000649600000000, -0.0001522300000000 ] - [ -0.0000078600000000, -0.0000080500000000, -0.0001664100000000 ] - [ -0.0000078600000000, 0.0000080500000000, 0.0001664100000000 ] - [ -0.0006286000000000, 0.0000649600000000, 0.0001522300000000 ] - [ -0.0020722800000000, -0.0088279800000000, -0.0001084200000000 ] - [ 0.0000021800000000, 0.0000324100000000, -0.0000102400000000 ] - [ -0.0175651200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000441300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0020722800000000, 0.0088279800000000, 0.0001084200000000 ] - [ 0.0000021800000000, -0.0000324100000000, 0.0000102400000000 ] - [ -0.0001309100000000, -0.0001994600000000, -0.0004269400000000 ] - [ -0.0000821700000000, -0.0002358200000000, 0.0005319200000000 ] - [ -0.0004500600000000, 0.0000570200000000, 0.0009612800000000 ] - [ -0.0004500600000000, -0.0000570200000000, -0.0009612800000000 ] - [ -0.0000821700000000, 0.0002358200000000, -0.0005319200000000 ] - [ -0.0001309100000000, 0.0001994600000000, 0.0004269400000000 ] - [ 0.0000150100000000, -0.0000701500000000, 0.0000314800000000 ] - [ -0.0003349900000000, 0.0005370300000000, 0.0000180900000000 ] - [ -0.0003349900000000, -0.0005370300000000, -0.0000180900000000 ] - [ 0.0000150100000000, 0.0000701500000000, -0.0000314800000000 ] - [ -0.0002092500000000, 0.0001516300000000, 0.0000388900000000 ] - [ -0.0002229200000000, -0.0002893700000000, 0.0000313000000000 ] - [ -0.0002229200000000, 0.0002893700000000, -0.0000313000000000 ] - [ -0.0002092500000000, -0.0001516300000000, -0.0000388900000000 ] - [ -0.0005769300000000, 0.0000158300000000, -0.0000283600000000 ] - [ 0.0078110000000000, 0.0000935700000000, 0.0000046000000000 ] - [ 0.0078110000000000, -0.0000935700000000, -0.0000046000000000 ] - [ -0.0005769300000000, -0.0000158300000000, 0.0000283600000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009574200000000, 0.0014798500000000, -0.0038713800000000 ] - [ -0.0007786000000000, -0.0015253400000000, -0.0038670700000000 ] - [ -0.0017603000000000, 0.0000892200000000, -0.0038713800000000 ] - [ 0.0017102900000000, 0.0000883800000000, -0.0038670700000000 ] - [ 0.0008028800000000, -0.0015690800000000, -0.0038713800000000 ] - [ -0.0009316800000000, 0.0014369600000000, -0.0038670700000000 ] - [ -0.0010904100000000, 0.0011539300000000, -0.0007368100000000 ] - [ 0.0007003100000000, -0.0007934100000000, -0.0009309400000000 ] - [ 0.0015445400000000, 0.0003673600000000, -0.0007368100000000 ] - [ -0.0010372700000000, -0.0002097800000000, -0.0009309400000000 ] - [ -0.0004541300000000, -0.0015212900000000, -0.0007368100000000 ] - [ 0.0003369600000000, 0.0010032000000000, -0.0009309400000000 ] - [ -0.0003137400000000, 0.0010394300000000, -0.0008300100000000 ] - [ 0.0004776900000000, -0.0014869500000000, -0.0006471100000000 ] - [ -0.0007433000000000, -0.0007914200000000, -0.0008300100000000 ] - [ 0.0010488900000000, 0.0011571700000000, -0.0006471100000000 ] - [ 0.0010570400000000, -0.0002480100000000, -0.0008300100000000 ] - [ -0.0015265800000000, 0.0003297800000000, -0.0006471100000000 ] - [ 0.0008827100000000, 0.0013257000000000, 0.0019525800000000 ] - [ -0.0002258400000000, -0.0003455400000000, -0.0017828400000000 ] - [ 0.0007067400000000, -0.0014273000000000, 0.0019525800000000 ] - [ -0.0001863300000000, 0.0003683600000000, -0.0017828400000000 ] - [ -0.0015894500000000, 0.0001016000000000, 0.0019525800000000 ] - [ 0.0004121700000000, -0.0000228100000000, -0.0017828400000000 ] - [ -0.0003160300000000, -0.0000345700000000, -0.0019295900000000 ] - [ 0.0016853200000000, 0.0000897400000000, 0.0017927900000000 ] - [ 0.0001879500000000, -0.0002564000000000, -0.0019295900000000 ] - [ -0.0009203800000000, 0.0014146600000000, 0.0017927900000000 ] - [ 0.0001280800000000, 0.0002909700000000, -0.0019295900000000 ] - [ -0.0007649400000000, -0.0015044000000000, 0.0017927900000000 ] - [ -0.0096069700000000, -0.0009461100000000, 0.0136260100000000 ] - [ -0.0017635800000000, -0.0000082200000000, -0.0031910100000000 ] - [ 0.0039841300000000, 0.0087929300000000, 0.0136260100000000 ] - [ 0.0008746700000000, 0.0015314100000000, -0.0031910100000000 ] - [ 0.0056228400000000, -0.0078468200000000, 0.0136260100000000 ] - [ 0.0008889100000000, -0.0015231900000000, -0.0031910100000000 ] - [ -0.0009053200000000, -0.0014834800000000, -0.0031012400000000 ] - [ -0.0053643300000000, -0.0073722700000000, 0.0131404700000000 ] - [ 0.0017373900000000, -0.0000422900000000, -0.0031012400000000 ] - [ 0.0090667400000000, -0.0009595100000000, 0.0131404700000000 ] - [ -0.0008320700000000, 0.0015257700000000, -0.0031012400000000 ] - [ -0.0037024100000000, 0.0083317800000000, 0.0131404700000000 ] - [ -0.0004075600000000, -0.0005620500000000, -0.0020613900000000 ] - [ 0.0008780500000000, 0.0011081600000000, 0.0036755700000000 ] - [ -0.0002829700000000, 0.0006339800000000, -0.0020613900000000 ] - [ 0.0005206700000000, -0.0013145000000000, 0.0036755700000000 ] - [ 0.0006905300000000, -0.0000719300000000, -0.0020613900000000 ] - [ -0.0013987200000000, 0.0002063300000000, 0.0036755700000000 ] - [ 0.0012889100000000, 0.0001846800000000, 0.0034840900000000 ] - [ -0.0007846400000000, -0.0000877400000000, -0.0022510000000000 ] - [ -0.0008043900000000, 0.0010238900000000, 0.0034840900000000 ] - [ 0.0004683000000000, -0.0006356500000000, -0.0022510000000000 ] - [ -0.0004845200000000, -0.0012085700000000, 0.0034840900000000 ] - [ 0.0003163300000000, 0.0007233800000000, -0.0022510000000000 ] - [ 0.0014966900000000, -0.0001226600000000, 0.0026173700000000 ] - [ -0.0090194600000000, 0.0007793600000000, 0.0009373100000000 ] - [ -0.0008545700000000, -0.0012348400000000, 0.0026173700000000 ] - [ 0.0051846800000000, 0.0074214000000000, 0.0009373100000000 ] - [ -0.0006421200000000, 0.0013575000000000, 0.0026173700000000 ] - [ 0.0038347800000000, -0.0082007700000000, 0.0009373100000000 ] - [ -0.0038838900000000, -0.0083383000000000, 0.0009112800000000 ] - [ 0.0006011600000000, 0.0012401900000000, 0.0026230300000000 ] - [ 0.0091631200000000, 0.0008056000000000, 0.0009112800000000 ] - [ -0.0013746200000000, -0.0000994800000000, 0.0026230300000000 ] - [ -0.0052792300000000, 0.0075327000000000, 0.0009112800000000 ] - [ 0.0007734600000000, -0.0011407100000000, 0.0026230300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1505668600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0069039400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035867500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032421900000000 ] - [ -0.0004316800000000, 0.0002399400000000, -0.0086313500000000 ] - [ 0.0005738000000000, -0.0002887600000000, 0.0027774300000000 ] - [ 0.0000080400000000, -0.0004938100000000, -0.0086313500000000 ] - [ -0.0000368300000000, 0.0006413100000000, 0.0027774300000000 ] - [ 0.0004236300000000, 0.0002538700000000, -0.0086313500000000 ] - [ -0.0005369700000000, -0.0003525500000000, 0.0027774300000000 ] - [ 0.0014163300000000, 0.0024501200000000, 0.0020467000000000 ] - [ -0.0014135800000000, -0.0024484900000000, 0.0020500100000000 ] - [ -0.0028300300000000, 0.0000015200000000, 0.0020467000000000 ] - [ 0.0028272400000000, 0.0000000400000000, 0.0020500100000000 ] - [ 0.0014137000000000, -0.0024516400000000, 0.0020467000000000 ] - [ -0.0014136600000000, 0.0024484400000000, 0.0020500100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025082800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034039700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024487500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019100600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008863800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009707600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018402800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0403528500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0414972900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042112900000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007980500000000, -0.0004946700000000, -0.0007025500000000 ] - [ 0.0000378300000000, 0.0000508100000000, 0.0000775300000000 ] - [ -0.0008403800000000, 0.0005375200000000, -0.0000245200000000 ] - [ -0.0000934500000000, -0.0000152800000000, 0.0000445500000000 ] - [ 0.0001103700000000, -0.0000086100000000, 0.0007089700000000 ] - [ -0.0000448000000000, 0.0000619200000000, -0.0001206600000000 ] - [ 0.0076748000000000, -0.0078069900000000, -0.0103462000000000 ] - [ -0.0000997100000000, 0.0000142900000000, -0.0001129900000000 ] - [ 0.0189635200000000, 0.0013153900000000, 0.0183814200000000 ] - [ -0.0000893500000000, 0.0000147500000000, 0.0000454600000000 ] - [ 0.0053791400000000, 0.0063232500000000, -0.0077357400000000 ] - [ -0.0000583000000000, -0.0000265200000000, -0.0000788000000000 ] - [ -0.0011193600000000, 0.0003442900000000, -0.0007301500000000 ] - [ 0.0000139400000000, 0.0000687800000000, 0.0000533800000000 ] - [ 0.0000255400000000, 0.0002132100000000, 0.0006663100000000 ] - [ 0.0000100600000000, 0.0000312100000000, 0.0000358900000000 ] - [ -0.0006453100000000, -0.0007708700000000, 0.0001887400000000 ] - [ -0.0000050400000000, -0.0000024500000000, 0.0000573600000000 ] - [ -0.0027534600000000, -0.0007526100000000, 0.0001316600000000 ] - [ 0.0000072200000000, 0.0000034500000000, 0.0000666700000000 ] - [ 0.0000331300000000, -0.0002216000000000, 0.0000612800000000 ] - [ -0.0000445800000000, 0.0000726700000000, 0.0000790500000000 ] - [ -0.0016918600000000, 0.0019432800000000, 0.0000334400000000 ] - [ 0.0000691800000000, 0.0000104500000000, 0.0000778500000000 ] - [ 0.0023698900000000, 0.0002173100000000, -0.0019057700000000 ] - [ 0.0023875400000000, 0.0002190300000000, 0.0016158800000000 ] - [ 0.0008821100000000, -0.0009329900000000, 0.0009487700000000 ] - [ 0.0008832000000000, -0.0009948500000000, -0.0010645900000000 ] - [ 0.0005467500000000, 0.0008241500000000, 0.0007370400000000 ] - [ 0.0005006600000000, 0.0008080800000000, -0.0007778600000000 ] - [ -0.0019001300000000, -0.0028635300000000, -0.0003443900000000 ] - [ 0.0000016900000000, -0.0000043400000000, -0.0000452200000000 ] - [ -0.0000332500000000, 0.0007317800000000, -0.0002695300000000 ] - [ 0.0000109600000000, -0.0000299100000000, -0.0000409100000000 ] - [ -0.0040882600000000, 0.0004669100000000, 0.0004809300000000 ] - [ 0.0000075200000000, -0.0000758500000000, -0.0000538400000000 ] - [ -0.0000285800000000, -0.0000736700000000, -0.0002859100000000 ] - [ 0.0001924100000000, 0.0002826300000000, 0.0002900400000000 ] - [ -0.0002290900000000, -0.0000902200000000, -0.0000846500000000 ] - [ -0.0002158100000000, -0.0001389700000000, 0.0002520900000000 ] - [ -0.0000776000000000, 0.0000802200000000, 0.0004963100000000 ] - [ -0.0003088300000000, 0.0004065700000000, -0.0003923400000000 ] - [ 0.0000588600000000, 0.0000694100000000, 0.0001022500000000 ] - [ 0.0000174100000000, 0.0002037400000000, -0.0004235500000000 ] - [ 0.0000073200000000, 0.0000104500000000, 0.0000885300000000 ] - [ -0.0013270900000000, 0.0001577200000000, 0.0007459600000000 ] - [ -0.0000616800000000, 0.0000191500000000, 0.0000882500000000 ] - [ -0.0007663200000000, -0.0009621600000000, -0.0000204200000000 ] - [ 0.0176001000000000, 0.0018298100000000, -0.0162498200000000 ] - [ -0.0001455500000000, -0.0000212100000000, -0.0001857200000000 ] - [ 0.0075607700000000, -0.0072338100000000, 0.0090266200000000 ] - [ -0.0000485800000000, -0.0000225000000000, -0.0000364700000000 ] - [ 0.0047135500000000, 0.0059673700000000, 0.0065362400000000 ] - [ -0.0000498200000000, 0.0000248600000000, -0.0000600200000000 ] - [ 0.0002834100000000, -0.0001445900000000, -0.0005595100000000 ] - [ 0.0001731200000000, -0.0001208000000000, 0.0004676000000000 ] - [ 0.0003138400000000, 0.0000583200000000, 0.0010256400000000 ] - [ 0.0002109600000000, -0.0000491600000000, -0.0007929600000000 ] - [ 0.0000761600000000, 0.0001680700000000, -0.0004682900000000 ] - [ 0.0000827800000000, 0.0001270000000000, 0.0003131700000000 ] - [ 0.0170365300000000, -0.0002705800000000, 0.0004602000000000 ] - [ -0.0000260300000000, -0.0000634300000000, -0.0000010800000000 ] - [ 0.0020967000000000, -0.0087871800000000, -0.0002932500000000 ] - [ 0.0000652400000000, 0.0000179100000000, 0.0000002200000000 ] - [ 0.0020238500000000, 0.0084577200000000, -0.0001531400000000 ] - [ -0.0000239200000000, 0.0000310800000000, 0.0000111700000000 ] - [ 0.0006282700000000, -0.0000544400000000, -0.0000113500000000 ] - [ 0.0000077100000000, -0.0000075800000000, 0.0000036300000000 ] - [ -0.0747571000000000, -0.0000765300000000, -0.0001907400000000 ] - [ -0.0000369900000000, -0.0000002400000000, -0.0001629300000000 ] - [ 0.0000172600000000, -0.0000362000000000, 0.0001711600000000 ] - [ 0.0000756000000000, 0.0000542400000000, 0.0001555300000000 ] - [ 0.0006959200000000, -0.0046901400000000, -0.0033502200000000 ] - [ -0.0000104000000000, 0.0000740700000000, -0.0000377400000000 ] - [ -0.0010320300000000, 0.0039405300000000, -0.0024661100000000 ] - [ -0.0000900400000000, -0.0000267100000000, -0.0000402400000000 ] - [ 0.0073580600000000, 0.0010308700000000, 0.0057654300000000 ] - [ -0.0000767500000000, -0.0000005200000000, 0.0000794400000000 ] - [ -0.0000855100000000, -0.0034930300000000, 0.0022997300000000 ] - [ -0.0000295900000000, 0.0000390700000000, 0.0000497500000000 ] - [ 0.0000164100000000, 0.0039018700000000, 0.0025378500000000 ] - [ -0.0000458800000000, -0.0000050000000000, 0.0000217500000000 ] - [ 0.0063590100000000, 0.0001321500000000, -0.0047963000000000 ] - [ -0.0000790600000000, 0.0000466300000000, -0.0000706300000000 ] - [ 0.0006274000000000, 0.0000268300000000, 0.0000302200000000 ] - [ -0.0078505500000000, -0.0001486500000000, 0.0000456100000000 ] - [ 0.0005670800000000, 0.0003634000000000, -0.0000389800000000 ] - [ -0.0000213800000000, -0.0000228000000000, -0.0000306400000000 ] - [ -0.0087071800000000, -0.0001173200000000, 0.0000138200000000 ] - [ 0.0005522700000000, 0.0000228700000000, 0.0000385700000000 ] - [ 0.0005249300000000, 0.0001655500000000, -0.0000300400000000 ] - [ -0.0000275200000000, -0.0000165400000000, -0.0000371500000000 ] - [ 0.0002895500000000, 0.0003322800000000, -0.0000198100000000 ] - [ 0.0001422600000000, -0.0002157800000000, -0.0000276800000000 ] - [ 0.0001990800000000, -0.0004909100000000, 0.0000365900000000 ] - [ -0.0000247300000000, 0.0000668100000000, 0.0000258500000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008171300000000, 0.0005221700000000, 0.0006892600000000 ] - [ -0.0000110400000000, -0.0000042300000000, -0.0000764600000000 ] - [ 0.0007850400000000, -0.0005376300000000, 0.0000145800000000 ] - [ 0.0000408300000000, 0.0000162300000000, -0.0000439400000000 ] - [ -0.0000806200000000, -0.0000474000000000, -0.0007218400000000 ] - [ 0.0000734800000000, -0.0001095600000000, 0.0001218000000000 ] - [ -0.0076585400000000, 0.0079150300000000, 0.0104332100000000 ] - [ 0.0000573300000000, -0.0000184800000000, 0.0000146800000000 ] - [ -0.0186859700000000, -0.0012400400000000, -0.0178883000000000 ] - [ 0.0001034900000000, 0.0000233200000000, -0.0001404000000000 ] - [ -0.0052836200000000, -0.0064190600000000, 0.0077501700000000 ] - [ 0.0000804300000000, -0.0000083500000000, -0.0000208200000000 ] - [ 0.0011443300000000, -0.0003036800000000, 0.0008073800000000 ] - [ 0.0000143100000000, -0.0000409100000000, 0.0000443600000000 ] - [ -0.0000594300000000, -0.0001970700000000, -0.0005810600000000 ] - [ -0.0000475000000000, -0.0000229000000000, 0.0000620600000000 ] - [ 0.0006508700000000, 0.0007340200000000, -0.0001010800000000 ] - [ 0.0000154300000000, -0.0000341100000000, 0.0000404100000000 ] - [ 0.0027199700000000, 0.0006980600000000, 0.0000197700000000 ] - [ -0.0000458100000000, -0.0000947000000000, 0.0000824800000000 ] - [ -0.0000963600000000, 0.0003098600000000, 0.0000888000000000 ] - [ -0.0000137700000000, 0.0000060700000000, 0.0000701000000000 ] - [ 0.0017757300000000, -0.0019173900000000, 0.0001178000000000 ] - [ 0.0000304600000000, 0.0000006300000000, 0.0000709700000000 ] - [ -0.0022662100000000, -0.0002280100000000, 0.0017420800000000 ] - [ -0.0022861300000000, -0.0002299000000000, -0.0017501900000000 ] - [ -0.0009141800000000, 0.0010133400000000, -0.0010894900000000 ] - [ -0.0009168000000000, 0.0010786400000000, 0.0009081100000000 ] - [ -0.0005981100000000, -0.0008846500000000, -0.0008727400000000 ] - [ -0.0005513500000000, -0.0008678900000000, 0.0006154700000000 ] - [ 0.0018507700000000, 0.0028731100000000, 0.0002544200000000 ] - [ -0.0000342900000000, 0.0000376300000000, -0.0000489700000000 ] - [ 0.0000781200000000, -0.0007339400000000, 0.0001804000000000 ] - [ 0.0000338700000000, 0.0000397600000000, -0.0000520900000000 ] - [ 0.0040805400000000, -0.0005498800000000, -0.0005679300000000 ] - [ -0.0000225900000000, 0.0000302100000000, -0.0000391900000000 ] - [ 0.0000121800000000, 0.0001116000000000, 0.0003695200000000 ] - [ -0.0002041600000000, -0.0002398600000000, -0.0001914800000000 ] - [ 0.0002014100000000, 0.0000535700000000, 0.0001699200000000 ] - [ 0.0001853000000000, 0.0001032500000000, -0.0001537500000000 ] - [ 0.0001223000000000, -0.0000929700000000, -0.0004136300000000 ] - [ 0.0003561200000000, -0.0004251100000000, 0.0004952200000000 ] - [ 0.0000040300000000, 0.0000061400000000, 0.0000838700000000 ] - [ 0.0000513400000000, -0.0001159700000000, 0.0006247700000000 ] - [ 0.0000282900000000, -0.0001018500000000, 0.0000971700000000 ] - [ 0.0013636800000000, -0.0002376100000000, -0.0005418900000000 ] - [ -0.0000369300000000, -0.0000028000000000, 0.0000981400000000 ] - [ 0.0006607300000000, 0.0009813500000000, 0.0002192700000000 ] - [ -0.0174486800000000, -0.0017984900000000, 0.0155317900000000 ] - [ 0.0000529200000000, 0.0000053800000000, -0.0000042000000000 ] - [ -0.0074594000000000, 0.0072739500000000, -0.0093941600000000 ] - [ 0.0001068000000000, -0.0000488000000000, -0.0001505200000000 ] - [ -0.0046143900000000, -0.0059362200000000, -0.0068208900000000 ] - [ 0.0000815500000000, 0.0000631300000000, -0.0001274600000000 ] - [ -0.0001566300000000, 0.0001127800000000, 0.0005547700000000 ] - [ -0.0000499000000000, 0.0000908500000000, -0.0004736000000000 ] - [ -0.0004044100000000, -0.0001452600000000, -0.0010174800000000 ] - [ -0.0002983500000000, -0.0000372200000000, 0.0007771000000000 ] - [ -0.0001040200000000, -0.0000460800000000, 0.0004605100000000 ] - [ -0.0001106600000000, -0.0000094100000000, -0.0003155900000000 ] - [ -0.0168579900000000, 0.0001531200000000, -0.0004454200000000 ] - [ -0.0000136900000000, -0.0000468900000000, 0.0000077100000000 ] - [ -0.0019496900000000, 0.0088303700000000, 0.0003012400000000 ] - [ 0.0000488000000000, 0.0000041600000000, 0.0000069200000000 ] - [ -0.0020555600000000, -0.0083697200000000, 0.0001578000000000 ] - [ -0.0000520200000000, 0.0000575100000000, -0.0000044000000000 ] - [ -0.0006266600000000, 0.0000653100000000, -0.0000113300000000 ] - [ -0.0000080100000000, 0.0000075600000000, 0.0000036200000000 ] - [ 0.0739766600000000, -0.0000766200000000, -0.0001898100000000 ] - [ 0.0000377200000000, -0.0000003100000000, -0.0001629000000000 ] - [ -0.0000185400000000, 0.0000348500000000, 0.0001709600000000 ] - [ -0.0000773000000000, -0.0000558800000000, 0.0001554700000000 ] - [ -0.0006984400000000, 0.0047361500000000, 0.0033282700000000 ] - [ 0.0000438500000000, -0.0000078800000000, 0.0000380800000000 ] - [ 0.0009281500000000, -0.0039446900000000, 0.0024510600000000 ] - [ 0.0000159400000000, 0.0000217100000000, 0.0000397200000000 ] - [ -0.0073515900000000, -0.0011036000000000, -0.0058302100000000 ] - [ 0.0001162800000000, -0.0000619000000000, -0.0000763500000000 ] - [ 0.0000474900000000, 0.0034830900000000, -0.0022897200000000 ] - [ 0.0000216800000000, -0.0000464700000000, -0.0000485900000000 ] - [ -0.0000279900000000, -0.0038939000000000, -0.0025200300000000 ] - [ 0.0000547700000000, 0.0000009200000000, -0.0000198200000000 ] - [ -0.0063895400000000, -0.0001242900000000, 0.0048509900000000 ] - [ 0.0000762300000000, -0.0000361900000000, 0.0000692000000000 ] - [ -0.0006182400000000, -0.0000279400000000, 0.0000298600000000 ] - [ 0.0078005100000000, 0.0001297700000000, 0.0000459800000000 ] - [ -0.0005676200000000, -0.0003729600000000, -0.0000388400000000 ] - [ 0.0000172600000000, 0.0000241400000000, -0.0000304900000000 ] - [ 0.0086511000000000, 0.0001006800000000, 0.0000130700000000 ] - [ -0.0005432900000000, -0.0000225300000000, 0.0000387400000000 ] - [ -0.0005249000000000, -0.0001765500000000, -0.0000299300000000 ] - [ 0.0000240400000000, 0.0000184300000000, -0.0000370300000000 ] - [ -0.0002915000000000, -0.0003259900000000, -0.0000200600000000 ] - [ -0.0001445600000000, 0.0002180900000000, -0.0000275300000000 ] - [ -0.0001895600000000, 0.0005028800000000, 0.0000368100000000 ] - [ 0.0000272900000000, -0.0000670600000000, 0.0000257400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008977600000000, -0.0011413600000000, 0.0014746000000000 ] - [ 0.0002353800000000, 0.0002513500000000, -0.0015772500000000 ] - [ 0.0014373300000000, -0.0002068000000000, 0.0014746000000000 ] - [ -0.0003353700000000, 0.0000781700000000, -0.0015772500000000 ] - [ -0.0005395700000000, 0.0013481600000000, 0.0014746000000000 ] - [ 0.0000999900000000, -0.0003295200000000, -0.0015772500000000 ] - [ -0.0078688000000000, 0.0117858100000000, 0.0175287500000000 ] - [ -0.0008494200000000, 0.0011845400000000, -0.0030810900000000 ] - [ 0.0141412100000000, 0.0009216800000000, 0.0175287500000000 ] - [ 0.0014505500000000, 0.0001433400000000, -0.0030810900000000 ] - [ -0.0062724100000000, -0.0127074800000000, 0.0175287500000000 ] - [ -0.0006011400000000, -0.0013278900000000, -0.0030810900000000 ] - [ -0.0010023300000000, 0.0016919000000000, 0.0013885700000000 ] - [ 0.0005466700000000, -0.0008619100000000, -0.0014333700000000 ] - [ -0.0009640700000000, -0.0017139900000000, 0.0013885700000000 ] - [ 0.0004731000000000, 0.0009043900000000, -0.0014333700000000 ] - [ 0.0019664000000000, 0.0000220900000000, 0.0013885700000000 ] - [ -0.0010197700000000, -0.0000424800000000, -0.0014333700000000 ] - [ 0.0000165300000000, 0.0002261300000000, 0.0037574100000000 ] - [ -0.0000137200000000, -0.0001208700000000, -0.0019552300000000 ] - [ 0.0001875700000000, -0.0001273800000000, 0.0037574100000000 ] - [ -0.0000978100000000, 0.0000723200000000, -0.0019552300000000 ] - [ -0.0002041000000000, -0.0000987500000000, 0.0037574100000000 ] - [ 0.0001115300000000, 0.0000485500000000, -0.0019552300000000 ] - [ 0.0025721300000000, 0.0003060200000000, -0.0048297900000000 ] - [ -0.0023446600000000, -0.0002190600000000, -0.0042799300000000 ] - [ -0.0015510900000000, 0.0020745200000000, -0.0048297900000000 ] - [ 0.0013620400000000, -0.0019210000000000, -0.0042799300000000 ] - [ -0.0010210500000000, -0.0023805400000000, -0.0048297900000000 ] - [ 0.0009826200000000, 0.0021400600000000, -0.0042799300000000 ] - [ 0.0012653000000000, 0.0003855500000000, 0.0036590500000000 ] - [ -0.0007208100000000, -0.0000909800000000, -0.0021570300000000 ] - [ -0.0002987500000000, -0.0012885500000000, 0.0036590500000000 ] - [ 0.0002816100000000, 0.0006697300000000, -0.0021570300000000 ] - [ -0.0009665400000000, 0.0009030100000000, 0.0036590500000000 ] - [ 0.0004392000000000, -0.0005787400000000, -0.0021570300000000 ] - [ 0.0003955400000000, 0.0008829200000000, -0.0008961600000000 ] - [ -0.0005646300000000, -0.0014111800000000, -0.0005268700000000 ] - [ -0.0009624000000000, -0.0000989100000000, -0.0008961600000000 ] - [ 0.0015044300000000, 0.0002166100000000, -0.0005268700000000 ] - [ 0.0005668600000000, -0.0007840100000000, -0.0008961600000000 ] - [ -0.0009398000000000, 0.0011945700000000, -0.0005268700000000 ] - [ -0.0004839300000000, -0.0008439600000000, -0.0015392000000000 ] - [ 0.0009929600000000, 0.0016899200000000, 0.0017960000000000 ] - [ -0.0004889300000000, 0.0008410700000000, -0.0015392000000000 ] - [ 0.0009670400000000, -0.0017048900000000, 0.0017960000000000 ] - [ 0.0009728500000000, 0.0000028900000000, -0.0015392000000000 ] - [ -0.0019600000000000, 0.0000149700000000, 0.0017960000000000 ] - [ -0.0110821100000000, -0.0014256100000000, 0.0139395600000000 ] - [ -0.0017774000000000, -0.0001745700000000, -0.0032866100000000 ] - [ 0.0067756700000000, -0.0088845900000000, 0.0139395600000000 ] - [ 0.0010398800000000, -0.0014519900000000, -0.0032866100000000 ] - [ 0.0043064400000000, 0.0103101900000000, 0.0139395600000000 ] - [ 0.0007375200000000, 0.0016265600000000, -0.0032866100000000 ] - [ -0.0019567100000000, 0.0030578700000000, 0.0023228300000000 ] - [ 0.0017715900000000, -0.0027641600000000, 0.0023996700000000 ] - [ 0.0036265400000000, 0.0001656300000000, 0.0023228300000000 ] - [ -0.0032796300000000, -0.0001521600000000, 0.0023996700000000 ] - [ -0.0016698400000000, -0.0032234900000000, 0.0023228300000000 ] - [ 0.0015080400000000, 0.0029163200000000, 0.0023996700000000 ] - [ 0.0013870900000000, -0.0003020300000000, -0.0089713800000000 ] - [ -0.0000660200000000, 0.0002348200000000, 0.0026988000000000 ] - [ -0.0004319800000000, 0.0013522700000000, -0.0089713800000000 ] - [ -0.0001703500000000, -0.0001745800000000, 0.0026988000000000 ] - [ -0.0009551100000000, -0.0010502400000000, -0.0089713800000000 ] - [ 0.0002363700000000, -0.0000602400000000, 0.0026988000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034046800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034464200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1638902500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067898600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014302900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010226100000000 ] - [ -0.0062532900000000, 0.0087489700000000, -0.0000940800000000 ] - [ 0.0011723200000000, -0.0013362700000000, 0.0027252300000000 ] - [ -0.0044501800000000, -0.0097899900000000, -0.0000940800000000 ] - [ 0.0005710800000000, 0.0016833900000000, 0.0027252300000000 ] - [ 0.0107034700000000, 0.0010410300000000, -0.0000940800000000 ] - [ -0.0017434000000000, -0.0003471200000000, 0.0027252300000000 ] - [ 0.0045090300000000, -0.0074001600000000, 0.0000246800000000 ] - [ -0.0008850700000000, 0.0011103300000000, 0.0021856700000000 ] - [ 0.0041542100000000, 0.0076050100000000, 0.0000246800000000 ] - [ -0.0005190400000000, -0.0013216600000000, 0.0021856700000000 ] - [ -0.0086632400000000, -0.0002048600000000, 0.0000246800000000 ] - [ 0.0014041100000000, 0.0002113300000000, 0.0021856700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045963200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0410802200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047139200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024059500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0447548600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043164600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041353500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007739100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016886000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021675000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0009215000000000, 0.0011843500000000, -0.0014645900000000 ] - [ -0.0002099200000000, -0.0002075700000000, 0.0015748900000000 ] - [ -0.0014864300000000, 0.0002058700000000, -0.0014645900000000 ] - [ 0.0002847200000000, -0.0000780100000000, 0.0015748900000000 ] - [ 0.0005649300000000, -0.0013902200000000, -0.0014645900000000 ] - [ -0.0000748000000000, 0.0002855800000000, 0.0015748900000000 ] - [ 0.0074740300000000, -0.0112802800000000, -0.0169201700000000 ] - [ 0.0008151300000000, -0.0011971100000000, 0.0029893300000000 ] - [ -0.0135060200000000, -0.0008325600000000, -0.0169201700000000 ] - [ -0.0014442900000000, -0.0001073700000000, 0.0029893300000000 ] - [ 0.0060319900000000, 0.0121128400000000, -0.0169201700000000 ] - [ 0.0006291600000000, 0.0013044800000000, 0.0029893300000000 ] - [ 0.0010266000000000, -0.0016593100000000, -0.0012845900000000 ] - [ -0.0005226700000000, 0.0008939500000000, 0.0015270000000000 ] - [ 0.0009237100000000, 0.0017187200000000, -0.0012845900000000 ] - [ -0.0005128500000000, -0.0008996200000000, 0.0015270000000000 ] - [ -0.0019503100000000, -0.0000594000000000, -0.0012845900000000 ] - [ 0.0010355200000000, 0.0000056700000000, 0.0015270000000000 ] - [ -0.0000646200000000, -0.0003274900000000, -0.0036076900000000 ] - [ -0.0000240900000000, 0.0000321900000000, 0.0021055400000000 ] - [ -0.0002513000000000, 0.0002197100000000, -0.0036076900000000 ] - [ 0.0000399200000000, 0.0000047700000000, 0.0021055400000000 ] - [ 0.0003159200000000, 0.0001077800000000, -0.0036076900000000 ] - [ -0.0000158300000000, -0.0000369600000000, 0.0021055400000000 ] - [ -0.0024681000000000, -0.0003159900000000, 0.0046714300000000 ] - [ 0.0024464200000000, 0.0002083000000000, 0.0041372200000000 ] - [ 0.0015077100000000, -0.0019794400000000, 0.0046714300000000 ] - [ -0.0014036000000000, 0.0020145100000000, 0.0041372200000000 ] - [ 0.0009603900000000, 0.0022954300000000, 0.0046714300000000 ] - [ -0.0010428200000000, -0.0022228100000000, 0.0041372200000000 ] - [ -0.0012857500000000, -0.0003474700000000, -0.0037513200000000 ] - [ 0.0006833300000000, 0.0001248800000000, 0.0020655000000000 ] - [ 0.0003419600000000, 0.0012872300000000, -0.0037513200000000 ] - [ -0.0002335200000000, -0.0006542200000000, 0.0020655000000000 ] - [ 0.0009437900000000, -0.0009397600000000, -0.0037513200000000 ] - [ -0.0004498100000000, 0.0005293400000000, 0.0020655000000000 ] - [ -0.0004064600000000, -0.0008315500000000, 0.0009939600000000 ] - [ 0.0005533000000000, 0.0014605500000000, 0.0006120000000000 ] - [ 0.0009233800000000, 0.0000637700000000, 0.0009939600000000 ] - [ -0.0015415200000000, -0.0002511100000000, 0.0006120000000000 ] - [ -0.0005169100000000, 0.0007677800000000, 0.0009939600000000 ] - [ 0.0009882200000000, -0.0012094400000000, 0.0006120000000000 ] - [ 0.0005453800000000, 0.0009179400000000, 0.0017324500000000 ] - [ -0.0009340500000000, -0.0016183000000000, -0.0016148100000000 ] - [ 0.0005222700000000, -0.0009312900000000, 0.0017324500000000 ] - [ -0.0009344600000000, 0.0016180600000000, -0.0016148100000000 ] - [ -0.0010676500000000, 0.0000133500000000, 0.0017324500000000 ] - [ 0.0018685100000000, 0.0000002400000000, -0.0016148100000000 ] - [ 0.0115256700000000, 0.0014656400000000, -0.0147465700000000 ] - [ 0.0016742800000000, 0.0001576300000000, 0.0030945000000000 ] - [ -0.0070321200000000, 0.0092487000000000, -0.0147465700000000 ] - [ -0.0009736500000000, 0.0013711600000000, 0.0030945000000000 ] - [ -0.0044935500000000, -0.0107143500000000, -0.0147465700000000 ] - [ -0.0007006300000000, -0.0015287900000000, 0.0030945000000000 ] - [ 0.0020592300000000, -0.0030669400000000, -0.0023331500000000 ] - [ -0.0016667800000000, 0.0027537100000000, -0.0024017900000000 ] - [ -0.0036856600000000, -0.0002498800000000, -0.0023331500000000 ] - [ 0.0032181700000000, 0.0000666200000000, -0.0024017900000000 ] - [ 0.0016264300000000, 0.0033168200000000, -0.0023331500000000 ] - [ -0.0015513900000000, -0.0028203300000000, -0.0024017900000000 ] - [ -0.0015152000000000, 0.0001906400000000, 0.0089718100000000 ] - [ 0.0000328000000000, -0.0003451300000000, -0.0026931600000000 ] - [ 0.0005925000000000, -0.0014075200000000, 0.0089718100000000 ] - [ 0.0002824900000000, 0.0002009700000000, -0.0026931600000000 ] - [ 0.0009227000000000, 0.0012168900000000, 0.0089718100000000 ] - [ -0.0003152900000000, 0.0001441600000000, -0.0026931600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034245800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034541200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1632595300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071191000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011146700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006829700000000 ] - [ 0.0063055700000000, -0.0087100100000000, 0.0001379800000000 ] - [ -0.0011326900000000, 0.0013904300000000, -0.0027243000000000 ] - [ 0.0043903000000000, 0.0098157900000000, 0.0001379800000000 ] - [ -0.0006378000000000, -0.0016761500000000, -0.0027243000000000 ] - [ -0.0106958700000000, -0.0011057800000000, 0.0001379800000000 ] - [ 0.0017704900000000, 0.0002857200000000, -0.0027243000000000 ] - [ -0.0045071200000000, 0.0073749200000000, -0.0000604000000000 ] - [ 0.0008822300000000, -0.0011274200000000, -0.0021872400000000 ] - [ -0.0041333100000000, -0.0075907400000000, -0.0000604000000000 ] - [ 0.0005352600000000, 0.0013277400000000, -0.0021872400000000 ] - [ 0.0086404300000000, 0.0002158200000000, -0.0000604000000000 ] - [ -0.0014174900000000, -0.0002003200000000, -0.0021872400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024707200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0435743200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042525300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040494500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023870500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007108100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017362100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021140500000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009875200000000, -0.0012638000000000, 0.0009357100000000 ] - [ -0.0007291700000000, -0.0009251100000000, -0.0009606900000000 ] - [ 0.0003336100000000, -0.0000603100000000, -0.0000950300000000 ] - [ 0.0000274900000000, -0.0001052200000000, -0.0000829500000000 ] - [ -0.0000517900000000, -0.0000008600000000, 0.0002801900000000 ] - [ 0.0001035600000000, -0.0003430700000000, -0.0004472400000000 ] - [ -0.0007001700000000, 0.0008725500000000, 0.0007623100000000 ] - [ -0.0009745200000000, 0.0010079600000000, -0.0009729400000000 ] - [ 0.0011348400000000, -0.0000332500000000, 0.0004737000000000 ] - [ 0.0006350100000000, 0.0001516400000000, -0.0003382600000000 ] - [ -0.0003480900000000, -0.0000421400000000, 0.0010802600000000 ] - [ -0.0002559600000000, -0.0003431300000000, -0.0009761700000000 ] - [ 0.0003714600000000, -0.0009317100000000, -0.0012739500000000 ] - [ 0.0002178200000000, -0.0007367200000000, 0.0017369000000000 ] - [ 0.0006245200000000, 0.0008052400000000, -0.0011005000000000 ] - [ 0.0005571600000000, 0.0007420600000000, 0.0015938500000000 ] - [ -0.0024115800000000, 0.0002439200000000, -0.0014217500000000 ] - [ -0.0019507100000000, 0.0001705300000000, 0.0013466900000000 ] - [ -0.0021420000000000, -0.0020509200000000, -0.0022998700000000 ] - [ -0.0002268600000000, -0.0003576400000000, 0.0001337500000000 ] - [ -0.0016579500000000, 0.0024284200000000, -0.0025529600000000 ] - [ -0.0002056100000000, 0.0004492700000000, 0.0001551900000000 ] - [ 0.0015319800000000, 0.0003060000000000, 0.0023197600000000 ] - [ 0.0003548900000000, 0.0000023400000000, -0.0000747800000000 ] - [ -0.0000879900000000, -0.0000033900000000, -0.0002881300000000 ] - [ -0.0002916700000000, 0.0006607300000000, -0.0001224500000000 ] - [ 0.0000067000000000, -0.0000639500000000, -0.0001964200000000 ] - [ 0.0014296800000000, 0.0005315700000000, 0.0010697000000000 ] - [ 0.0001465500000000, 0.0002662200000000, -0.0000913700000000 ] - [ 0.0015952600000000, 0.0027363100000000, -0.0025205500000000 ] - [ -0.0010280800000000, -0.0006088100000000, 0.0004421000000000 ] - [ -0.0001818900000000, 0.0000149400000000, -0.0004127900000000 ] - [ 0.0041201800000000, -0.0010299400000000, 0.0012433500000000 ] - [ 0.0001085800000000, 0.0001570200000000, -0.0004646700000000 ] - [ 0.0000464200000000, -0.0010933300000000, 0.0007120100000000 ] - [ 0.0001296500000000, -0.0002732700000000, -0.0004478100000000 ] - [ 0.0000651000000000, 0.0002296500000000, -0.0000981500000000 ] - [ 0.0037557700000000, -0.0004311900000000, -0.0008476100000000 ] - [ -0.0001932300000000, -0.0000146300000000, -0.0001811700000000 ] - [ -0.0008965100000000, -0.0007824300000000, -0.0000860600000000 ] - [ 0.0001805700000000, -0.0002223500000000, -0.0001016500000000 ] - [ 0.0001769500000000, -0.0009765500000000, -0.0001945800000000 ] - [ 0.0001417200000000, 0.0001623400000000, -0.0002814600000000 ] - [ 0.0033121200000000, -0.0018640100000000, -0.0012218200000000 ] - [ 0.0000909500000000, -0.0001916700000000, -0.0002770500000000 ] - [ 0.0035024300000000, 0.0018837900000000, -0.0007221300000000 ] - [ -0.0001668000000000, 0.0000202100000000, -0.0003136100000000 ] - [ -0.0044397300000000, 0.0000896300000000, 0.0014663200000000 ] - [ 0.0041653100000000, 0.0004538900000000, -0.0001518100000000 ] - [ -0.0000153900000000, -0.0000019000000000, -0.0004223700000000 ] - [ -0.0012876900000000, 0.0023202700000000, 0.0008226500000000 ] - [ -0.0000016700000000, 0.0000020400000000, -0.0004142600000000 ] - [ 0.0041881000000000, 0.0023954400000000, -0.0015225600000000 ] - [ -0.0000105800000000, 0.0000005200000000, -0.0004184100000000 ] - [ -0.0001288300000000, -0.0004608200000000, 0.0003506000000000 ] - [ -0.0007160500000000, -0.0033903100000000, -0.0020743100000000 ] - [ -0.0003116800000000, 0.0003840200000000, 0.0003188500000000 ] - [ -0.0020446000000000, 0.0046468100000000, -0.0037153100000000 ] - [ 0.0005513700000000, 0.0001295200000000, 0.0002576400000000 ] - [ 0.0083473200000000, 0.0011800300000000, 0.0063116000000000 ] - [ -0.0001468700000000, 0.0060238300000000, 0.0038384000000000 ] - [ -0.0002594900000000, 0.0004165600000000, 0.0002521200000000 ] - [ -0.0019839700000000, -0.0047723200000000, 0.0028505900000000 ] - [ -0.0002135700000000, -0.0004273200000000, 0.0002772300000000 ] - [ 0.0070140200000000, 0.0011645800000000, -0.0035322800000000 ] - [ 0.0005267600000000, 0.0000643500000000, 0.0003766600000000 ] - [ 0.0020887500000000, 0.0088605600000000, -0.0004299400000000 ] - [ 0.0000148100000000, -0.0000027600000000, 0.0005565800000000 ] - [ 0.0007137000000000, -0.0049047700000000, -0.0064391100000000 ] - [ -0.0000267000000000, 0.0000096700000000, 0.0009915300000000 ] - [ -0.0000968000000000, 0.0000012400000000, 0.0019249100000000 ] - [ 0.0073796900000000, -0.0008757900000000, -0.0105935700000000 ] - [ -0.0643400700000000, 0.0037191600000000, -0.0033095900000000 ] - [ -0.0001814200000000, 0.0000161100000000, 0.0003018800000000 ] - [ 0.0019963900000000, -0.0037137400000000, -0.0010977800000000 ] - [ 0.0000639200000000, -0.0001920100000000, 0.0002736600000000 ] - [ 0.0054882200000000, 0.0016936400000000, -0.0008315900000000 ] - [ 0.0001118900000000, 0.0001638400000000, 0.0002877000000000 ] - [ -0.0024264000000000, -0.0002498600000000, -0.0001601200000000 ] - [ -0.0018252700000000, 0.0001934800000000, 0.0007572100000000 ] - [ 0.0007605600000000, -0.0011426500000000, 0.0004153100000000 ] - [ 0.0002342100000000, -0.0009199400000000, 0.0002800900000000 ] - [ 0.0007766400000000, 0.0011260500000000, 0.0004687200000000 ] - [ 0.0008274300000000, 0.0006562500000000, 0.0000469500000000 ] - [ 0.0000422400000000, 0.0000185400000000, 0.0002559800000000 ] - [ 0.0021400200000000, -0.0115977500000000, 0.0048028800000000 ] - [ 0.0182089300000000, -0.0020547500000000, 0.0083453600000000 ] - [ -0.0000759100000000, 0.0000076600000000, 0.0001425800000000 ] - [ -0.0001436900000000, -0.0001654700000000, -0.0000555800000000 ] - [ 0.0014276100000000, -0.0005732300000000, 0.0019444100000000 ] - [ 0.0019389200000000, -0.0001420100000000, 0.0034605000000000 ] - [ 0.0001086600000000, -0.0001157600000000, -0.0004746900000000 ] - [ -0.0001318700000000, -0.0000270300000000, -0.0002352600000000 ] - [ 0.0012009900000000, 0.0004464300000000, 0.0013320100000000 ] - [ 0.0014247500000000, 0.0004100900000000, -0.0012044000000000 ] - [ -0.0001458200000000, 0.0000426500000000, 0.0005531400000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009948900000000, 0.0012809400000000, -0.0009108000000000 ] - [ 0.0007418900000000, 0.0009507100000000, 0.0009376200000000 ] - [ -0.0003825300000000, 0.0000601300000000, 0.0000955200000000 ] - [ -0.0000796200000000, 0.0001050800000000, 0.0000830300000000 ] - [ 0.0000755600000000, -0.0000404200000000, -0.0002830200000000 ] - [ -0.0000803000000000, 0.0003023300000000, 0.0004498200000000 ] - [ 0.0006627600000000, -0.0008776000000000, -0.0008615800000000 ] - [ 0.0009268400000000, -0.0010011000000000, 0.0008648800000000 ] - [ -0.0011234800000000, 0.0000736200000000, -0.0005698700000000 ] - [ -0.0006236500000000, -0.0001113800000000, 0.0002431500000000 ] - [ 0.0003690000000000, 0.0000079900000000, -0.0011795900000000 ] - [ 0.0002774900000000, 0.0003123400000000, 0.0008847600000000 ] - [ -0.0003397400000000, 0.0009520100000000, 0.0013604400000000 ] - [ -0.0001865100000000, 0.0007594100000000, -0.0016316400000000 ] - [ -0.0006563100000000, -0.0007930900000000, 0.0011889900000000 ] - [ -0.0005882200000000, -0.0007312900000000, -0.0014875800000000 ] - [ 0.0024306300000000, -0.0002805000000000, 0.0015114500000000 ] - [ 0.0019614100000000, -0.0002068100000000, -0.0012266700000000 ] - [ 0.0020983800000000, 0.0019506000000000, 0.0024329800000000 ] - [ 0.0001875500000000, 0.0002647300000000, 0.0000167000000000 ] - [ 0.0015933600000000, -0.0023273300000000, 0.0026809000000000 ] - [ 0.0001479000000000, -0.0003702200000000, -0.0000046100000000 ] - [ -0.0012811700000000, -0.0003121300000000, -0.0020061400000000 ] - [ -0.0002494700000000, 0.0000079500000000, 0.0002266600000000 ] - [ 0.0001844300000000, -0.0000079400000000, 0.0001373500000000 ] - [ 0.0003703000000000, -0.0006791500000000, -0.0000349800000000 ] - [ -0.0000472200000000, 0.0001546000000000, 0.0000457400000000 ] - [ -0.0015261300000000, -0.0003661500000000, -0.0012997100000000 ] - [ -0.0002050600000000, -0.0003432100000000, -0.0000602700000000 ] - [ -0.0016619000000000, -0.0028323100000000, 0.0023959300000000 ] - [ 0.0009889400000000, 0.0006526300000000, -0.0005345800000000 ] - [ 0.0001440900000000, 0.0000195600000000, 0.0003177400000000 ] - [ -0.0041667900000000, 0.0009355200000000, -0.0012223800000000 ] - [ -0.0000616200000000, -0.0001418400000000, 0.0003676900000000 ] - [ -0.0000589400000000, 0.0010402100000000, -0.0008081300000000 ] - [ -0.0001433500000000, 0.0002256600000000, 0.0003539100000000 ] - [ -0.0000759400000000, -0.0001806900000000, 0.0001926800000000 ] - [ -0.0038385000000000, 0.0003905500000000, 0.0008432400000000 ] - [ 0.0001567500000000, -0.0000206100000000, 0.0002731500000000 ] - [ 0.0008581600000000, 0.0007554800000000, 0.0001813200000000 ] - [ -0.0001325800000000, 0.0002084900000000, 0.0001938700000000 ] - [ -0.0001283700000000, 0.0009577200000000, 0.0002926400000000 ] - [ -0.0000787000000000, -0.0000874200000000, 0.0004685700000000 ] - [ -0.0028603700000000, 0.0016653100000000, 0.0013768900000000 ] - [ -0.0000552700000000, 0.0000987200000000, 0.0004643400000000 ] - [ -0.0030037400000000, -0.0017361400000000, 0.0008840200000000 ] - [ 0.0000694300000000, -0.0000038300000000, 0.0005013400000000 ] - [ 0.0043466900000000, -0.0000663600000000, -0.0012769100000000 ] - [ -0.0042679200000000, -0.0003928400000000, -0.0000383600000000 ] - [ -0.0000811400000000, -0.0000138100000000, 0.0002320300000000 ] - [ 0.0013449400000000, -0.0023860900000000, -0.0010053200000000 ] - [ 0.0000639500000000, -0.0000770800000000, 0.0002238700000000 ] - [ -0.0046912600000000, -0.0020851100000000, 0.0013965000000000 ] - [ 0.0000447300000000, 0.0000923400000000, 0.0002270500000000 ] - [ 0.0002400800000000, 0.0004359800000000, -0.0003546400000000 ] - [ 0.0008105400000000, 0.0033674900000000, 0.0020640500000000 ] - [ 0.0002355000000000, -0.0004673000000000, -0.0003261600000000 ] - [ 0.0019388400000000, -0.0047328900000000, 0.0037093700000000 ] - [ -0.0005835900000000, -0.0000220400000000, -0.0002621100000000 ] - [ -0.0084168100000000, -0.0010851100000000, -0.0064052800000000 ] - [ 0.0000799400000000, -0.0061071700000000, -0.0038211100000000 ] - [ 0.0002214100000000, -0.0005218500000000, -0.0002428000000000 ] - [ 0.0020599200000000, 0.0047960000000000, -0.0028492800000000 ] - [ 0.0003233400000000, 0.0004479500000000, -0.0002682400000000 ] - [ -0.0071128100000000, -0.0010968200000000, 0.0035914600000000 ] - [ -0.0005996900000000, 0.0000204500000000, -0.0003717600000000 ] - [ -0.0020497600000000, -0.0088658800000000, 0.0004254800000000 ] - [ -0.0000148200000000, 0.0000026300000000, -0.0005541700000000 ] - [ -0.0006809600000000, 0.0049174100000000, 0.0061200100000000 ] - [ 0.0000275000000000, -0.0000087800000000, -0.0013136200000000 ] - [ 0.0000959000000000, -0.0000005100000000, -0.0015891400000000 ] - [ -0.0073300800000000, 0.0008632500000000, 0.0108063400000000 ] - [ 0.0637973800000000, -0.0038007500000000, 0.0031969600000000 ] - [ 0.0002157300000000, 0.0000445600000000, -0.0003007500000000 ] - [ -0.0020546700000000, 0.0036795300000000, 0.0010932100000000 ] - [ -0.0001335000000000, 0.0001903300000000, -0.0002727500000000 ] - [ -0.0054478600000000, -0.0017242500000000, 0.0008268000000000 ] - [ -0.0000769800000000, -0.0002233600000000, -0.0002863700000000 ] - [ 0.0024125000000000, 0.0002372500000000, 0.0001451300000000 ] - [ 0.0018155300000000, -0.0002062400000000, -0.0007300600000000 ] - [ -0.0007396500000000, 0.0011335500000000, -0.0004094700000000 ] - [ -0.0002177200000000, 0.0009126600000000, -0.0002837300000000 ] - [ -0.0007840200000000, -0.0011061800000000, -0.0004638600000000 ] - [ -0.0008328500000000, -0.0006366900000000, -0.0000477900000000 ] - [ -0.0000376600000000, -0.0000213300000000, -0.0001921800000000 ] - [ -0.0020955200000000, 0.0116876900000000, -0.0047948600000000 ] - [ -0.0178569300000000, 0.0020088400000000, -0.0082489300000000 ] - [ 0.0000714000000000, -0.0000060600000000, -0.0002052900000000 ] - [ 0.0001487900000000, 0.0001635600000000, 0.0001320700000000 ] - [ -0.0014105600000000, 0.0005431500000000, -0.0018587200000000 ] - [ -0.0019628500000000, 0.0001471100000000, -0.0035107300000000 ] - [ -0.0001167200000000, 0.0001188700000000, 0.0003944800000000 ] - [ 0.0001277200000000, 0.0000235600000000, 0.0001762300000000 ] - [ -0.0011802700000000, -0.0004284600000000, -0.0013770500000000 ] - [ -0.0013975100000000, -0.0003839900000000, 0.0012489300000000 ] - [ 0.0001474900000000, -0.0000483700000000, -0.0004943000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005510000000000, 0.0008230400000000, -0.0024659300000000 ] - [ -0.0004176600000000, -0.0008577200000000, -0.0024797500000000 ] - [ 0.0003362900000000, 0.0003063600000000, -0.0005306800000000 ] - [ -0.0004155300000000, -0.0002311500000000, -0.0004572000000000 ] - [ 0.0000216100000000, 0.0004351500000000, -0.0004575500000000 ] - [ -0.0000688000000000, -0.0004839100000000, -0.0005308400000000 ] - [ -0.0002361300000000, 0.0004203700000000, -0.0010757700000000 ] - [ -0.0010682800000000, 0.0014351400000000, -0.0022121000000000 ] - [ 0.0006643700000000, -0.0006826100000000, -0.0008716000000000 ] - [ -0.0002173500000000, 0.0003579400000000, -0.0007950200000000 ] - [ 0.0003973700000000, -0.0009372200000000, -0.0007830500000000 ] - [ -0.0002964700000000, 0.0003545400000000, -0.0008355500000000 ] - [ -0.0003992000000000, 0.0000405500000000, -0.0006975400000000 ] - [ 0.0009409200000000, -0.0002092100000000, -0.0007758100000000 ] - [ -0.0005033800000000, 0.0000824700000000, -0.0007383900000000 ] - [ 0.0009615700000000, 0.0001344300000000, -0.0006868800000000 ] - [ -0.0017520600000000, 0.0001717700000000, -0.0021072800000000 ] - [ -0.0004655200000000, -0.0000423300000000, -0.0009776200000000 ] - [ -0.0000027900000000, 0.0001812600000000, 0.0013118400000000 ] - [ -0.0000024200000000, -0.0000122300000000, -0.0010147500000000 ] - [ -0.0000347100000000, -0.0004469000000000, 0.0013647800000000 ] - [ -0.0000383900000000, 0.0000170600000000, -0.0010226800000000 ] - [ -0.0018713000000000, 0.0005784500000000, 0.0055139400000000 ] - [ 0.0003840600000000, 0.0000339800000000, -0.0012067600000000 ] - [ 0.0000640100000000, 0.0000141400000000, -0.0011730100000000 ] - [ 0.0004513600000000, 0.0002378500000000, 0.0011964000000000 ] - [ 0.0001240200000000, -0.0002612200000000, -0.0013594800000000 ] - [ -0.0016176800000000, 0.0016219700000000, 0.0050223600000000 ] - [ -0.0000510900000000, -0.0000710100000000, -0.0011652500000000 ] - [ -0.0002106000000000, -0.0001579900000000, 0.0011485900000000 ] - [ 0.0001754300000000, 0.0001321700000000, 0.0012103900000000 ] - [ -0.0004110000000000, 0.0000225500000000, -0.0012133000000000 ] - [ -0.0008164500000000, 0.0001545400000000, 0.0033059900000000 ] - [ 0.0001035100000000, 0.0002973000000000, -0.0015758700000000 ] - [ -0.0001843400000000, 0.0001552000000000, 0.0013573800000000 ] - [ 0.0001916300000000, -0.0003368800000000, -0.0012175200000000 ] - [ -0.0002154000000000, -0.0001889200000000, -0.0014860000000000 ] - [ -0.0006673900000000, 0.0004587400000000, 0.0031691400000000 ] - [ 0.0003545400000000, -0.0000330000000000, -0.0011243900000000 ] - [ -0.0002551100000000, 0.0000466100000000, 0.0014468200000000 ] - [ -0.0001787700000000, 0.0003321600000000, -0.0011195300000000 ] - [ 0.0000181800000000, -0.0002250800000000, 0.0013009800000000 ] - [ -0.0001526200000000, -0.0002355600000000, -0.0011822200000000 ] - [ -0.0002812300000000, 0.0018232400000000, 0.0044955100000000 ] - [ -0.0001379400000000, 0.0002671500000000, -0.0011822200000000 ] - [ 0.0001186500000000, -0.0011800400000000, 0.0050338200000000 ] - [ 0.0003916500000000, -0.0000260200000000, -0.0012068100000000 ] - [ -0.0027184100000000, 0.0001423900000000, 0.0039429100000000 ] - [ 0.0009609000000000, 0.0005319800000000, 0.0048411500000000 ] - [ -0.0003968100000000, -0.0000299000000000, -0.0013719900000000 ] - [ -0.0014112000000000, 0.0021963300000000, 0.0037441200000000 ] - [ 0.0002810000000000, -0.0004018600000000, -0.0013971600000000 ] - [ -0.0016682800000000, -0.0005828900000000, 0.0042903900000000 ] - [ 0.0001614400000000, 0.0003416000000000, -0.0013724200000000 ] - [ 0.0002555500000000, -0.0001552600000000, 0.0012929900000000 ] - [ -0.0016816200000000, 0.0023750900000000, -0.0001582900000000 ] - [ -0.0002018800000000, -0.0001374200000000, 0.0014645100000000 ] - [ -0.0030120700000000, -0.0052076600000000, 0.0011059700000000 ] - [ -0.0000561400000000, 0.0002512100000000, 0.0014474200000000 ] - [ 0.0068219300000000, 0.0000950900000000, 0.0013263000000000 ] - [ 0.0029832000000000, 0.0051364000000000, 0.0010896700000000 ] - [ -0.0000199200000000, 0.0001360800000000, 0.0014718200000000 ] - [ 0.0034656000000000, -0.0059666200000000, 0.0013259300000000 ] - [ -0.0001320800000000, -0.0000571400000000, 0.0014540300000000 ] - [ -0.0029995500000000, 0.0003584400000000, -0.0001587000000000 ] - [ 0.0001852400000000, -0.0000564000000000, 0.0012990800000000 ] - [ 0.0001159300000000, -0.0000517200000000, -0.0086316800000000 ] - [ 0.0000101200000000, -0.0000062700000000, 0.0027774400000000 ] - [ -0.0033399500000000, 0.0047728300000000, -0.0002995200000000 ] - [ -0.0000376300000000, 0.0000684000000000, 0.0025631400000000 ] - [ -0.0000775600000000, -0.0000008400000000, 0.0028860900000000 ] - [ -0.0057921400000000, 0.0005104900000000, 0.0000672400000000 ] - [ -0.0031941900000000, 0.0019841900000000, -0.0446915100000000 ] - [ 0.0003194800000000, -0.0001428900000000, 0.0015390600000000 ] - [ -0.0003039900000000, -0.0011169400000000, -0.0019997700000000 ] - [ -0.0000489300000000, 0.0003230600000000, 0.0013829200000000 ] - [ 0.0008432800000000, 0.0007503900000000, -0.0020000800000000 ] - [ -0.0002697300000000, -0.0001801600000000, 0.0013831200000000 ] - [ -0.0004349000000000, -0.0001299000000000, 0.0059965900000000 ] - [ -0.0001146700000000, 0.0004253700000000, 0.0059264700000000 ] - [ -0.0001605200000000, -0.0002731100000000, 0.0002958800000000 ] - [ 0.0000655400000000, -0.0003500300000000, 0.0003254100000000 ] - [ 0.0003262500000000, 0.0001261400000000, 0.0003219700000000 ] - [ 0.0001523300000000, 0.0002879300000000, 0.0002999000000000 ] - [ -0.0000519800000000, 0.0000851300000000, 0.0015147800000000 ] - [ 0.0045510100000000, -0.0067541400000000, -0.0055647600000000 ] - [ 0.0081327300000000, -0.0005529700000000, -0.0057171100000000 ] - [ -0.0001034900000000, 0.0000044600000000, 0.0014507000000000 ] - [ 0.0000829300000000, -0.0000237600000000, 0.0012264400000000 ] - [ 0.0019070000000000, -0.0026068500000000, 0.0019803900000000 ] - [ 0.0032086000000000, -0.0003531700000000, 0.0018927000000000 ] - [ 0.0000566600000000, -0.0000564400000000, 0.0011535300000000 ] - [ 0.0001522600000000, 0.0001883900000000, 0.0012498500000000 ] - [ 0.0004659700000000, 0.0008278300000000, 0.0032625800000000 ] - [ -0.0004715700000000, -0.0008118700000000, 0.0033157100000000 ] - [ -0.0000863000000000, -0.0002302100000000, 0.0013052000000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007352300000000, -0.0016077400000000, -0.0001292700000000 ] - [ -0.0000298500000000, -0.0000326100000000, 0.0001828300000000 ] - [ 0.0024031800000000, 0.0006733600000000, -0.0001577800000000 ] - [ 0.0000400300000000, -0.0000121000000000, 0.0001864100000000 ] - [ 0.0040556100000000, -0.0032170900000000, -0.0000610700000000 ] - [ -0.0000051900000000, 0.0000362800000000, 0.0001869100000000 ] - [ -0.0010215700000000, 0.0021787300000000, -0.0006481200000000 ] - [ -0.0000599600000000, 0.0000312900000000, 0.0002121400000000 ] - [ 0.0030988100000000, -0.0007357300000000, 0.0000571000000000 ] - [ 0.0000685100000000, 0.0000176900000000, 0.0002058800000000 ] - [ 0.0038178900000000, 0.0016492500000000, 0.0012943300000000 ] - [ -0.0000100400000000, -0.0000707500000000, 0.0002048600000000 ] - [ -0.0038714200000000, -0.0027048500000000, 0.0004377300000000 ] - [ 0.0000563900000000, -0.0000963300000000, 0.0003413800000000 ] - [ 0.0023498200000000, -0.0016248200000000, 0.0015972200000000 ] - [ 0.0000704200000000, 0.0000898100000000, 0.0003428000000000 ] - [ -0.0046647200000000, 0.0000840200000000, -0.0012543100000000 ] - [ -0.0000977900000000, 0.0000132500000000, 0.0003718900000000 ] - [ -0.0023449000000000, -0.0023411400000000, 0.0025973000000000 ] - [ -0.0002301500000000, -0.0003263200000000, 0.0000590000000000 ] - [ -0.0016500000000000, 0.0016438800000000, 0.0019552400000000 ] - [ -0.0001628900000000, 0.0003442900000000, 0.0000654300000000 ] - [ 0.0001226800000000, 0.0003080700000000, -0.0008186700000000 ] - [ 0.0001393900000000, 0.0000036100000000, 0.0002709900000000 ] - [ 0.0000613800000000, 0.0009630700000000, -0.0000337800000000 ] - [ -0.0000388900000000, -0.0000072600000000, 0.0000567000000000 ] - [ 0.0016620300000000, 0.0002496600000000, -0.0008986100000000 ] - [ 0.0000063000000000, -0.0000237600000000, 0.0000997000000000 ] - [ 0.0012315900000000, 0.0024677600000000, 0.0022320100000000 ] - [ 0.0001169000000000, 0.0002432300000000, -0.0000953800000000 ] - [ -0.0007452800000000, -0.0008942200000000, -0.0005052900000000 ] - [ -0.0000692200000000, 0.0000556600000000, 0.0003558000000000 ] - [ 0.0034718200000000, -0.0013573500000000, -0.0008740200000000 ] - [ 0.0000806500000000, -0.0000250500000000, 0.0003190200000000 ] - [ 0.0013269800000000, -0.0023053700000000, -0.0016815600000000 ] - [ -0.0000284600000000, -0.0000649800000000, 0.0003195600000000 ] - [ 0.0029009600000000, -0.0012785100000000, 0.0007179400000000 ] - [ 0.0001766500000000, 0.0002578300000000, 0.0000189700000000 ] - [ -0.0004153600000000, -0.0011194500000000, 0.0001847700000000 ] - [ -0.0003581500000000, 0.0000560000000000, 0.0000038900000000 ] - [ 0.0013122800000000, -0.0019918500000000, 0.0013811400000000 ] - [ 0.0001521700000000, -0.0002721400000000, 0.0000065900000000 ] - [ 0.0003411000000000, 0.0005790500000000, -0.0012301300000000 ] - [ 0.0004872800000000, 0.0007088600000000, 0.0011322700000000 ] - [ 0.0002752600000000, -0.0007155700000000, -0.0012214300000000 ] - [ 0.0003018400000000, -0.0008175400000000, 0.0010616800000000 ] - [ -0.0018665300000000, 0.0001461200000000, -0.0006902400000000 ] - [ -0.0024072900000000, 0.0002081600000000, 0.0013396500000000 ] - [ 0.0007556400000000, -0.0000956100000000, -0.0006094200000000 ] - [ 0.0004586400000000, 0.0000731700000000, 0.0002615900000000 ] - [ -0.0005112600000000, 0.0007641200000000, -0.0005518500000000 ] - [ -0.0006224300000000, 0.0006397300000000, 0.0004047800000000 ] - [ -0.0001499800000000, 0.0002128100000000, -0.0011448300000000 ] - [ -0.0000797100000000, -0.0001064300000000, 0.0008187200000000 ] - [ -0.0009587600000000, -0.0055368300000000, 0.0030901100000000 ] - [ -0.0000953300000000, -0.0003121700000000, -0.0003056200000000 ] - [ -0.0012426800000000, 0.0047328100000000, 0.0025401500000000 ] - [ -0.0002162600000000, 0.0002450900000000, -0.0002933800000000 ] - [ 0.0113744900000000, 0.0002907600000000, -0.0089546100000000 ] - [ 0.0003465900000000, 0.0000988100000000, -0.0002537800000000 ] - [ 0.0003457200000000, 0.0057680600000000, -0.0021669800000000 ] - [ -0.0001761900000000, 0.0001854600000000, -0.0001638600000000 ] - [ -0.0012810500000000, -0.0075841200000000, -0.0048751000000000 ] - [ -0.0000995300000000, -0.0002407000000000, -0.0001916500000000 ] - [ 0.0093440400000000, 0.0011818800000000, 0.0052646400000000 ] - [ 0.0002783700000000, 0.0000897100000000, -0.0003190300000000 ] - [ 0.0001225300000000, 0.0002543300000000, 0.0014188100000000 ] - [ 0.0000770900000000, 0.0001655700000000, -0.0014182200000000 ] - [ -0.0000541800000000, -0.0038465200000000, 0.0043487600000000 ] - [ -0.0000252700000000, -0.0000109600000000, -0.0010504500000000 ] - [ 0.0063959200000000, 0.0002320500000000, 0.0088584200000000 ] - [ -0.0000779100000000, 0.0000129300000000, -0.0012511400000000 ] - [ -0.0024080300000000, -0.0001183900000000, -0.0004223600000000 ] - [ -0.0018084600000000, 0.0001308900000000, -0.0001237400000000 ] - [ 0.0006435100000000, -0.0011798700000000, -0.0002736400000000 ] - [ 0.0003292000000000, -0.0009196600000000, -0.0003205000000000 ] - [ 0.0008495800000000, 0.0010644600000000, -0.0001569200000000 ] - [ 0.0008003600000000, 0.0005697000000000, -0.0003301900000000 ] - [ -0.0531603800000000, 0.0087652700000000, 0.0023667500000000 ] - [ -0.0001233400000000, -0.0000255600000000, -0.0001978700000000 ] - [ 0.0030476700000000, -0.0018899900000000, 0.0005907100000000 ] - [ 0.0000872500000000, -0.0001106500000000, -0.0001607900000000 ] - [ 0.0032618300000000, 0.0017633700000000, 0.0003841300000000 ] - [ 0.0000501500000000, 0.0001319700000000, -0.0001688300000000 ] - [ 0.0010278500000000, -0.0001208600000000, -0.0011788900000000 ] - [ -0.0000741300000000, -0.0002214300000000, 0.0000838600000000 ] - [ 0.0022129600000000, -0.0002111700000000, -0.0029713400000000 ] - [ 0.0002485300000000, -0.0000641300000000, 0.0001956200000000 ] - [ -0.0004881300000000, -0.0079480800000000, -0.0035329200000000 ] - [ 0.0000076100000000, 0.0000490900000000, -0.0001356300000000 ] - [ 0.0139407600000000, 0.0004674400000000, -0.0065660400000000 ] - [ -0.0000639800000000, 0.0000030300000000, -0.0002085000000000 ] - [ -0.0007305700000000, 0.0065361200000000, -0.0028982600000000 ] - [ 0.0000002200000000, -0.0000020800000000, -0.0002031000000000 ] - [ -0.0008648300000000, 0.0067518600000000, 0.0035243500000000 ] - [ -0.0000091300000000, -0.0000016900000000, -0.0002514100000000 ]- atom: 79 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007514500000000, 0.0016357100000000, 0.0001262300000000 ] - [ 0.0000552900000000, 0.0000771800000000, -0.0001817900000000 ] - [ -0.0024687500000000, -0.0007115500000000, 0.0001578400000000 ] - [ -0.0000902400000000, 0.0000132300000000, -0.0001849600000000 ] - [ -0.0043526500000000, 0.0029992300000000, 0.0000460300000000 ] - [ 0.0000316800000000, -0.0000803300000000, -0.0001865100000000 ] - [ 0.0009785000000000, -0.0021714800000000, 0.0005440800000000 ] - [ 0.0000212800000000, -0.0000385100000000, -0.0003058000000000 ] - [ -0.0030850600000000, 0.0008327300000000, -0.0001529000000000 ] - [ -0.0000573200000000, 0.0000202400000000, -0.0002991200000000 ] - [ -0.0042417900000000, -0.0014446800000000, -0.0014543600000000 ] - [ 0.0000343300000000, 0.0000399100000000, -0.0002994400000000 ] - [ 0.0040437200000000, 0.0027918600000000, -0.0003265600000000 ] - [ -0.0000291200000000, 0.0001243000000000, -0.0002449300000000 ] - [ -0.0019665200000000, 0.0013935400000000, -0.0014440000000000 ] - [ -0.0001084200000000, -0.0000829100000000, -0.0002453600000000 ] - [ 0.0046785200000000, -0.0001152000000000, 0.0013487700000000 ] - [ 0.0001102700000000, -0.0000498400000000, -0.0002750900000000 ] - [ 0.0023005800000000, 0.0022351600000000, -0.0024275900000000 ] - [ 0.0001910800000000, 0.0002339600000000, 0.0000902000000000 ] - [ 0.0015898500000000, -0.0015513000000000, -0.0017931500000000 ] - [ 0.0001049600000000, -0.0002649700000000, 0.0000834200000000 ] - [ 0.0001323800000000, -0.0002938400000000, 0.0008175300000000 ] - [ -0.0000340100000000, 0.0000068500000000, -0.0001237900000000 ] - [ 0.0000222100000000, -0.0009821800000000, -0.0001096100000000 ] - [ 0.0001338300000000, -0.0000040300000000, -0.0002043300000000 ] - [ -0.0017454000000000, -0.0000909800000000, 0.0008126200000000 ] - [ -0.0000474300000000, 0.0001168700000000, -0.0002481900000000 ] - [ -0.0012953100000000, -0.0025565400000000, -0.0023984000000000 ] - [ -0.0001741500000000, -0.0003182100000000, -0.0000523700000000 ] - [ 0.0006955900000000, 0.0009335100000000, 0.0004036400000000 ] - [ 0.0000324400000000, -0.0000206800000000, -0.0004451000000000 ] - [ -0.0034523500000000, 0.0013159100000000, 0.0007041900000000 ] - [ -0.0000356400000000, 0.0000361000000000, -0.0004069400000000 ] - [ -0.0013463300000000, 0.0022617600000000, 0.0015964900000000 ] - [ 0.0000149100000000, 0.0000169300000000, -0.0004078700000000 ] - [ -0.0029538600000000, 0.0012763200000000, -0.0005551700000000 ] - [ -0.0001884700000000, -0.0002115200000000, 0.0000712900000000 ] - [ 0.0003676600000000, 0.0010890300000000, -0.0000870400000000 ] - [ 0.0003213500000000, -0.0000906700000000, 0.0000863900000000 ] - [ -0.0012717000000000, 0.0019875700000000, -0.0012984700000000 ] - [ -0.0001027900000000, 0.0002552700000000, 0.0000850000000000 ] - [ -0.0002725000000000, -0.0004998500000000, 0.0014113700000000 ] - [ -0.0004174600000000, -0.0006267900000000, -0.0009358900000000 ] - [ -0.0002357000000000, 0.0006192700000000, 0.0014020000000000 ] - [ -0.0002621800000000, 0.0007207300000000, -0.0008656900000000 ] - [ 0.0017708000000000, -0.0001284700000000, 0.0008590300000000 ] - [ 0.0023178000000000, -0.0001925700000000, -0.0011461800000000 ] - [ -0.0008543000000000, 0.0000821300000000, 0.0004193800000000 ] - [ -0.0005529200000000, -0.0000855600000000, -0.0004482800000000 ] - [ 0.0005731600000000, -0.0008372900000000, 0.0003635100000000 ] - [ 0.0006712500000000, -0.0006996900000000, -0.0005796800000000 ] - [ 0.0001798300000000, -0.0001231100000000, 0.0009571500000000 ] - [ 0.0001099000000000, 0.0001972400000000, -0.0010120900000000 ] - [ 0.0010434800000000, 0.0055051600000000, -0.0030910000000000 ] - [ 0.0002079600000000, 0.0002876500000000, 0.0002970000000000 ] - [ 0.0011404000000000, -0.0048167000000000, -0.0025507300000000 ] - [ 0.0001392200000000, -0.0003301400000000, 0.0002856600000000 ] - [ -0.0114650600000000, -0.0001829700000000, 0.0090686800000000 ] - [ -0.0003802900000000, 0.0000093400000000, 0.0002461700000000 ] - [ -0.0004069100000000, -0.0058537900000000, 0.0021752700000000 ] - [ 0.0001376300000000, -0.0002930600000000, 0.0001686600000000 ] - [ 0.0013366900000000, 0.0075963400000000, 0.0048770700000000 ] - [ 0.0002106600000000, 0.0002615300000000, 0.0001950800000000 ] - [ -0.0094696400000000, -0.0011144300000000, -0.0053203300000000 ] - [ -0.0003523300000000, -0.0000037800000000, 0.0003262400000000 ] - [ -0.0001229700000000, -0.0002520800000000, -0.0014111900000000 ] - [ -0.0000752200000000, -0.0001629900000000, 0.0014091300000000 ] - [ 0.0000785400000000, 0.0038470600000000, -0.0046676600000000 ] - [ 0.0000258500000000, 0.0000119100000000, 0.0007167600000000 ] - [ -0.0063529700000000, -0.0002289300000000, -0.0084456300000000 ] - [ 0.0000770000000000, -0.0000126400000000, 0.0015705900000000 ] - [ 0.0024308300000000, 0.0001735600000000, 0.0004386200000000 ] - [ 0.0018322700000000, -0.0000739000000000, 0.0000962600000000 ] - [ -0.0007090400000000, 0.0011725100000000, 0.0002691700000000 ] - [ -0.0003995100000000, 0.0009111100000000, 0.0003216900000000 ] - [ -0.0008107400000000, -0.0011192600000000, 0.0001514200000000 ] - [ -0.0007604000000000, -0.0006226300000000, 0.0003321100000000 ] - [ 0.0531666600000000, -0.0086540800000000, -0.0022860500000000 ] - [ 0.0001163900000000, 0.0000138200000000, 0.0001970700000000 ] - [ -0.0030250500000000, 0.0018627300000000, -0.0005886000000000 ] - [ -0.0000745300000000, 0.0001092700000000, 0.0001603900000000 ] - [ -0.0032622200000000, -0.0017287500000000, -0.0003808000000000 ] - [ -0.0000563800000000, -0.0001199700000000, 0.0001680800000000 ] - [ -0.0009993300000000, 0.0000952700000000, 0.0012252900000000 ] - [ 0.0000781700000000, 0.0002203100000000, -0.0000244100000000 ] - [ -0.0022358100000000, 0.0002192500000000, 0.0028935300000000 ] - [ -0.0002577400000000, 0.0000664900000000, -0.0002548300000000 ] - [ 0.0005391800000000, 0.0079673100000000, 0.0036368700000000 ] - [ -0.0000029800000000, -0.0000504600000000, 0.0002080300000000 ] - [ -0.0137067000000000, -0.0004584800000000, 0.0063832900000000 ] - [ 0.0000602000000000, -0.0000010900000000, 0.0001349300000000 ] - [ 0.0007833300000000, -0.0065358900000000, 0.0028628800000000 ] - [ -0.0000016500000000, 0.0000037800000000, 0.0001509000000000 ] - [ 0.0009189200000000, -0.0067595600000000, -0.0034862700000000 ] - [ 0.0000118300000000, 0.0000013800000000, 0.0003011900000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001574300000000, 0.0001339100000000, 0.0052625200000000 ] - [ 0.0000482600000000, 0.0000033200000000, -0.0009214300000000 ] - [ 0.0000956100000000, 0.0000013000000000, 0.0028084700000000 ] - [ 0.0000077600000000, 0.0000400900000000, -0.0007918000000000 ] - [ 0.0000787000000000, -0.0001442100000000, 0.0028019700000000 ] - [ -0.0000046000000000, -0.0000698700000000, -0.0007922300000000 ] - [ 0.0011960300000000, -0.0019727700000000, 0.0036215200000000 ] - [ -0.0001663300000000, 0.0002516100000000, -0.0010310900000000 ] - [ -0.0006297200000000, 0.0008929400000000, 0.0038681100000000 ] - [ 0.0002028600000000, 0.0000059100000000, -0.0009609700000000 ] - [ 0.0008352200000000, 0.0006092200000000, 0.0039674500000000 ] - [ -0.0000851500000000, -0.0001737200000000, -0.0010006000000000 ] - [ -0.0010182800000000, 0.0001518300000000, 0.0039653200000000 ] - [ 0.0001233800000000, -0.0001496200000000, -0.0008663500000000 ] - [ -0.0001520700000000, -0.0010155200000000, 0.0040527700000000 ] - [ 0.0000690300000000, 0.0001665500000000, -0.0009051500000000 ] - [ 0.0023082000000000, -0.0000839300000000, 0.0037097000000000 ] - [ -0.0002883800000000, -0.0000185800000000, -0.0009366800000000 ] - [ -0.0002314400000000, -0.0002302700000000, 0.0012530300000000 ] - [ -0.0000704200000000, -0.0002062400000000, -0.0007900400000000 ] - [ 0.0000333800000000, 0.0004262400000000, 0.0010923600000000 ] - [ -0.0000661200000000, 0.0000737200000000, -0.0007038500000000 ] - [ 0.0039802800000000, -0.0005317600000000, 0.0027974400000000 ] - [ -0.0001882800000000, 0.0000075300000000, -0.0009643400000000 ] - [ -0.0002635700000000, -0.0002574600000000, 0.0009545600000000 ] - [ 0.0000006800000000, 0.0000097600000000, -0.0008532300000000 ] - [ 0.0023307500000000, -0.0029362200000000, 0.0029044800000000 ] - [ -0.0001392100000000, 0.0002488200000000, -0.0011105000000000 ] - [ 0.0000309400000000, 0.0002459400000000, 0.0011180800000000 ] - [ 0.0000834700000000, 0.0000853400000000, -0.0009388100000000 ] - [ 0.0003276300000000, -0.0002088800000000, 0.0008105500000000 ] - [ -0.0001229000000000, -0.0000722900000000, -0.0010205800000000 ] - [ -0.0019409600000000, -0.0048679400000000, 0.0011116700000000 ] - [ 0.0003388800000000, 0.0005311600000000, -0.0012190900000000 ] - [ -0.0003160200000000, 0.0001236400000000, 0.0007793600000000 ] - [ 0.0000845200000000, -0.0001518600000000, -0.0010234600000000 ] - [ 0.0031706800000000, 0.0040583600000000, 0.0014427800000000 ] - [ -0.0003009700000000, -0.0005096700000000, -0.0011246700000000 ] - [ -0.0003045300000000, 0.0001768700000000, 0.0008784700000000 ] - [ 0.0001405100000000, -0.0000327000000000, -0.0009334800000000 ] - [ 0.0003932800000000, -0.0001953900000000, 0.0009111800000000 ] - [ 0.0000484200000000, 0.0001292800000000, -0.0009293400000000 ] - [ -0.0010261200000000, -0.0001208900000000, -0.0007484200000000 ] - [ 0.0005831500000000, -0.0001082700000000, -0.0006064200000000 ] - [ -0.0006932100000000, -0.0000308600000000, -0.0004675400000000 ] - [ 0.0003892000000000, 0.0001501000000000, -0.0004378200000000 ] - [ 0.0003983300000000, 0.0000214500000000, -0.0007622300000000 ] - [ 0.0017375300000000, -0.0001722800000000, -0.0018825000000000 ] - [ -0.0004165500000000, 0.0005922500000000, -0.0006575900000000 ] - [ -0.0000264700000000, -0.0004322400000000, -0.0006243600000000 ] - [ 0.0002426800000000, -0.0004299400000000, -0.0009498300000000 ] - [ 0.0010731800000000, -0.0014843900000000, -0.0020627900000000 ] - [ -0.0003663500000000, 0.0010337100000000, -0.0009346700000000 ] - [ 0.0004233100000000, -0.0003670700000000, -0.0007957900000000 ] - [ 0.0022055000000000, -0.0040009000000000, -0.0001137400000000 ] - [ 0.0001240900000000, -0.0000021700000000, 0.0010400700000000 ] - [ 0.0022907200000000, 0.0038274000000000, -0.0001684500000000 ] - [ -0.0001630000000000, -0.0001388900000000, 0.0010297100000000 ] - [ -0.0097234500000000, 0.0001056500000000, 0.0011062100000000 ] - [ -0.0000143900000000, 0.0001270500000000, 0.0012503800000000 ] - [ -0.0022000400000000, -0.0039927500000000, -0.0001410800000000 ] - [ 0.0000012800000000, 0.0001023000000000, 0.0010354900000000 ] - [ -0.0048103100000000, 0.0083484400000000, 0.0011426600000000 ] - [ -0.0000040400000000, -0.0000301800000000, 0.0012564100000000 ] - [ 0.0044615600000000, 0.0001788200000000, -0.0000892500000000 ] - [ -0.0000131400000000, -0.0000193100000000, 0.0010464900000000 ] - [ 0.0004221000000000, 0.0008526800000000, 0.0020453500000000 ] - [ -0.0005344800000000, -0.0008043000000000, 0.0020509800000000 ] - [ 0.0022938300000000, -0.0042393200000000, -0.0001058500000000 ] - [ 0.0000492000000000, -0.0000515800000000, 0.0020214200000000 ] - [ 0.0048287900000000, 0.0001370500000000, 0.0001907600000000 ] - [ 0.0000701200000000, -0.0000162200000000, 0.0023513900000000 ] - [ -0.0001309800000000, -0.0009129800000000, 0.0059256300000000 ] - [ 0.0007623500000000, 0.0006414700000000, 0.0059972400000000 ] - [ -0.0002188600000000, 0.0004335300000000, 0.0003252700000000 ] - [ 0.0003297500000000, 0.0002633000000000, 0.0002955100000000 ] - [ -0.0000316000000000, -0.0004802300000000, 0.0002998200000000 ] - [ -0.0004476700000000, -0.0000850400000000, 0.0003217100000000 ] - [ 0.0023308700000000, -0.0013387400000000, -0.0390388400000000 ] - [ -0.0002004500000000, 0.0001085100000000, 0.0009657900000000 ] - [ 0.0002109400000000, 0.0005589800000000, -0.0013938400000000 ] - [ 0.0000138300000000, -0.0001902000000000, 0.0008443500000000 ] - [ -0.0003865200000000, -0.0004579100000000, -0.0013939100000000 ] - [ 0.0001653200000000, 0.0000936500000000, 0.0008443200000000 ] - [ -0.0016703900000000, 0.0024538100000000, 0.0019158000000000 ] - [ -0.0001630000000000, -0.0000082800000000, 0.0009801200000000 ] - [ -0.0029697100000000, 0.0002266100000000, 0.0018661400000000 ] - [ -0.0000785800000000, 0.0001484800000000, 0.0009172300000000 ] - [ -0.0031094200000000, 0.0047576700000000, -0.0053965300000000 ] - [ 0.0000501700000000, -0.0000799300000000, 0.0011677300000000 ] - [ -0.0056781100000000, 0.0003127700000000, -0.0054036000000000 ] - [ 0.0000917200000000, -0.0000008300000000, 0.0010956700000000 ] - [ -0.0031336600000000, -0.0055279400000000, -0.0048679600000000 ] - [ 0.0000229700000000, 0.0000927900000000, 0.0010690200000000 ] - [ 0.0032232700000000, 0.0054784900000000, -0.0047703000000000 ] - [ -0.0000673800000000, -0.0000677800000000, 0.0011205600000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004613600000000, 0.0000337400000000, 0.0008106200000000 ] - [ -0.0001992600000000, -0.0003277200000000, -0.0002047400000000 ] - [ -0.0004006600000000, 0.0004785700000000, -0.0002655600000000 ] - [ -0.0005279900000000, -0.0000256400000000, 0.0001121300000000 ] - [ -0.0000105100000000, 0.0001464600000000, -0.0005363400000000 ] - [ -0.0000626100000000, 0.0000420500000000, 0.0000972300000000 ] - [ 0.0023573700000000, -0.0014366600000000, 0.0022403700000000 ] - [ -0.0000414600000000, -0.0006228700000000, -0.0000226000000000 ] - [ 0.0044011700000000, 0.0004149900000000, -0.0036672800000000 ] - [ 0.0007979200000000, 0.0001039700000000, -0.0000648100000000 ] - [ 0.0018106400000000, 0.0012106200000000, 0.0012514000000000 ] - [ -0.0002058200000000, 0.0004376600000000, -0.0000667800000000 ] - [ -0.0008016100000000, 0.0002672500000000, 0.0008197800000000 ] - [ -0.0000210300000000, 0.0003296600000000, -0.0004132200000000 ] - [ 0.0001919900000000, 0.0001154600000000, -0.0003156500000000 ] - [ 0.0000932400000000, 0.0000127600000000, 0.0003336900000000 ] - [ -0.0004056300000000, -0.0007235500000000, -0.0003554900000000 ] - [ -0.0002249200000000, 0.0000188000000000, 0.0002292000000000 ] - [ -0.0001060300000000, -0.0004226900000000, -0.0002228200000000 ] - [ -0.0005797100000000, -0.0000249600000000, 0.0007519200000000 ] - [ -0.0000428300000000, 0.0000756500000000, 0.0002585500000000 ] - [ 0.0000505400000000, 0.0001935600000000, -0.0001527100000000 ] - [ -0.0003535400000000, -0.0001009600000000, 0.0001855900000000 ] - [ -0.0003060800000000, 0.0006489000000000, -0.0003806000000000 ] - [ 0.0566692300000000, 0.0030197700000000, 0.0265493900000000 ] - [ 0.0001151700000000, -0.0000006100000000, -0.0001701100000000 ] - [ 0.0409490800000000, -0.0137803800000000, -0.0158977800000000 ] - [ 0.0000023000000000, 0.0000177900000000, -0.0000133100000000 ] - [ 0.0349995100000000, 0.0099358200000000, -0.0129248200000000 ] - [ -0.0000145300000000, -0.0000137300000000, -0.0000408100000000 ] - [ -0.0001972100000000, 0.0001856400000000, 0.0001505400000000 ] - [ -0.0007364800000000, -0.0008441000000000, -0.0005045900000000 ] - [ 0.0001684700000000, 0.0000503200000000, 0.0002397100000000 ] - [ 0.0001734000000000, -0.0003197400000000, -0.0000150700000000 ] - [ 0.0000803400000000, 0.0003757200000000, -0.0005328700000000 ] - [ -0.0007548800000000, 0.0001361500000000, 0.0003821600000000 ] - [ 0.0005637500000000, 0.0011118200000000, 0.0001670200000000 ] - [ -0.0000501800000000, -0.0000400200000000, 0.0000033800000000 ] - [ -0.0005625800000000, -0.0013719100000000, 0.0003329300000000 ] - [ -0.0000944300000000, -0.0000300100000000, 0.0000790200000000 ] - [ -0.0020766300000000, 0.0008234600000000, -0.0003574000000000 ] - [ 0.0000068300000000, -0.0000155800000000, 0.0000582800000000 ] - [ 0.0001968700000000, 0.0013304500000000, -0.0000453100000000 ] - [ -0.0000443400000000, -0.0000519600000000, 0.0000797800000000 ] - [ -0.0018116300000000, 0.0000939500000000, -0.0002075200000000 ] - [ 0.0000183700000000, -0.0001319700000000, 0.0000603100000000 ] - [ 0.0001276700000000, -0.0009958400000000, 0.0005214100000000 ] - [ -0.0000849900000000, -0.0000138700000000, 0.0001436900000000 ] - [ -0.0001313200000000, -0.0000214900000000, -0.0001274200000000 ] - [ 0.0976108600000000, 0.0072798200000000, 0.0372201100000000 ] - [ 0.0000365700000000, 0.0000242100000000, -0.0000709500000000 ] - [ 0.0543960000000000, -0.0300979600000000, -0.0186088400000000 ] - [ 0.0000443300000000, -0.0000050600000000, -0.0000814900000000 ] - [ 0.0423723900000000, 0.0231728200000000, -0.0163903800000000 ] - [ 0.0002776300000000, -0.0077854200000000, 0.0045802000000000 ] - [ 0.0000693200000000, 0.0000207000000000, -0.0000658100000000 ] - [ 0.0114668400000000, 0.0017547000000000, -0.0080707100000000 ] - [ -0.0000726000000000, -0.0000084000000000, 0.0001099900000000 ] - [ -0.0024965400000000, 0.0067553800000000, 0.0034052000000000 ] - [ -0.0000322300000000, 0.0000445800000000, -0.0000557500000000 ] - [ -0.0001295300000000, -0.0000041300000000, 0.0002441600000000 ] - [ 0.0013359600000000, -0.0005003400000000, 0.0012879400000000 ] - [ -0.0000755500000000, 0.0000111400000000, -0.0002445100000000 ] - [ 0.0008132200000000, -0.0001020500000000, -0.0006725900000000 ] - [ -0.0002119100000000, 0.0000778900000000, 0.0000073000000000 ] - [ 0.0013001100000000, 0.0002547100000000, -0.0006044200000000 ] - [ -0.0000150200000000, -0.0000693400000000, -0.0000009700000000 ] - [ 0.0003261400000000, 0.0005365600000000, 0.0000080200000000 ] - [ 0.0006261200000000, -0.0000269200000000, -0.0001792100000000 ] - [ -0.0078115500000000, 0.0001423600000000, -0.0000963800000000 ] - [ 0.0005687200000000, 0.0003698800000000, 0.0001599000000000 ] - [ -0.0000198800000000, -0.0000233200000000, 0.0001632200000000 ] - [ 0.0000583400000000, 0.0001026100000000, -0.0000544900000000 ] - [ 0.0021665700000000, -0.0112336300000000, 0.0045771500000000 ] - [ -0.0000296700000000, -0.0000386600000000, -0.0000480800000000 ] - [ -0.0017812200000000, 0.0094262300000000, 0.0035967100000000 ] - [ -0.0000578000000000, 0.0000149700000000, 0.0001018400000000 ] - [ 0.0179023900000000, 0.0024212300000000, -0.0080756500000000 ] - [ 0.0010201600000000, -0.0009224400000000, -0.0016807200000000 ] - [ -0.0000772400000000, -0.0002623900000000, -0.0001662000000000 ] - [ 0.0013498900000000, 0.0003039700000000, -0.0012993500000000 ] - [ -0.0001512300000000, 0.0001736400000000, 0.0000869700000000 ] - [ 0.0022244100000000, -0.0005905200000000, 0.0029801800000000 ] - [ 0.0002459200000000, 0.0000364900000000, 0.0000743400000000 ] - [ -0.3435186600000000, -0.0002990200000000, -0.0007740500000000 ] - [ 0.0000481200000000, -0.0000016700000000, 0.0000318400000000 ] - [ 0.0001400900000000, 0.0001352700000000, -0.0000309800000000 ] - [ -0.0001232700000000, -0.0001864100000000, -0.0000320100000000 ] - [ -0.0146784700000000, -0.0004540800000000, 0.0003582000000000 ] - [ 0.0000260300000000, -0.0000076600000000, 0.0000356500000000 ] - [ 0.0004207800000000, -0.0001511200000000, -0.0000366100000000 ] - [ 0.0004406700000000, -0.0000982000000000, -0.0000348100000000 ] - [ 0.0001652300000000, -0.0003843300000000, -0.0000252700000000 ] - [ 0.0001710000000000, 0.0000298300000000, -0.0000274900000000 ] - [ 0.0003146400000000, -0.0000121700000000, 0.0000219900000000 ] - [ 0.0008802800000000, -0.0001184700000000, 0.0000243100000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004795200000000, 0.0000050400000000, -0.0008033600000000 ] - [ 0.0002283200000000, 0.0003802400000000, 0.0002090800000000 ] - [ 0.0003531000000000, -0.0004769200000000, 0.0002708100000000 ] - [ 0.0004822300000000, 0.0000262900000000, -0.0001085400000000 ] - [ 0.0000351000000000, -0.0001851400000000, 0.0005414000000000 ] - [ 0.0000892300000000, -0.0000844900000000, -0.0000959500000000 ] - [ -0.0023854900000000, 0.0014208300000000, -0.0023464900000000 ] - [ 0.0000114100000000, 0.0006124700000000, -0.0000814100000000 ] - [ -0.0043338900000000, -0.0003714700000000, 0.0035222600000000 ] - [ -0.0008074800000000, -0.0000670700000000, -0.0000355700000000 ] - [ -0.0017730800000000, -0.0012122200000000, -0.0013516000000000 ] - [ 0.0002359000000000, -0.0004659100000000, -0.0000377100000000 ] - [ 0.0008216400000000, -0.0002339500000000, -0.0007181900000000 ] - [ 0.0000508500000000, -0.0003094900000000, 0.0005175000000000 ] - [ -0.0002334800000000, -0.0001196500000000, 0.0004160400000000 ] - [ -0.0001295000000000, -0.0000041800000000, -0.0002357500000000 ] - [ 0.0004234200000000, 0.0006825800000000, 0.0004507100000000 ] - [ 0.0002382200000000, -0.0000539600000000, -0.0001323000000000 ] - [ 0.0000660200000000, 0.0003257400000000, 0.0003695400000000 ] - [ 0.0005504600000000, -0.0000709300000000, -0.0006085400000000 ] - [ -0.0000174100000000, 0.0000058700000000, -0.0001103600000000 ] - [ -0.0001065300000000, -0.0001220000000000, 0.0003012900000000 ] - [ 0.0004543300000000, 0.0001112400000000, -0.0000376800000000 ] - [ 0.0004142600000000, -0.0006466600000000, 0.0005263500000000 ] - [ -0.0591079700000000, -0.0032915000000000, -0.0294069300000000 ] - [ -0.0000180100000000, -0.0000108300000000, 0.0000217700000000 ] - [ -0.0405682800000000, 0.0130368100000000, 0.0148305500000000 ] - [ -0.0000442300000000, 0.0000761900000000, -0.0001370200000000 ] - [ -0.0349535300000000, -0.0094597600000000, 0.0122655500000000 ] - [ -0.0000450100000000, -0.0000650900000000, -0.0001095500000000 ] - [ 0.0001678300000000, -0.0001515000000000, -0.0002452300000000 ] - [ 0.0007117600000000, 0.0008979000000000, 0.0004217400000000 ] - [ -0.0001275800000000, -0.0000430900000000, -0.0003335100000000 ] - [ -0.0001278200000000, 0.0003464200000000, -0.0000841600000000 ] - [ -0.0000960800000000, -0.0004121000000000, 0.0004363500000000 ] - [ 0.0007506800000000, -0.0001747000000000, -0.0004744200000000 ] - [ -0.0005759800000000, -0.0010659900000000, -0.0000767400000000 ] - [ 0.0000384000000000, 0.0000868000000000, 0.0000903500000000 ] - [ 0.0005154500000000, 0.0013318800000000, -0.0002391600000000 ] - [ 0.0000607800000000, -0.0000053300000000, 0.0000141700000000 ] - [ 0.0021201400000000, -0.0008342400000000, 0.0004582700000000 ] - [ 0.0000402000000000, 0.0000019000000000, 0.0000357700000000 ] - [ -0.0001375100000000, -0.0012642500000000, 0.0002325100000000 ] - [ 0.0001055100000000, 0.0001254600000000, 0.0001099500000000 ] - [ 0.0018499100000000, -0.0002009100000000, 0.0003757200000000 ] - [ 0.0000160400000000, 0.0000413100000000, 0.0001284300000000 ] - [ -0.0002004100000000, 0.0010203000000000, -0.0003392500000000 ] - [ -0.0000072100000000, 0.0000297200000000, 0.0000456200000000 ] - [ 0.0000312600000000, 0.0000056300000000, -0.0000600700000000 ] - [ -0.0931869800000000, -0.0067548100000000, -0.0338527800000000 ] - [ 0.0000261900000000, -0.0000992800000000, -0.0001155000000000 ] - [ -0.0547377100000000, 0.0313846400000000, 0.0194063900000000 ] - [ -0.0000102100000000, 0.0000964100000000, -0.0001050800000000 ] - [ -0.0421793500000000, -0.0237755500000000, 0.0166104700000000 ] - [ -0.0001814200000000, 0.0078034000000000, -0.0046321100000000 ] - [ 0.0000428600000000, -0.0000426500000000, 0.0000586100000000 ] - [ -0.0114233800000000, -0.0018390800000000, 0.0079980600000000 ] - [ -0.0000012500000000, -0.0000787000000000, -0.0001186800000000 ] - [ 0.0024413700000000, -0.0066725600000000, -0.0034514100000000 ] - [ -0.0000040000000000, 0.0000623400000000, 0.0000491300000000 ] - [ 0.0000965100000000, -0.0001065500000000, -0.0002362700000000 ] - [ -0.0014047200000000, 0.0004011200000000, -0.0013366800000000 ] - [ 0.0001841300000000, 0.0000196000000000, 0.0002473200000000 ] - [ -0.0007252800000000, 0.0001459700000000, 0.0006991500000000 ] - [ 0.0001273300000000, 0.0000022100000000, -0.0000040600000000 ] - [ -0.0014058700000000, -0.0002124800000000, 0.0006484600000000 ] - [ 0.0000148200000000, 0.0000686500000000, -0.0000008800000000 ] - [ -0.0003372700000000, -0.0005506000000000, 0.0000079400000000 ] - [ -0.0006193700000000, 0.0000278800000000, -0.0001785600000000 ] - [ 0.0078419000000000, -0.0001358600000000, -0.0000949900000000 ] - [ -0.0005652000000000, -0.0003666500000000, 0.0001598100000000 ] - [ 0.0000187500000000, 0.0000239900000000, 0.0001633000000000 ] - [ -0.0000206000000000, -0.0000418600000000, 0.0000540400000000 ] - [ -0.0020700000000000, 0.0112064500000000, -0.0045203500000000 ] - [ -0.0000406600000000, 0.0000397900000000, 0.0000470300000000 ] - [ 0.0017524600000000, -0.0093742300000000, -0.0035644300000000 ] - [ 0.0000901200000000, -0.0000767000000000, -0.0001015500000000 ] - [ -0.0181657200000000, -0.0024878500000000, 0.0081838400000000 ] - [ -0.0010061300000000, 0.0009061600000000, 0.0016709700000000 ] - [ 0.0000764400000000, 0.0002492300000000, 0.0001654600000000 ] - [ -0.0013277000000000, -0.0002881500000000, 0.0012794300000000 ] - [ 0.0001686300000000, -0.0001724700000000, -0.0000911800000000 ] - [ -0.0022229400000000, 0.0005914200000000, -0.0029500600000000 ] - [ -0.0002602700000000, -0.0000249700000000, -0.0000789700000000 ] - [ 0.3414416900000000, -0.0002992300000000, -0.0006818000000000 ] - [ -0.0000446800000000, -0.0000016100000000, 0.0000317300000000 ] - [ -0.0001439300000000, -0.0001332300000000, -0.0000308800000000 ] - [ 0.0001185300000000, 0.0001960200000000, -0.0000321100000000 ] - [ 0.0145217600000000, 0.0003935700000000, 0.0003570800000000 ] - [ -0.0000197000000000, 0.0000056800000000, 0.0000362300000000 ] - [ -0.0004209900000000, 0.0001541300000000, -0.0000368800000000 ] - [ -0.0004472700000000, 0.0001031800000000, -0.0000350200000000 ] - [ -0.0001663600000000, 0.0003884500000000, -0.0000256500000000 ] - [ -0.0001737200000000, -0.0000296100000000, -0.0000278000000000 ] - [ -0.0003092900000000, 0.0000109500000000, 0.0000223000000000 ] - [ -0.0008870100000000, 0.0001161400000000, 0.0000246800000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003339700000000, 0.0005835600000000, 0.0002402500000000 ] - [ -0.0000378600000000, -0.0001768500000000, -0.0008930800000000 ] - [ -0.0006723600000000, -0.0000025500000000, 0.0002402500000000 ] - [ 0.0001720900000000, 0.0000556400000000, -0.0008930800000000 ] - [ 0.0003383900000000, -0.0005810100000000, 0.0002402500000000 ] - [ -0.0001342300000000, 0.0001212200000000, -0.0008930800000000 ] - [ -0.0010300000000000, 0.0013055300000000, -0.0046956500000000 ] - [ 0.0005752000000000, -0.0006739800000000, -0.0029639300000000 ] - [ 0.0016456200000000, 0.0002392400000000, -0.0046956500000000 ] - [ -0.0008712800000000, -0.0001611500000000, -0.0029639300000000 ] - [ -0.0006156200000000, -0.0015447700000000, -0.0046956500000000 ] - [ 0.0002960800000000, 0.0008351300000000, -0.0029639300000000 ] - [ 0.0004860000000000, -0.0007010600000000, 0.0004913900000000 ] - [ -0.0000201300000000, 0.0001154500000000, -0.0010271500000000 ] - [ 0.0003641400000000, 0.0007714200000000, 0.0004913900000000 ] - [ -0.0000899200000000, -0.0000751500000000, -0.0010271500000000 ] - [ -0.0008501400000000, -0.0000703600000000, 0.0004913900000000 ] - [ 0.0001100400000000, -0.0000402900000000, -0.0010271500000000 ] - [ -0.0002567300000000, -0.0005158400000000, -0.0009404400000000 ] - [ 0.0001173400000000, 0.0000705700000000, -0.0005881600000000 ] - [ -0.0003183700000000, 0.0004802500000000, -0.0009404400000000 ] - [ 0.0000024400000000, -0.0001369000000000, -0.0005881600000000 ] - [ 0.0005750900000000, 0.0000355900000000, -0.0009404400000000 ] - [ -0.0001197800000000, 0.0000663400000000, -0.0005881600000000 ] - [ 0.0235362800000000, 0.0013274000000000, 0.0461491100000000 ] - [ 0.0000815400000000, 0.0000167800000000, -0.0014777400000000 ] - [ -0.0129177000000000, 0.0197193200000000, 0.0461491100000000 ] - [ -0.0000553100000000, 0.0000622300000000, -0.0014777400000000 ] - [ -0.0106185800000000, -0.0210467200000000, 0.0461491100000000 ] - [ -0.0000262400000000, -0.0000790100000000, -0.0014777400000000 ] - [ 0.0003558800000000, -0.0000731700000000, -0.0011896900000000 ] - [ -0.0007844100000000, -0.0003852900000000, -0.0005856300000000 ] - [ -0.0002413100000000, -0.0002716200000000, -0.0011896900000000 ] - [ 0.0000585300000000, 0.0008719600000000, -0.0005856300000000 ] - [ -0.0001145800000000, 0.0003447900000000, -0.0011896900000000 ] - [ 0.0007258800000000, -0.0004866700000000, -0.0005856300000000 ] - [ -0.0002325700000000, -0.0004731200000000, 0.0027064100000000 ] - [ -0.0001896300000000, -0.0002352500000000, -0.0011333400000000 ] - [ 0.0005260100000000, 0.0000351500000000, 0.0027064100000000 ] - [ 0.0002985500000000, -0.0000466000000000, -0.0011333400000000 ] - [ -0.0002934500000000, 0.0004379700000000, 0.0027064100000000 ] - [ -0.0001089100000000, 0.0002818500000000, -0.0011333400000000 ] - [ -0.0008225200000000, -0.0013382600000000, 0.0016646600000000 ] - [ -0.0001386800000000, -0.0002510900000000, -0.0011758900000000 ] - [ -0.0007477100000000, 0.0013814500000000, 0.0016646600000000 ] - [ -0.0001481100000000, 0.0002456500000000, -0.0011758900000000 ] - [ 0.0015702300000000, -0.0000431900000000, 0.0016646600000000 ] - [ 0.0002867900000000, 0.0000054400000000, -0.0011758900000000 ] - [ -0.0003354600000000, -0.0000247100000000, -0.0017493400000000 ] - [ 0.0372538600000000, 0.0015719800000000, 0.0565277400000000 ] - [ 0.0001891300000000, -0.0002781600000000, -0.0017493400000000 ] - [ -0.0199883000000000, 0.0314768000000000, 0.0565277400000000 ] - [ 0.0001463300000000, 0.0003028700000000, -0.0017493400000000 ] - [ -0.0172655500000000, -0.0330487800000000, 0.0565277400000000 ] - [ 0.0041332700000000, -0.0057839600000000, -0.0049112700000000 ] - [ 0.0000997600000000, 0.0000593900000000, 0.0014777700000000 ] - [ -0.0070756900000000, -0.0006875400000000, -0.0049112700000000 ] - [ 0.0000015500000000, -0.0001160900000000, 0.0014777700000000 ] - [ 0.0029424200000000, 0.0064715000000000, -0.0049112700000000 ] - [ -0.0001013100000000, 0.0000567000000000, 0.0014777700000000 ] - [ -0.0007139200000000, 0.0000810000000000, 0.0013946000000000 ] - [ 0.0020558800000000, -0.0002240600000000, 0.0035170400000000 ] - [ 0.0002868100000000, -0.0006587700000000, 0.0013946000000000 ] - [ -0.0008339000000000, 0.0018924700000000, 0.0035170400000000 ] - [ 0.0004271100000000, 0.0005777700000000, 0.0013946000000000 ] - [ -0.0012219800000000, -0.0016684100000000, 0.0035170400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024778200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043982500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418963600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045340900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026015600000000 ] - [ 0.0002413800000000, -0.0000405300000000, 0.0014823500000000 ] - [ 0.0048484400000000, -0.0068266000000000, -0.0056396600000000 ] - [ -0.0000855900000000, 0.0002293100000000, 0.0014823500000000 ] - [ 0.0034877900000000, 0.0076121800000000, -0.0056396600000000 ] - [ -0.0001557900000000, -0.0001887800000000, 0.0014823500000000 ] - [ -0.0083362300000000, -0.0007855700000000, -0.0056396600000000 ] - [ -0.0012025200000000, 0.0026887400000000, 0.0018938800000000 ] - [ 0.0000514500000000, -0.0002356400000000, 0.0009483700000000 ] - [ -0.0017272500000000, -0.0023857800000000, 0.0018938800000000 ] - [ 0.0001783500000000, 0.0001623800000000, 0.0009483700000000 ] - [ 0.0029297700000000, -0.0003029600000000, 0.0018938800000000 ] - [ -0.0002298000000000, 0.0000732700000000, 0.0009483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4359798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017380300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014091600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024452300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1121035200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029247200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005199700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005492000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003417300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012407900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000236200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007653300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003118400000000, -0.0005408200000000, -0.0002356700000000 ] - [ 0.0000643100000000, 0.0002246700000000, 0.0008969100000000 ] - [ 0.0006242800000000, 0.0000003400000000, -0.0002356700000000 ] - [ -0.0002267200000000, -0.0000566400000000, 0.0008969100000000 ] - [ -0.0003124400000000, 0.0005404700000000, -0.0002356700000000 ] - [ 0.0001624100000000, -0.0001680200000000, 0.0008969100000000 ] - [ 0.0009891000000000, -0.0013075000000000, 0.0046507300000000 ] - [ -0.0006057600000000, 0.0006570000000000, 0.0028443100000000 ] - [ -0.0016268800000000, -0.0002028400000000, 0.0046507300000000 ] - [ 0.0008718600000000, 0.0001961000000000, 0.0028443100000000 ] - [ 0.0006377800000000, 0.0015103400000000, 0.0046507300000000 ] - [ -0.0002661000000000, -0.0008531000000000, 0.0028443100000000 ] - [ -0.0004614300000000, 0.0007337600000000, -0.0003929500000000 ] - [ 0.0000455400000000, -0.0000902700000000, 0.0011280600000000 ] - [ -0.0004047400000000, -0.0007664900000000, -0.0003929500000000 ] - [ 0.0000554100000000, 0.0000845800000000, 0.0011280600000000 ] - [ 0.0008661700000000, 0.0000327300000000, -0.0003929500000000 ] - [ -0.0001009500000000, 0.0000056900000000, 0.0011280600000000 ] - [ 0.0002163400000000, 0.0004235700000000, 0.0010891500000000 ] - [ -0.0001569700000000, -0.0001636800000000, 0.0007286300000000 ] - [ 0.0002586500000000, -0.0003991400000000, 0.0010891500000000 ] - [ -0.0000632700000000, 0.0002177800000000, 0.0007286300000000 ] - [ -0.0004749900000000, -0.0000244200000000, 0.0010891500000000 ] - [ 0.0002202300000000, -0.0000541000000000, 0.0007286300000000 ] - [ -0.0258013600000000, -0.0015356200000000, -0.0482387500000000 ] - [ 0.0000146300000000, -0.0000284600000000, 0.0013287300000000 ] - [ 0.0142305700000000, -0.0215768200000000, -0.0482387500000000 ] - [ 0.0000173300000000, 0.0000269000000000, 0.0013287300000000 ] - [ 0.0115707900000000, 0.0231124400000000, -0.0482387500000000 ] - [ -0.0000319600000000, 0.0000015600000000, 0.0013287300000000 ] - [ -0.0003846400000000, 0.0001072900000000, 0.0010963500000000 ] - [ 0.0007461600000000, 0.0004184900000000, 0.0004890700000000 ] - [ 0.0002852400000000, 0.0002794600000000, 0.0010963500000000 ] - [ -0.0000106600000000, -0.0008554400000000, 0.0004890700000000 ] - [ 0.0000994000000000, -0.0003867600000000, 0.0010963500000000 ] - [ -0.0007355000000000, 0.0004369500000000, 0.0004890700000000 ] - [ 0.0002237700000000, 0.0005258400000000, -0.0026069300000000 ] - [ 0.0001779500000000, 0.0002830800000000, 0.0012277200000000 ] - [ -0.0005672800000000, -0.0000691200000000, -0.0026069300000000 ] - [ -0.0003341300000000, 0.0000125700000000, 0.0012277200000000 ] - [ 0.0003435000000000, -0.0004567100000000, -0.0026069300000000 ] - [ 0.0001561800000000, -0.0002956500000000, 0.0012277200000000 ] - [ 0.0008787700000000, 0.0014056300000000, -0.0014806900000000 ] - [ 0.0001995200000000, 0.0003251500000000, 0.0013664000000000 ] - [ 0.0007779200000000, -0.0014638500000000, -0.0014806900000000 ] - [ 0.0001818300000000, -0.0003353700000000, 0.0013664000000000 ] - [ -0.0016566900000000, 0.0000582300000000, -0.0014806900000000 ] - [ -0.0003813500000000, 0.0000102200000000, 0.0013664000000000 ] - [ 0.0002389900000000, 0.0000085100000000, 0.0015615400000000 ] - [ -0.0354516300000000, -0.0014172800000000, -0.0561909400000000 ] - [ -0.0001268600000000, 0.0002027200000000, 0.0015615400000000 ] - [ 0.0189532100000000, -0.0299933700000000, -0.0561909400000000 ] - [ -0.0001121300000000, -0.0002112300000000, 0.0015615400000000 ] - [ 0.0164984200000000, 0.0314106500000000, -0.0561909400000000 ] - [ -0.0040370000000000, 0.0057857100000000, 0.0048983100000000 ] - [ 0.0000131300000000, -0.0000817100000000, -0.0014843900000000 ] - [ 0.0070290700000000, 0.0006032900000000, 0.0048983100000000 ] - [ -0.0000773300000000, 0.0000294800000000, -0.0014843900000000 ] - [ -0.0029920700000000, -0.0063890000000000, 0.0048983100000000 ] - [ 0.0000642000000000, 0.0000522200000000, -0.0014843900000000 ] - [ 0.0006824800000000, -0.0001927100000000, -0.0013898400000000 ] - [ -0.0020665000000000, 0.0001227500000000, -0.0034873000000000 ] - [ -0.0001743500000000, 0.0006874000000000, -0.0013898400000000 ] - [ 0.0009269400000000, -0.0018510200000000, -0.0034873000000000 ] - [ -0.0005081300000000, -0.0004946900000000, -0.0013898400000000 ] - [ 0.0011395500000000, 0.0017282700000000, -0.0034873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024816100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034542600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0412807300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048444500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022761500000000 ] - [ -0.0002062100000000, 0.0001022100000000, -0.0014833000000000 ] - [ -0.0047496200000000, 0.0067929600000000, 0.0056423600000000 ] - [ 0.0000145900000000, -0.0002296900000000, -0.0014833000000000 ] - [ -0.0035080700000000, -0.0075097700000000, 0.0056423600000000 ] - [ 0.0001916200000000, 0.0001274800000000, -0.0014833000000000 ] - [ 0.0082576900000000, 0.0007168100000000, 0.0056423600000000 ] - [ 0.0012021900000000, -0.0026957400000000, -0.0018881400000000 ] - [ -0.0000560700000000, 0.0002214200000000, -0.0009493500000000 ] - [ 0.0017334900000000, 0.0023889900000000, -0.0018881400000000 ] - [ -0.0001637200000000, -0.0001592700000000, -0.0009493500000000 ] - [ -0.0029356700000000, 0.0003067500000000, -0.0018881400000000 ] - [ 0.0002197900000000, -0.0000621500000000, -0.0009493500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4419009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016785000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014719200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024943500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1147812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028261500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005956300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006149900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003952700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000692600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007150700000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012493400000000, -0.0002220400000000, 0.0005589200000000 ] - [ 0.0000427600000000, 0.0001020400000000, 0.0000084100000000 ] - [ 0.0000194500000000, 0.0005948300000000, -0.0003993400000000 ] - [ -0.0000928900000000, -0.0000004500000000, -0.0001134200000000 ] - [ 0.0001304400000000, -0.0009768900000000, -0.0001449200000000 ] - [ -0.0000778200000000, 0.0001058800000000, 0.0001093900000000 ] - [ 0.0573692800000000, -0.0347142500000000, 0.0248811200000000 ] - [ -0.0000209100000000, 0.0000512300000000, -0.0000812500000000 ] - [ 0.1107679000000000, 0.0057060900000000, -0.0470611800000000 ] - [ -0.0000709600000000, 0.0000181500000000, -0.0000079600000000 ] - [ 0.0475718000000000, 0.0285395000000000, 0.0192027800000000 ] - [ 0.0000234400000000, -0.0000490800000000, -0.0000541100000000 ] - [ -0.0019515600000000, 0.0002910000000000, 0.0005433700000000 ] - [ 0.0000296500000000, -0.0000795500000000, 0.0000737500000000 ] - [ 0.0004060300000000, 0.0013261500000000, 0.0001070400000000 ] - [ -0.0001027000000000, -0.0001040100000000, 0.0000887200000000 ] - [ 0.0001587600000000, -0.0012844800000000, -0.0004984900000000 ] - [ -0.0000363200000000, -0.0000331800000000, -0.0000151100000000 ] - [ -0.0005769200000000, 0.0002068900000000, -0.0005577000000000 ] - [ -0.0002322600000000, -0.0004956100000000, 0.0004956200000000 ] - [ -0.0000590300000000, 0.0002784600000000, 0.0004037700000000 ] - [ -0.0000045700000000, -0.0000261100000000, -0.0001638200000000 ] - [ -0.0002300900000000, 0.0007100900000000, 0.0003920700000000 ] - [ -0.0003692100000000, -0.0000465900000000, -0.0001027000000000 ] - [ 0.0581607200000000, 0.0024380100000000, -0.0260545300000000 ] - [ 0.0001151000000000, -0.0000048800000000, -0.0000017000000000 ] - [ 0.0409113000000000, -0.0144782700000000, 0.0151497000000000 ] - [ -0.0000025700000000, 0.0000160600000000, -0.0001231700000000 ] - [ 0.0355707400000000, 0.0106479600000000, 0.0126835600000000 ] - [ -0.0000145000000000, -0.0000120200000000, -0.0000963700000000 ] - [ -0.0004721900000000, -0.0005403900000000, 0.0003678100000000 ] - [ -0.0003445300000000, 0.0001472800000000, -0.0002327700000000 ] - [ -0.0005097000000000, -0.0001743800000000, 0.0001161800000000 ] - [ 0.0001531500000000, 0.0001848500000000, -0.0002093300000000 ] - [ -0.0008254400000000, -0.0004549000000000, -0.0006135300000000 ] - [ -0.0001525200000000, 0.0005365700000000, 0.0003060000000000 ] - [ 0.0001548900000000, 0.0011592300000000, 0.0001733100000000 ] - [ -0.0000134300000000, 0.0000188400000000, 0.0000504500000000 ] - [ -0.0003598200000000, -0.0014166000000000, -0.0003062700000000 ] - [ -0.0000232500000000, -0.0000238300000000, 0.0000231100000000 ] - [ -0.0022621000000000, 0.0003042900000000, 0.0002543800000000 ] - [ 0.0000145300000000, -0.0000118000000000, 0.0000672500000000 ] - [ 0.0001770100000000, 0.0000699600000000, 0.0003376400000000 ] - [ 0.0001658700000000, 0.0000804800000000, -0.0001505600000000 ] - [ -0.0008073600000000, 0.0000429900000000, -0.0005418900000000 ] - [ -0.0000128000000000, 0.0002166600000000, 0.0004620400000000 ] - [ -0.0004244400000000, -0.0007709300000000, 0.0004765600000000 ] - [ -0.0001916100000000, 0.0000214000000000, -0.0000290200000000 ] - [ 0.0006798300000000, 0.0001049200000000, -0.0001225800000000 ] - [ 0.0039096200000000, 0.0002892200000000, 0.0032338500000000 ] - [ 0.0000324600000000, -0.0006025000000000, -0.0000580900000000 ] - [ 0.0023821400000000, -0.0012835400000000, -0.0021285900000000 ] - [ -0.0002019800000000, 0.0004578400000000, -0.0000926600000000 ] - [ 0.0018213700000000, 0.0009269500000000, -0.0013482600000000 ] - [ 0.0010080400000000, -0.0086230800000000, -0.0040051300000000 ] - [ 0.0000659300000000, 0.0000143800000000, 0.0000600600000000 ] - [ 0.0137078000000000, 0.0021949000000000, 0.0072346000000000 ] - [ -0.0000524600000000, -0.0000327200000000, -0.0000776400000000 ] - [ -0.0021287100000000, 0.0078354500000000, -0.0031612300000000 ] - [ -0.0000080800000000, 0.0000509500000000, 0.0000041200000000 ] - [ 0.0018109400000000, -0.0002529600000000, -0.0005871300000000 ] - [ -0.0001055900000000, 0.0000373100000000, -0.0003431700000000 ] - [ 0.0008753500000000, -0.0003198200000000, 0.0000135800000000 ] - [ -0.0000298300000000, 0.0000652300000000, 0.0002586800000000 ] - [ 0.0011679100000000, 0.0006275900000000, 0.0005584500000000 ] - [ -0.0001630100000000, 0.0001107600000000, 0.0000953300000000 ] - [ 0.0002096900000000, 0.0001506800000000, -0.0000008000000000 ] - [ 0.0002250700000000, -0.0002873100000000, 0.0000078800000000 ] - [ -0.0086613000000000, 0.0001141900000000, -0.0002298800000000 ] - [ 0.0005509600000000, -0.0000223600000000, -0.0001542100000000 ] - [ 0.0005266300000000, 0.0001723500000000, 0.0001740200000000 ] - [ -0.0000263000000000, -0.0000173000000000, 0.0001621400000000 ] - [ -0.0001259400000000, -0.0002347100000000, 0.0000804500000000 ] - [ 0.0014441100000000, -0.0004216900000000, 0.0019200100000000 ] - [ -0.0002949200000000, 0.0000981900000000, -0.0000203500000000 ] - [ 0.0010469600000000, 0.0003647700000000, 0.0013163400000000 ] - [ 0.0001278100000000, -0.0000151200000000, -0.0000598300000000 ] - [ 0.0019727700000000, 0.0002199100000000, -0.0032208200000000 ] - [ -0.0005008900000000, -0.0078489700000000, -0.0031230300000000 ] - [ 0.0000022100000000, 0.0000341100000000, 0.0000474200000000 ] - [ 0.0001867500000000, 0.0083658500000000, -0.0025809600000000 ] - [ 0.0000226100000000, -0.0000426700000000, 0.0000444900000000 ] - [ 0.0137314100000000, -0.0003072700000000, 0.0056461600000000 ] - [ -0.0000670900000000, -0.0000054800000000, -0.0000943300000000 ] - [ -0.0146891300000000, 0.0003945800000000, -0.0002732700000000 ] - [ 0.0000256400000000, 0.0000052400000000, 0.0000326900000000 ] - [ 0.0004160100000000, -0.0001514300000000, -0.0000364500000000 ] - [ 0.0004444900000000, -0.0000990200000000, -0.0000314700000000 ] - [ -0.3623642800000000, -0.0002332200000000, 0.0011388800000000 ] - [ 0.0000292300000000, -0.0000012500000000, 0.0000358200000000 ] - [ -0.0000903200000000, -0.0005443000000000, -0.0000420800000000 ] - [ 0.0001876400000000, 0.0002190900000000, -0.0000394600000000 ] - [ -0.0001260000000000, 0.0001616600000000, -0.0000257600000000 ] - [ -0.0000528600000000, 0.0000160200000000, -0.0000276300000000 ] - [ 0.0004039200000000, 0.0005533400000000, 0.0000223300000000 ] - [ 0.0002214300000000, -0.0001334200000000, 0.0000237200000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012887100000000, 0.0002822700000000, -0.0005414300000000 ] - [ -0.0000182000000000, -0.0000588400000000, -0.0000049100000000 ] - [ -0.0000602800000000, -0.0005965200000000, 0.0004124900000000 ] - [ 0.0000449700000000, 0.0000015900000000, 0.0001162300000000 ] - [ -0.0001083900000000, 0.0009460500000000, 0.0001433900000000 ] - [ 0.0001024800000000, -0.0001470900000000, -0.0001067200000000 ] - [ -0.0577040000000000, 0.0361529800000000, -0.0260735200000000 ] - [ -0.0000161400000000, -0.0000604600000000, -0.0000141600000000 ] - [ -0.1058665700000000, -0.0052321600000000, 0.0429598600000000 ] - [ 0.0000779500000000, 0.0000195300000000, -0.0000864900000000 ] - [ -0.0474217700000000, -0.0294019600000000, -0.0198053300000000 ] - [ 0.0000023200000000, 0.0000202300000000, -0.0000417800000000 ] - [ 0.0019873400000000, -0.0002634400000000, -0.0004322800000000 ] - [ -0.0000027000000000, 0.0001087800000000, 0.0000249500000000 ] - [ -0.0004487500000000, -0.0013261200000000, -0.0000100900000000 ] - [ 0.0000626200000000, 0.0001089600000000, 0.0000093800000000 ] - [ -0.0001153300000000, 0.0012634900000000, 0.0005938500000000 ] - [ 0.0000521100000000, -0.0000036900000000, 0.0001128800000000 ] - [ 0.0005512800000000, -0.0003018800000000, 0.0007189900000000 ] - [ 0.0001899000000000, 0.0003965000000000, -0.0003421100000000 ] - [ 0.0000023600000000, -0.0002019800000000, -0.0002450100000000 ] - [ -0.0000554600000000, 0.0001078800000000, 0.0003158300000000 ] - [ 0.0003403900000000, -0.0007084200000000, -0.0002360200000000 ] - [ 0.0004734600000000, 0.0000567600000000, 0.0002554000000000 ] - [ -0.0605784400000000, -0.0027608100000000, 0.0285835200000000 ] - [ -0.0000188800000000, -0.0000066000000000, -0.0001466800000000 ] - [ -0.0404916000000000, 0.0137270100000000, -0.0144272900000000 ] - [ -0.0000391600000000, 0.0000778000000000, -0.0000239000000000 ] - [ -0.0355685400000000, -0.0101636800000000, -0.0123416400000000 ] - [ -0.0000447700000000, -0.0000664500000000, -0.0000501500000000 ] - [ 0.0004464100000000, 0.0005876900000000, -0.0004578700000000 ] - [ 0.0003145600000000, -0.0001117000000000, 0.0001407400000000 ] - [ 0.0005549400000000, 0.0001937900000000, -0.0002007000000000 ] - [ -0.0001108300000000, -0.0001781100000000, 0.0001184700000000 ] - [ 0.0008243200000000, 0.0004193500000000, 0.0005288300000000 ] - [ 0.0001351800000000, -0.0005740900000000, -0.0003951700000000 ] - [ -0.0001688400000000, -0.0011053800000000, -0.0000825000000000 ] - [ 0.0000008800000000, 0.0000266800000000, 0.0000431800000000 ] - [ 0.0003253200000000, 0.0013740500000000, 0.0003861700000000 ] - [ -0.0000098500000000, -0.0000116300000000, 0.0000705800000000 ] - [ 0.0022966000000000, -0.0003063100000000, -0.0001826400000000 ] - [ 0.0000324800000000, -0.0000015600000000, 0.0000272900000000 ] - [ -0.0001178400000000, -0.0000059600000000, -0.0001576100000000 ] - [ -0.0001000000000000, -0.0000036500000000, 0.0003412300000000 ] - [ 0.0008359400000000, -0.0001294200000000, 0.0007205700000000 ] - [ 0.0000499400000000, -0.0003177700000000, -0.0002774500000000 ] - [ 0.0003329700000000, 0.0007835700000000, -0.0002909900000000 ] - [ 0.0000966400000000, -0.0000031400000000, 0.0002185400000000 ] - [ -0.0007948600000000, -0.0001219100000000, -0.0000607400000000 ] - [ -0.0039203000000000, -0.0002926900000000, -0.0033660000000000 ] - [ 0.0000357600000000, 0.0005293100000000, -0.0001241100000000 ] - [ -0.0023195900000000, 0.0012129600000000, 0.0019551000000000 ] - [ 0.0002392500000000, -0.0003686800000000, -0.0000874900000000 ] - [ -0.0017787000000000, -0.0008251200000000, 0.0011686000000000 ] - [ -0.0009169600000000, 0.0086509300000000, 0.0040472900000000 ] - [ 0.0000471100000000, -0.0000368700000000, -0.0000696500000000 ] - [ -0.0136295400000000, -0.0022745100000000, -0.0071750400000000 ] - [ -0.0000223900000000, -0.0000546100000000, 0.0000685500000000 ] - [ 0.0020707100000000, -0.0077689600000000, 0.0031960600000000 ] - [ -0.0000280900000000, 0.0000567900000000, -0.0000136200000000 ] - [ -0.0019037200000000, 0.0001556400000000, 0.0006296700000000 ] - [ 0.0000695900000000, -0.0001474200000000, 0.0003456100000000 ] - [ -0.0007872800000000, 0.0003716000000000, -0.0000362100000000 ] - [ 0.0001402400000000, -0.0000366200000000, -0.0002492400000000 ] - [ -0.0012763000000000, -0.0006003200000000, -0.0006089000000000 ] - [ 0.0000817400000000, -0.0000277300000000, -0.0000860000000000 ] - [ -0.0002116200000000, -0.0001545000000000, -0.0000009600000000 ] - [ -0.0002233100000000, 0.0002843700000000, 0.0000079800000000 ] - [ 0.0086991500000000, -0.0001038200000000, -0.0002303800000000 ] - [ -0.0005443600000000, 0.0000231100000000, -0.0001540600000000 ] - [ -0.0005225500000000, -0.0001699000000000, 0.0001735000000000 ] - [ 0.0000252100000000, 0.0000180300000000, 0.0001614100000000 ] - [ 0.0001673500000000, 0.0002990300000000, -0.0000799800000000 ] - [ -0.0013934000000000, 0.0004810100000000, -0.0018975200000000 ] - [ 0.0002284400000000, -0.0000985000000000, 0.0000198900000000 ] - [ -0.0011056800000000, -0.0003560500000000, -0.0012869600000000 ] - [ -0.0000972000000000, -0.0000454600000000, 0.0000599500000000 ] - [ -0.0019279500000000, -0.0002817600000000, 0.0031998800000000 ] - [ 0.0005254600000000, 0.0077808600000000, 0.0030965900000000 ] - [ -0.0000067200000000, -0.0000469900000000, -0.0000493100000000 ] - [ -0.0001422400000000, -0.0083329400000000, 0.0025527300000000 ] - [ -0.0000091500000000, 0.0000435200000000, -0.0000459100000000 ] - [ -0.0139169900000000, 0.0003316000000000, -0.0057073500000000 ] - [ 0.0000576200000000, 0.0000163900000000, 0.0000925100000000 ] - [ 0.0145106300000000, -0.0004527500000000, -0.0002726500000000 ] - [ -0.0000199400000000, -0.0000079100000000, 0.0000317600000000 ] - [ -0.0004254900000000, 0.0001542200000000, -0.0000361000000000 ] - [ -0.0004436100000000, 0.0001020200000000, -0.0000312400000000 ] - [ 0.3596934300000000, -0.0002357000000000, 0.0010469800000000 ] - [ -0.0000248300000000, -0.0000011600000000, 0.0000358600000000 ] - [ 0.0000837800000000, 0.0005523800000000, -0.0000418100000000 ] - [ -0.0001903000000000, -0.0002148400000000, -0.0000393600000000 ] - [ 0.0001253300000000, -0.0001681200000000, -0.0000258300000000 ] - [ 0.0000508300000000, -0.0000146500000000, -0.0000277800000000 ] - [ -0.0004056400000000, -0.0005615600000000, 0.0000226800000000 ] - [ -0.0002186000000000, 0.0001321600000000, 0.0000237300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015449000000000, 0.0020462000000000, 0.0019312500000000 ] - [ 0.0000721200000000, 0.0000097500000000, -0.0010456900000000 ] - [ -0.0025445100000000, 0.0003148200000000, 0.0019312500000000 ] - [ -0.0000445100000000, 0.0000575900000000, -0.0010456900000000 ] - [ 0.0009996200000000, -0.0023610200000000, 0.0019312500000000 ] - [ -0.0000276200000000, -0.0000673400000000, -0.0010456900000000 ] - [ 0.0230564600000000, -0.0344670300000000, 0.0610510600000000 ] - [ -0.0001179300000000, 0.0002052400000000, -0.0015848500000000 ] - [ -0.0413775500000000, -0.0027339700000000, 0.0610510600000000 ] - [ 0.0002367100000000, -0.0000004900000000, -0.0015848500000000 ] - [ 0.0183210900000000, 0.0372010000000000, 0.0610510600000000 ] - [ -0.0001187800000000, -0.0002047500000000, -0.0015848500000000 ] - [ 0.0007822700000000, -0.0011393500000000, 0.0019993100000000 ] - [ 0.0001678500000000, -0.0001924500000000, -0.0011388000000000 ] - [ 0.0005955700000000, 0.0012471400000000, 0.0019993100000000 ] - [ 0.0000827400000000, 0.0002415900000000, -0.0011388000000000 ] - [ -0.0013778400000000, -0.0001077900000000, 0.0019993100000000 ] - [ -0.0002506000000000, -0.0000491400000000, -0.0011388000000000 ] - [ -0.0003705400000000, -0.0003961100000000, -0.0004619800000000 ] - [ 0.0002778800000000, 0.0004066200000000, -0.0008923600000000 ] - [ -0.0001577800000000, 0.0005189500000000, -0.0004619800000000 ] - [ 0.0002132000000000, -0.0004439600000000, -0.0008923600000000 ] - [ 0.0005283100000000, -0.0001228400000000, -0.0004619800000000 ] - [ -0.0004910800000000, 0.0000373400000000, -0.0008923600000000 ] - [ -0.0248678700000000, -0.0014195800000000, 0.0476910500000000 ] - [ -0.0001030400000000, 0.0000035400000000, -0.0014654500000000 ] - [ 0.0136633300000000, -0.0208264200000000, 0.0476910500000000 ] - [ 0.0000484600000000, -0.0000910000000000, -0.0014654500000000 ] - [ 0.0112045400000000, 0.0222460000000000, 0.0476910500000000 ] - [ 0.0000545800000000, 0.0000874700000000, -0.0014654500000000 ] - [ 0.0002209300000000, 0.0000586600000000, -0.0005167500000000 ] - [ -0.0009926900000000, -0.0000766200000000, -0.0008696200000000 ] - [ -0.0000596600000000, -0.0002206700000000, -0.0005167500000000 ] - [ 0.0004299900000000, 0.0008980100000000, -0.0008696200000000 ] - [ -0.0001612700000000, 0.0001620000000000, -0.0005167500000000 ] - [ 0.0005627000000000, -0.0008213900000000, -0.0008696200000000 ] - [ 0.0010241700000000, 0.0023783100000000, 0.0024026200000000 ] - [ -0.0002272700000000, -0.0003409700000000, -0.0010407400000000 ] - [ -0.0025717600000000, -0.0003022000000000, 0.0024026200000000 ] - [ 0.0004089200000000, -0.0000263400000000, -0.0010407400000000 ] - [ 0.0015475900000000, -0.0020761100000000, 0.0024026200000000 ] - [ -0.0001816500000000, 0.0003673000000000, -0.0010407400000000 ] - [ -0.0002173000000000, -0.0005143100000000, 0.0005552900000000 ] - [ 0.0001191900000000, 0.0000611700000000, -0.0010073800000000 ] - [ -0.0003367600000000, 0.0004453400000000, 0.0005552900000000 ] - [ -0.0000066200000000, -0.0001338100000000, -0.0010073800000000 ] - [ 0.0005540500000000, 0.0000689700000000, 0.0005552900000000 ] - [ -0.0001125700000000, 0.0000726400000000, -0.0010073800000000 ] - [ 0.0009223700000000, 0.0001061300000000, -0.0031436000000000 ] - [ -0.0019766500000000, -0.0001465900000000, -0.0046799200000000 ] - [ -0.0005531000000000, 0.0007457300000000, -0.0031436000000000 ] - [ 0.0011152800000000, -0.0016385400000000, -0.0046799200000000 ] - [ -0.0003692700000000, -0.0008518600000000, -0.0031436000000000 ] - [ 0.0008613800000000, 0.0017851200000000, -0.0046799200000000 ] - [ -0.0041902800000000, 0.0055975600000000, -0.0067744400000000 ] - [ 0.0002968400000000, -0.0002302700000000, 0.0014721600000000 ] - [ 0.0069427700000000, 0.0008301200000000, -0.0067744400000000 ] - [ -0.0003478400000000, -0.0001419400000000, 0.0014721600000000 ] - [ -0.0027524800000000, -0.0064276700000000, -0.0067744400000000 ] - [ 0.0000510000000000, 0.0003722100000000, 0.0014721600000000 ] - [ -0.0038026900000000, 0.0002445800000000, 0.0039964900000000 ] - [ 0.0005271400000000, -0.0000031000000000, 0.0014207400000000 ] - [ 0.0016895300000000, -0.0034155200000000, 0.0039964900000000 ] - [ -0.0002608900000000, 0.0004580600000000, 0.0014207400000000 ] - [ 0.0021131600000000, 0.0031709400000000, 0.0039964900000000 ] - [ -0.0002662500000000, -0.0004549700000000, 0.0014207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018737000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009242700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0435193200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041177400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0039195300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025129200000000 ] - [ -0.0000747200000000, 0.0004766600000000, 0.0011885600000000 ] - [ 0.0019209100000000, -0.0028970800000000, 0.0019335000000000 ] - [ -0.0003754400000000, -0.0003030400000000, 0.0011885600000000 ] - [ 0.0015484900000000, 0.0031121000000000, 0.0019335000000000 ] - [ 0.0004501600000000, -0.0001736200000000, 0.0011885600000000 ] - [ -0.0034694000000000, -0.0002150200000000, 0.0019335000000000 ] - [ -0.0035629100000000, 0.0053573500000000, -0.0053965500000000 ] - [ -0.0001743700000000, 0.0000935700000000, 0.0011304500000000 ] - [ -0.0028581500000000, -0.0057642400000000, -0.0053965500000000 ] - [ 0.0000061500000000, -0.0001977900000000, 0.0011304500000000 ] - [ 0.0064210500000000, 0.0004068900000000, -0.0053965500000000 ] - [ 0.0001682200000000, 0.0001042200000000, 0.0011304500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1148628000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028912100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005224200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4584844700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017235000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014781100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013083400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012444500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004120000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013351500000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0015276800000000, -0.0020118100000000, -0.0019293900000000 ] - [ -0.0000465500000000, 0.0000338500000000, 0.0010479000000000 ] - [ 0.0025061200000000, -0.0003171000000000, -0.0019293900000000 ] - [ -0.0000060400000000, -0.0000572400000000, 0.0010479000000000 ] - [ -0.0009784400000000, 0.0023289100000000, -0.0019293900000000 ] - [ 0.0000525900000000, 0.0000233900000000, 0.0010479000000000 ] - [ -0.0242848600000000, 0.0362052200000000, -0.0617173200000000 ] - [ 0.0000788200000000, -0.0002119100000000, 0.0014903300000000 ] - [ 0.0434970700000000, 0.0029287000000000, -0.0617173200000000 ] - [ -0.0002229300000000, 0.0000376900000000, 0.0014903300000000 ] - [ -0.0192122100000000, -0.0391339200000000, -0.0617173200000000 ] - [ 0.0001441100000000, 0.0001742200000000, 0.0014903300000000 ] - [ -0.0007622100000000, 0.0011779400000000, -0.0019044800000000 ] - [ -0.0001436500000000, 0.0002258000000000, 0.0012368500000000 ] - [ -0.0006390300000000, -0.0012490600000000, -0.0019044800000000 ] - [ -0.0001237200000000, -0.0002373100000000, 0.0012368500000000 ] - [ 0.0014012300000000, 0.0000711200000000, -0.0019044800000000 ] - [ 0.0002673800000000, 0.0000115100000000, 0.0012368500000000 ] - [ 0.0003340400000000, 0.0003045600000000, 0.0006209500000000 ] - [ -0.0003192500000000, -0.0005003000000000, 0.0010457400000000 ] - [ 0.0000967300000000, -0.0004415600000000, 0.0006209500000000 ] - [ -0.0002736500000000, 0.0005266200000000, 0.0010457400000000 ] - [ -0.0004307700000000, 0.0001370100000000, 0.0006209500000000 ] - [ 0.0005928900000000, -0.0000263300000000, 0.0010457400000000 ] - [ 0.0226033500000000, 0.0011967900000000, -0.0458736700000000 ] - [ 0.0001994000000000, -0.0000152300000000, 0.0013187900000000 ] - [ -0.0123381200000000, 0.0189766900000000, -0.0458736700000000 ] - [ -0.0000865100000000, 0.0001803100000000, 0.0013187900000000 ] - [ -0.0102652300000000, -0.0201734700000000, -0.0458736700000000 ] - [ -0.0001129000000000, -0.0001650700000000, 0.0013187900000000 ] - [ -0.0002530700000000, -0.0000290600000000, 0.0004321500000000 ] - [ 0.0009636200000000, 0.0001105300000000, 0.0007789400000000 ] - [ 0.0001013700000000, 0.0002336900000000, 0.0004321500000000 ] - [ -0.0003860900000000, -0.0008897900000000, 0.0007789400000000 ] - [ 0.0001517000000000, -0.0002046400000000, 0.0004321500000000 ] - [ -0.0005775300000000, 0.0007792600000000, 0.0007789400000000 ] - [ -0.0010366400000000, -0.0023345300000000, -0.0023227600000000 ] - [ 0.0002149200000000, 0.0003882800000000, 0.0011354300000000 ] - [ 0.0025400800000000, 0.0002695100000000, -0.0023227600000000 ] - [ -0.0004437200000000, -0.0000080200000000, 0.0011354300000000 ] - [ -0.0015034400000000, 0.0020650200000000, -0.0023227600000000 ] - [ 0.0002288000000000, -0.0003802600000000, 0.0011354300000000 ] - [ 0.0002779000000000, 0.0005873000000000, -0.0003697700000000 ] - [ -0.0000531200000000, 0.0000165900000000, 0.0011952700000000 ] - [ 0.0003696600000000, -0.0005343200000000, -0.0003697700000000 ] - [ 0.0000409200000000, 0.0000377100000000, 0.0011952700000000 ] - [ -0.0006475700000000, -0.0000529800000000, -0.0003697700000000 ] - [ 0.0000121900000000, -0.0000542900000000, 0.0011952700000000 ] - [ -0.0010321000000000, -0.0001239900000000, 0.0029828700000000 ] - [ 0.0018854900000000, 0.0001316200000000, 0.0044401600000000 ] - [ 0.0006234300000000, -0.0008318300000000, 0.0029828700000000 ] - [ -0.0010567400000000, 0.0015670700000000, 0.0044401600000000 ] - [ 0.0004086800000000, 0.0009558200000000, 0.0029828700000000 ] - [ -0.0008287600000000, -0.0016987000000000, 0.0044401600000000 ] - [ 0.0042896300000000, -0.0055964900000000, 0.0067866600000000 ] - [ -0.0001833000000000, 0.0002076500000000, -0.0014832300000000 ] - [ -0.0069915100000000, -0.0009166800000000, 0.0067866600000000 ] - [ 0.0002714800000000, 0.0000549200000000, -0.0014832300000000 ] - [ 0.0027018900000000, 0.0065131700000000, 0.0067866600000000 ] - [ -0.0000881800000000, -0.0002625700000000, -0.0014832300000000 ] - [ 0.0038096400000000, -0.0003509200000000, -0.0040383100000000 ] - [ -0.0005606200000000, -0.0001086200000000, -0.0014127600000000 ] - [ -0.0016009100000000, 0.0034747100000000, -0.0040383100000000 ] - [ 0.0003743800000000, -0.0004312000000000, -0.0014127600000000 ] - [ -0.0022087300000000, -0.0031237800000000, -0.0040383100000000 ] - [ 0.0001862400000000, 0.0005398200000000, -0.0014127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018774300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009336700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0448142300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044532700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042670400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021907600000000 ] - [ 0.0001120500000000, -0.0004179700000000, -0.0011911600000000 ] - [ -0.0018830900000000, 0.0029572400000000, -0.0019392800000000 ] - [ 0.0003059400000000, 0.0003060300000000, -0.0011911600000000 ] - [ -0.0016195000000000, -0.0031094200000000, -0.0019392800000000 ] - [ -0.0004180000000000, 0.0001119400000000, -0.0011911600000000 ] - [ 0.0035025800000000, 0.0001521800000000, -0.0019392800000000 ] - [ 0.0036068300000000, -0.0054553900000000, 0.0054045900000000 ] - [ 0.0001690600000000, -0.0001041900000000, -0.0011325200000000 ] - [ 0.0029210900000000, 0.0058513100000000, 0.0054045900000000 ] - [ 0.0000057000000000, 0.0001985100000000, -0.0011325200000000 ] - [ -0.0065279300000000, -0.0003959100000000, 0.0054045900000000 ] - [ -0.0001747600000000, -0.0000943200000000, -0.0011325200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1120224300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005926400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4527261300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016519900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052474200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012989600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003698500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012861000000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0423355800000000, 0.0174094000000000, 0.0203204700000000 ] - [ 0.0000397100000000, 0.0000659000000000, -0.0000608000000000 ] - [ 0.0734239100000000, -0.0004019100000000, -0.0416524100000000 ] - [ 0.0000674400000000, -0.0000022500000000, 0.0001075600000000 ] - [ 0.0413625900000000, -0.0167217000000000, 0.0189004400000000 ] - [ 0.0000331000000000, -0.0000591500000000, -0.0000516400000000 ] - [ -0.0018777000000000, 0.0004805900000000, 0.0003033300000000 ] - [ -0.0000325400000000, 0.0000053400000000, -0.0000329200000000 ] - [ -0.0002458800000000, -0.0010836300000000, -0.0004108100000000 ] - [ 0.0000039500000000, 0.0000079200000000, -0.0000837200000000 ] - [ 0.0003329100000000, 0.0010627500000000, -0.0000203500000000 ] - [ 0.0000223900000000, -0.0000077400000000, -0.0000288600000000 ] - [ 0.0006794900000000, -0.0010170300000000, -0.0001596200000000 ] - [ -0.0000288600000000, 0.0000959100000000, 0.0001196600000000 ] - [ -0.0019450400000000, -0.0008283800000000, 0.0004819300000000 ] - [ -0.0000148600000000, 0.0000251700000000, 0.0000088900000000 ] - [ -0.0004319700000000, 0.0012893100000000, -0.0001648700000000 ] - [ -0.0000608600000000, -0.0000078900000000, 0.0000153400000000 ] - [ -0.0001750100000000, -0.0002379500000000, 0.0006062600000000 ] - [ 0.0000041900000000, 0.0000295100000000, -0.0000997400000000 ] - [ -0.0006024100000000, -0.0001420600000000, -0.0006836800000000 ] - [ -0.0002889600000000, 0.0005614300000000, 0.0003873000000000 ] - [ -0.0003249500000000, -0.0005455900000000, 0.0003167900000000 ] - [ -0.0004504800000000, 0.0000569000000000, -0.0000590300000000 ] - [ -0.0000110600000000, 0.0008289800000000, -0.0003665600000000 ] - [ 0.0000035200000000, -0.0000134700000000, -0.0001680300000000 ] - [ 0.0000647700000000, -0.0008387000000000, -0.0001941700000000 ] - [ -0.0001160200000000, 0.0001502800000000, -0.0000246000000000 ] - [ -0.0014980200000000, -0.0002001700000000, 0.0003200100000000 ] - [ -0.0000016000000000, 0.0000557100000000, -0.0000350200000000 ] - [ 0.0038998000000000, -0.0000167200000000, 0.0029624300000000 ] - [ 0.0008420200000000, 0.0000282600000000, 0.0000359600000000 ] - [ 0.0018938900000000, 0.0010589100000000, -0.0017337000000000 ] - [ -0.0000588200000000, 0.0005053600000000, -0.0001437600000000 ] - [ 0.0019743100000000, -0.0013248800000000, -0.0014154700000000 ] - [ -0.0000517700000000, -0.0005646700000000, -0.0000493700000000 ] - [ 0.0487722100000000, 0.0261226600000000, 0.0145894000000000 ] - [ -0.0000019100000000, -0.0000267700000000, 0.0000301700000000 ] - [ 0.0863926600000000, -0.0032408800000000, -0.0279061400000000 ] - [ -0.0000927300000000, -0.0000072500000000, 0.0000889500000000 ] - [ 0.0435937500000000, -0.0239624000000000, 0.0157239000000000 ] - [ 0.0000374000000000, 0.0000474700000000, 0.0000158400000000 ] - [ -0.0007717900000000, 0.0000947800000000, -0.0002434400000000 ] - [ 0.0000552800000000, -0.0003025300000000, 0.0005357000000000 ] - [ 0.0001681300000000, 0.0003421200000000, -0.0000017800000000 ] - [ 0.0001316600000000, -0.0001330300000000, -0.0001610100000000 ] - [ -0.0006507700000000, 0.0010542500000000, 0.0005236400000000 ] - [ -0.0002058000000000, -0.0001289700000000, -0.0000952500000000 ] - [ -0.0003361600000000, 0.0001266800000000, -0.0002701200000000 ] - [ -0.0003853700000000, -0.0009286700000000, 0.0003701900000000 ] - [ -0.0000554100000000, 0.0003910400000000, 0.0001634400000000 ] - [ -0.0009089600000000, -0.0004461200000000, -0.0007457900000000 ] - [ 0.0000877100000000, 0.0001595000000000, -0.0001781900000000 ] - [ -0.0001749800000000, -0.0001037700000000, 0.0000835900000000 ] - [ 0.0193261100000000, -0.0026836500000000, 0.0072647000000000 ] - [ -0.0000000100000000, -0.0000545900000000, -0.0000938000000000 ] - [ 0.0024269600000000, 0.0115482100000000, -0.0036125600000000 ] - [ -0.0000068700000000, -0.0001012600000000, 0.0000477500000000 ] - [ -0.0016359800000000, -0.0097869700000000, -0.0035793700000000 ] - [ -0.0000187100000000, 0.0000839000000000, 0.0000394700000000 ] - [ 0.0006656300000000, 0.0006447700000000, 0.0015572400000000 ] - [ -0.0001623600000000, 0.0000770400000000, 0.0001270800000000 ] - [ 0.0020777700000000, 0.0008755100000000, -0.0030811300000000 ] - [ 0.0002509300000000, -0.0000109600000000, -0.0000436600000000 ] - [ 0.0014652400000000, -0.0003303800000000, 0.0015220800000000 ] - [ -0.0001547000000000, -0.0001856000000000, -0.0000726600000000 ] - [ 0.0005699000000000, 0.0000152200000000, -0.0000026500000000 ] - [ -0.0077960400000000, 0.0000947900000000, 0.0000993800000000 ] - [ 0.0002911400000000, -0.0003280600000000, -0.0001706400000000 ] - [ 0.0001457000000000, 0.0002179300000000, -0.0001644300000000 ] - [ 0.0001999300000000, -0.0005021100000000, 0.0001708500000000 ] - [ -0.0000265900000000, 0.0000670400000000, 0.0001640700000000 ] - [ -0.0001114000000000, 0.0000873800000000, 0.0001536100000000 ] - [ 0.0012213500000000, 0.0003209000000000, 0.0004880900000000 ] - [ -0.0001543500000000, 0.0000305600000000, -0.0002396000000000 ] - [ 0.0020059000000000, 0.0000442600000000, -0.0009677700000000 ] - [ -0.0001282300000000, 0.0000023300000000, 0.0000858200000000 ] - [ 0.0014463000000000, -0.0006189500000000, 0.0005000000000000 ] - [ -0.0007533200000000, 0.0068432100000000, -0.0031502000000000 ] - [ -0.0000021000000000, 0.0000013000000000, 0.0000249800000000 ] - [ 0.0106456000000000, 0.0000711700000000, 0.0063404100000000 ] - [ -0.0000041000000000, -0.0000027800000000, -0.0000918700000000 ] - [ -0.0008928600000000, -0.0064617700000000, -0.0032382100000000 ] - [ -0.0000139700000000, 0.0000131000000000, 0.0000694900000000 ] - [ 0.0001713700000000, 0.0003892500000000, 0.0000328200000000 ] - [ 0.0001739300000000, -0.0000310400000000, 0.0000326900000000 ] - [ 0.0003086600000000, -0.0000113400000000, -0.0000358000000000 ] - [ 0.0008861700000000, -0.0001160900000000, -0.0000310700000000 ] - [ -0.0001206200000000, -0.0001603800000000, 0.0000410300000000 ] - [ -0.0000492000000000, -0.0000162300000000, 0.0000378600000000 ] - [ 0.0004028400000000, 0.0005592800000000, -0.0000420300000000 ] - [ 0.0002189100000000, -0.0001324600000000, -0.0000384300000000 ] - [ -0.3522900500000000, -0.0002739700000000, -0.0002533500000000 ] - [ 0.0000527900000000, 0.0000007800000000, -0.0000250100000000 ] - [ -0.0149390800000000, 0.0010598300000000, 0.0003390500000000 ] - [ -0.0001142600000000, -0.0000010200000000, 0.0000254100000000 ]- atom: 93 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0424050900000000, -0.0181000700000000, -0.0211473500000000 ] - [ -0.0000135200000000, -0.0000204300000000, 0.0000569300000000 ] - [ -0.0707658500000000, 0.0004877800000000, 0.0384554900000000 ] - [ -0.0001160400000000, 0.0000034300000000, -0.0001091500000000 ] - [ -0.0415707500000000, 0.0174373300000000, -0.0196992700000000 ] - [ -0.0000060900000000, 0.0000142100000000, 0.0000475600000000 ] - [ 0.0018489800000000, -0.0004937000000000, -0.0003817100000000 ] - [ -0.0000071400000000, -0.0000126300000000, -0.0000638100000000 ] - [ 0.0002625600000000, 0.0011284400000000, 0.0003302000000000 ] - [ 0.0000075700000000, 0.0000303900000000, -0.0000126900000000 ] - [ -0.0003088600000000, -0.0011052500000000, -0.0000763400000000 ] - [ 0.0000022600000000, -0.0000237200000000, -0.0000685500000000 ] - [ -0.0006510400000000, 0.0010525900000000, 0.0002580600000000 ] - [ 0.0000550200000000, -0.0000642400000000, -0.0000233700000000 ] - [ 0.0019021200000000, 0.0008264600000000, -0.0003699700000000 ] - [ -0.0000247600000000, -0.0000194800000000, 0.0000867800000000 ] - [ 0.0004665600000000, -0.0013324300000000, 0.0002689300000000 ] - [ 0.0000758000000000, -0.0000290700000000, 0.0000805000000000 ] - [ 0.0001362000000000, 0.0001509000000000, -0.0004469000000000 ] - [ -0.0000443800000000, -0.0001212800000000, 0.0002499700000000 ] - [ 0.0005454600000000, 0.0002226700000000, 0.0008444900000000 ] - [ 0.0002261400000000, -0.0004716300000000, -0.0002329600000000 ] - [ 0.0004255400000000, 0.0005564500000000, -0.0001584900000000 ] - [ 0.0005473400000000, -0.0000468200000000, 0.0002113400000000 ] - [ 0.0000959000000000, -0.0008352300000000, 0.0002054700000000 ] - [ 0.0000914200000000, 0.0000020700000000, 0.0000171400000000 ] - [ -0.0001069600000000, 0.0009199900000000, 0.0000451500000000 ] - [ 0.0000764600000000, -0.0000591100000000, -0.0001269600000000 ] - [ 0.0014330200000000, 0.0000881500000000, -0.0004911900000000 ] - [ -0.0000563600000000, -0.0001318100000000, -0.0001175100000000 ] - [ -0.0040378000000000, 0.0000448300000000, -0.0031210300000000 ] - [ -0.0008522900000000, 0.0000055700000000, -0.0001377900000000 ] - [ -0.0018525300000000, -0.0010462800000000, 0.0016265900000000 ] - [ 0.0000973900000000, -0.0005004500000000, 0.0000370400000000 ] - [ -0.0019917200000000, 0.0012837400000000, 0.0013078700000000 ] - [ 0.0000302100000000, 0.0005239900000000, -0.0000556400000000 ] - [ -0.0484887500000000, -0.0249683300000000, -0.0137699200000000 ] - [ -0.0000125100000000, 0.0000702100000000, 0.0000597800000000 ] - [ -0.0908577100000000, 0.0034649200000000, 0.0312817200000000 ] - [ 0.0000638800000000, -0.0000284500000000, 0.0000002400000000 ] - [ -0.0435868200000000, 0.0230715700000000, -0.0150500100000000 ] - [ 0.0000080100000000, -0.0000591500000000, 0.0000753100000000 ] - [ 0.0008162200000000, -0.0000178600000000, 0.0004258200000000 ] - [ 0.0000090200000000, 0.0003868000000000, -0.0003499200000000 ] - [ -0.0001373000000000, -0.0004155500000000, 0.0001797900000000 ] - [ -0.0000938200000000, 0.0000392000000000, 0.0003480200000000 ] - [ 0.0005492500000000, -0.0010207000000000, -0.0003273900000000 ] - [ 0.0001063000000000, 0.0001464500000000, 0.0002812900000000 ] - [ 0.0002345700000000, -0.0001451500000000, 0.0000803700000000 ] - [ 0.0002872400000000, 0.0009027400000000, -0.0005638600000000 ] - [ 0.0001183700000000, -0.0004721800000000, -0.0003537300000000 ] - [ 0.0009553700000000, 0.0003644100000000, 0.0005490900000000 ] - [ -0.0000521800000000, -0.0000647000000000, -0.0000112500000000 ] - [ 0.0002094600000000, 0.0001852000000000, -0.0002775000000000 ] - [ -0.0188592000000000, 0.0026469000000000, -0.0071763400000000 ] - [ 0.0001168200000000, 0.0000308000000000, 0.0000891400000000 ] - [ -0.0025692600000000, -0.0117288300000000, 0.0036555000000000 ] - [ -0.0000715200000000, 0.0000133600000000, -0.0000523900000000 ] - [ 0.0015500800000000, 0.0099802600000000, 0.0035919900000000 ] - [ -0.0000176200000000, 0.0000269500000000, -0.0000442900000000 ] - [ -0.0007160800000000, -0.0007552400000000, -0.0015716300000000 ] - [ 0.0001190800000000, -0.0001929200000000, -0.0001175400000000 ] - [ -0.0019842700000000, -0.0008599700000000, 0.0031123300000000 ] - [ -0.0001289900000000, 0.0000359700000000, 0.0000507600000000 ] - [ -0.0015479000000000, 0.0004234400000000, -0.0015419600000000 ] - [ 0.0000702500000000, 0.0002752900000000, 0.0000779800000000 ] - [ -0.0005776500000000, -0.0000152300000000, -0.0000030000000000 ] - [ 0.0077734900000000, -0.0000938300000000, 0.0000978000000000 ] - [ -0.0002911400000000, 0.0003301500000000, -0.0001704100000000 ] - [ -0.0001427200000000, -0.0002156800000000, -0.0001642000000000 ] - [ -0.0001880700000000, 0.0004916300000000, 0.0001707500000000 ] - [ 0.0000254700000000, -0.0000670300000000, 0.0001636400000000 ] - [ 0.0001494500000000, -0.0000235400000000, -0.0001555700000000 ] - [ -0.0011590500000000, -0.0002188800000000, -0.0004456000000000 ] - [ 0.0000866600000000, -0.0000307500000000, 0.0002434000000000 ] - [ -0.0020399300000000, -0.0000425500000000, 0.0009214900000000 ] - [ 0.0001659900000000, -0.0000670100000000, -0.0000882600000000 ] - [ -0.0013752800000000, 0.0005109100000000, -0.0004562300000000 ] - [ 0.0007598600000000, -0.0068240900000000, 0.0031168600000000 ] - [ -0.0000021200000000, -0.0000100200000000, -0.0000232400000000 ] - [ -0.0107277200000000, -0.0000707100000000, -0.0063701300000000 ] - [ 0.0000133700000000, 0.0000023700000000, 0.0000926600000000 ] - [ 0.0008899100000000, 0.0064545800000000, 0.0032058700000000 ] - [ 0.0000087400000000, -0.0000047700000000, -0.0000670800000000 ] - [ -0.0001596900000000, -0.0003833800000000, 0.0000328900000000 ] - [ -0.0001707200000000, 0.0000284900000000, 0.0000326900000000 ] - [ -0.0003148600000000, 0.0000114900000000, -0.0000357200000000 ] - [ -0.0008808100000000, 0.0001185100000000, -0.0000310300000000 ] - [ 0.0001310400000000, 0.0001694000000000, 0.0000407200000000 ] - [ 0.0000543800000000, 0.0000145500000000, 0.0000373600000000 ] - [ -0.0004064200000000, -0.0005556500000000, -0.0000415400000000 ] - [ -0.0002209300000000, 0.0001331800000000, -0.0000381400000000 ] - [ 0.3538014700000000, -0.0002740100000000, -0.0003457900000000 ] - [ -0.0000544900000000, 0.0000007200000000, -0.0000247900000000 ] - [ 0.0151329500000000, -0.0010704800000000, 0.0003393300000000 ] - [ 0.0001140600000000, 0.0000008200000000, 0.0000250500000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0154326800000000, 0.0263462900000000, 0.0532637900000000 ] - [ 0.0000672300000000, 0.0000376000000000, -0.0011065700000000 ] - [ -0.0305329000000000, 0.0001919500000000, 0.0532637900000000 ] - [ -0.0000661800000000, 0.0000394200000000, -0.0011065700000000 ] - [ 0.0151002100000000, -0.0265382400000000, 0.0532637900000000 ] - [ -0.0000010500000000, -0.0000770200000000, -0.0011065700000000 ] - [ 0.0016775100000000, -0.0017640600000000, 0.0022912400000000 ] - [ -0.0002074300000000, 0.0002890300000000, -0.0010162900000000 ] - [ -0.0023664800000000, -0.0005707400000000, 0.0022912400000000 ] - [ 0.0003540300000000, 0.0000351300000000, -0.0010162900000000 ] - [ 0.0006889600000000, 0.0023348000000000, 0.0022912400000000 ] - [ -0.0001465900000000, -0.0003241600000000, -0.0010162900000000 ] - [ 0.0000840100000000, -0.0005729000000000, 0.0023585100000000 ] - [ 0.0001572500000000, -0.0002206000000000, -0.0009759000000000 ] - [ 0.0004541400000000, 0.0003592100000000, 0.0023585100000000 ] - [ 0.0001124200000000, 0.0002464800000000, -0.0009759000000000 ] - [ -0.0005381600000000, 0.0002136900000000, 0.0023585100000000 ] - [ -0.0002696700000000, -0.0000258800000000, -0.0009759000000000 ] - [ -0.0004789500000000, -0.0005496400000000, 0.0003414500000000 ] - [ 0.0001749700000000, 0.0001470800000000, -0.0008770700000000 ] - [ -0.0002365300000000, 0.0006896000000000, 0.0003414500000000 ] - [ 0.0000398900000000, -0.0002250700000000, -0.0008770700000000 ] - [ 0.0007154700000000, -0.0001399600000000, 0.0003414500000000 ] - [ -0.0002148600000000, 0.0000779900000000, -0.0008770700000000 ] - [ -0.0025215200000000, -0.0000747100000000, 0.0016804800000000 ] - [ 0.0000390300000000, 0.0000215200000000, -0.0011421100000000 ] - [ 0.0013254600000000, -0.0021463400000000, 0.0016804800000000 ] - [ -0.0000381500000000, 0.0000230500000000, -0.0011421100000000 ] - [ 0.0011960600000000, 0.0022210500000000, 0.0016804800000000 ] - [ -0.0000008800000000, -0.0000445600000000, -0.0011421100000000 ] - [ -0.0022409600000000, 0.0001365800000000, -0.0049816800000000 ] - [ 0.0005720300000000, -0.0000096800000000, -0.0025923000000000 ] - [ 0.0012387600000000, 0.0018724400000000, -0.0049816800000000 ] - [ -0.0002944000000000, -0.0004905500000000, -0.0025923000000000 ] - [ 0.0010022000000000, -0.0020090200000000, -0.0049816800000000 ] - [ -0.0002776300000000, 0.0005002400000000, -0.0025923000000000 ] - [ 0.0167761700000000, 0.0285742500000000, 0.0542905300000000 ] - [ -0.0001446600000000, -0.0001517300000000, -0.0014203700000000 ] - [ -0.0331341200000000, 0.0002414600000000, 0.0542905300000000 ] - [ 0.0002037300000000, -0.0000494200000000, -0.0014203700000000 ] - [ 0.0163579400000000, -0.0288157200000000, 0.0542905300000000 ] - [ -0.0000590700000000, 0.0002011500000000, -0.0014203700000000 ] - [ -0.0006812300000000, -0.0003817700000000, -0.0003574500000000 ] - [ 0.0001701800000000, 0.0003180600000000, -0.0008333000000000 ] - [ 0.0000099900000000, 0.0007808500000000, -0.0003574500000000 ] - [ 0.0001903600000000, -0.0003064100000000, -0.0008333000000000 ] - [ 0.0006712400000000, -0.0003990800000000, -0.0003574500000000 ] - [ -0.0003605400000000, -0.0000116500000000, -0.0008333000000000 ] - [ -0.0008560200000000, -0.0001124000000000, -0.0008608700000000 ] - [ 0.0000705900000000, 0.0001252500000000, -0.0004579600000000 ] - [ 0.0005253500000000, -0.0006851400000000, -0.0008608700000000 ] - [ -0.0001437600000000, -0.0000014900000000, -0.0004579600000000 ] - [ 0.0003306700000000, 0.0007975400000000, -0.0008608700000000 ] - [ 0.0000731700000000, -0.0001237600000000, -0.0004579600000000 ] - [ 0.0066810800000000, -0.0002149500000000, -0.0069353500000000 ] - [ 0.0000944600000000, -0.0001165400000000, 0.0012738600000000 ] - [ -0.0035266900000000, -0.0056785100000000, -0.0069353500000000 ] - [ -0.0001481600000000, -0.0000235400000000, 0.0012738600000000 ] - [ -0.0031543900000000, 0.0058934600000000, -0.0069353500000000 ] - [ 0.0000537000000000, 0.0001400800000000, 0.0012738600000000 ] - [ 0.0014394400000000, 0.0033761800000000, 0.0019863900000000 ] - [ -0.0002667500000000, -0.0002265100000000, 0.0010896200000000 ] - [ -0.0036435800000000, -0.0004415000000000, 0.0019863900000000 ] - [ 0.0003295400000000, -0.0001177600000000, 0.0010896200000000 ] - [ 0.0022041400000000, -0.0029346900000000, 0.0019863900000000 ] - [ -0.0000627900000000, 0.0003442700000000, 0.0010896200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041905000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0414027200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009107900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023004700000000 ] - [ -0.0001875900000000, -0.0006910500000000, 0.0012747200000000 ] - [ 0.0013798800000000, 0.0022405800000000, 0.0033075500000000 ] - [ 0.0006922600000000, 0.0001830700000000, 0.0012747200000000 ] - [ -0.0026303300000000, 0.0000747200000000, 0.0033075500000000 ] - [ -0.0005046700000000, 0.0005079800000000, 0.0012747200000000 ] - [ 0.0012504600000000, -0.0023153000000000, 0.0033075500000000 ] - [ -0.0028745700000000, -0.0057029600000000, -0.0048186800000000 ] - [ -0.0001793500000000, 0.0002115000000000, 0.0010936600000000 ] - [ 0.0063761900000000, 0.0003620300000000, -0.0048186800000000 ] - [ -0.0000934900000000, -0.0002610800000000, 0.0010936600000000 ] - [ -0.0035016200000000, 0.0053409300000000, -0.0048186800000000 ] - [ 0.0002728400000000, 0.0000495800000000, 0.0010936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004078500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012953600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000811700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0052295500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013080900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4616038500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013491200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1244749800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023413200000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0167351400000000, -0.0286303500000000, -0.0555317700000000 ] - [ -0.0000417500000000, 0.0000066300000000, 0.0011095400000000 ] - [ 0.0331621800000000, -0.0001778800000000, -0.0555317700000000 ] - [ 0.0000151300000000, -0.0000394700000000, 0.0011095400000000 ] - [ -0.0164270400000000, 0.0288082300000000, -0.0555317700000000 ] - [ 0.0000266200000000, 0.0000328400000000, 0.0011095400000000 ] - [ -0.0017197200000000, 0.0017623400000000, -0.0023794800000000 ] - [ 0.0001687100000000, -0.0002967500000000, 0.0009216200000000 ] - [ 0.0023860900000000, 0.0006081500000000, -0.0023794800000000 ] - [ -0.0003413500000000, 0.0000022700000000, 0.0009216200000000 ] - [ -0.0006663700000000, -0.0023704900000000, -0.0023794800000000 ] - [ 0.0001726400000000, 0.0002944800000000, 0.0009216200000000 ] - [ -0.0000621200000000, 0.0006157600000000, -0.0022585700000000 ] - [ -0.0001335700000000, 0.0002534800000000, 0.0010766700000000 ] - [ -0.0005022100000000, -0.0003616800000000, -0.0022585700000000 ] - [ -0.0001527400000000, -0.0002424200000000, 0.0010766700000000 ] - [ 0.0005643200000000, -0.0002540900000000, -0.0022585700000000 ] - [ 0.0002863100000000, -0.0000110600000000, 0.0010766700000000 ] - [ 0.0004377900000000, 0.0004608600000000, -0.0001851800000000 ] - [ -0.0002180500000000, -0.0002414200000000, 0.0010326300000000 ] - [ 0.0001802200000000, -0.0006095700000000, -0.0001851800000000 ] - [ -0.0001000500000000, 0.0003095500000000, 0.0010326300000000 ] - [ -0.0006180200000000, 0.0001487100000000, -0.0001851800000000 ] - [ 0.0003181000000000, -0.0000681300000000, 0.0010326300000000 ] - [ 0.0026099000000000, 0.0000627600000000, -0.0018414200000000 ] - [ 0.0000557900000000, -0.0000331700000000, 0.0009952000000000 ] - [ -0.0013593000000000, 0.0022288600000000, -0.0018414200000000 ] - [ 0.0000008300000000, 0.0000649000000000, 0.0009952000000000 ] - [ -0.0012506000000000, -0.0022916200000000, -0.0018414200000000 ] - [ -0.0000566200000000, -0.0000317300000000, 0.0009952000000000 ] - [ 0.0021856100000000, -0.0001045600000000, 0.0049455700000000 ] - [ -0.0006008800000000, 0.0000436500000000, 0.0024841600000000 ] - [ -0.0011833500000000, -0.0018405200000000, 0.0049455700000000 ] - [ 0.0003382400000000, 0.0004985600000000, 0.0024841600000000 ] - [ -0.0010022600000000, 0.0019450800000000, 0.0049455700000000 ] - [ 0.0002626400000000, -0.0005422000000000, 0.0024841600000000 ] - [ -0.0158424000000000, -0.0270181200000000, -0.0537421500000000 ] - [ 0.0001337800000000, 0.0002010000000000, 0.0015174600000000 ] - [ 0.0313195700000000, -0.0002108600000000, -0.0537421500000000 ] - [ -0.0002409600000000, 0.0000153600000000, 0.0015174600000000 ] - [ -0.0154771800000000, 0.0272289800000000, -0.0537421500000000 ] - [ 0.0001071800000000, -0.0002163600000000, 0.0015174600000000 ] - [ 0.0007401600000000, 0.0004534800000000, 0.0005402200000000 ] - [ -0.0001065400000000, -0.0002399700000000, 0.0010244100000000 ] - [ 0.0000226500000000, -0.0008677400000000, 0.0005402200000000 ] - [ -0.0001545500000000, 0.0002122600000000, 0.0010244100000000 ] - [ -0.0007628100000000, 0.0004142600000000, 0.0005402200000000 ] - [ 0.0002610900000000, 0.0000277100000000, 0.0010244100000000 ] - [ 0.0007574400000000, 0.0000964700000000, 0.0006737400000000 ] - [ -0.0001719100000000, -0.0001377900000000, 0.0002570200000000 ] - [ -0.0004622700000000, 0.0006077300000000, 0.0006737400000000 ] - [ 0.0002052900000000, -0.0000799800000000, 0.0002570200000000 ] - [ -0.0002951800000000, -0.0007042000000000, 0.0006737400000000 ] - [ -0.0000333800000000, 0.0002177700000000, 0.0002570200000000 ] - [ -0.0064665900000000, 0.0001853300000000, 0.0069348500000000 ] - [ 0.0000181800000000, 0.0000940300000000, -0.0012839300000000 ] - [ 0.0033938000000000, 0.0055075600000000, 0.0069348500000000 ] - [ 0.0000723400000000, -0.0000627600000000, -0.0012839300000000 ] - [ 0.0030727900000000, -0.0056928900000000, 0.0069348500000000 ] - [ -0.0000905200000000, -0.0000312700000000, -0.0012839300000000 ] - [ -0.0014831200000000, -0.0034868500000000, -0.0019861400000000 ] - [ 0.0002306700000000, 0.0001145700000000, -0.0010848700000000 ] - [ 0.0037612600000000, 0.0004590000000000, -0.0019861400000000 ] - [ -0.0002145500000000, 0.0001424800000000, -0.0010848700000000 ] - [ -0.0022781400000000, 0.0030278500000000, -0.0019861400000000 ] - [ -0.0000161200000000, -0.0002570500000000, -0.0010848700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041908300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0404512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005729800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018779000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031028100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019816900000000 ] - [ 0.0002236900000000, 0.0007556000000000, -0.0012804900000000 ] - [ -0.0013296700000000, -0.0021571100000000, -0.0032697500000000 ] - [ -0.0007662200000000, -0.0001840700000000, -0.0012804900000000 ] - [ 0.0025329500000000, -0.0000729700000000, -0.0032697500000000 ] - [ 0.0005425200000000, -0.0005715300000000, -0.0012804900000000 ] - [ -0.0012032800000000, 0.0022300900000000, -0.0032697500000000 ] - [ 0.0028868500000000, 0.0057192400000000, 0.0048191000000000 ] - [ 0.0001745600000000, -0.0002225300000000, -0.0010960700000000 ] - [ -0.0063964300000000, -0.0003595300000000, 0.0048191000000000 ] - [ 0.0001054300000000, 0.0002624400000000, -0.0010960700000000 ] - [ 0.0035095800000000, -0.0053597000000000, 0.0048191000000000 ] - [ -0.0002800000000000, -0.0000399100000000, -0.0010960700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003277100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012386700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000110600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007715100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0053054100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012358000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004301700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013506100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4687596600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014059700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1273972500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022697100000000 ]