# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/93ea3d69-5f8d-4263-988a-6f401109d1fa/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 MgTe(H4O3)3 / R3 (146) / materials id 23888](https://mdr.nims.go.jp/datasets/aaf85f19-732b-432e-b16d-c90e9fce13ee) ## 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: "R3" number: 146 Hall_symbol: "R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.467251766666671, 2.579169009999997, 2.842919429999997 ] # a - [ -4.467251763333329, 2.579169009999997, 2.842919429999997 ] # b - [ -0.000000003333329, -5.158338020000002, 2.842919429999997 ] # c points: - symbol: H # 1 coordinates: [ 0.183365740000000, 0.822920520000002, 0.609286250000000 ] mass: 1.007940 - symbol: H # 2 coordinates: [ 0.609286250000000, 0.183365730000002, 0.822920530000000 ] mass: 1.007940 - symbol: H # 3 coordinates: [ 0.822920530000000, 0.609286240000002, 0.183365740000000 ] mass: 1.007940 - symbol: H # 4 coordinates: [ 0.911980520000000, 0.716904300000002, 0.568713670000000 ] mass: 1.007940 - symbol: H # 5 coordinates: [ 0.568713670000000, 0.911980510000002, 0.716904310000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.716904310000000, 0.568713660000002, 0.911980520000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.872762090000000, 0.268185830000002, 0.371150390000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.371150390000000, 0.872762100000001, 0.268185820000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.268185820000000, 0.371150400000001, 0.872762090000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.972663560000000, 0.044446520000001, 0.466968590000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.466968590000000, 0.972663550000001, 0.044446530000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.044446530000000, 0.466968580000001, 0.972663560000000 ] mass: 1.007940 - symbol: O # 13 coordinates: [ 0.031161400000000, 0.862380340000001, 0.653766430000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.653766430000000, 0.031161430000002, 0.862380310000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.862380310000000, 0.653766460000001, 0.031161400000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.957683100000000, 0.133191610000001, 0.333756590000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.333756590000000, 0.957683090000001, 0.133191620000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.133191620000000, 0.333756580000001, 0.957683100000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.757891350000000, 0.499621190000002, 0.404485780000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.404485780000000, 0.757891360000001, 0.499621180000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.499621180000000, 0.404485790000002, 0.757891350000000 ] mass: 15.999400 - symbol: Mg # 22 coordinates: [ 0.998357560000000, 0.998357560000003, 0.998357560000000 ] mass: 24.305000 - symbol: Te # 23 coordinates: [ 0.440256720000000, 0.440256720000001, 0.440256720000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.111925637126028, 0.064620296628069, 0.117250362361952 ] # a* - [ -0.111925637126028, 0.064620296772723, 0.117250362361952 ] # b* - [ 0.000000000000000, -0.129240593400792, 0.117250362361952 ] # c*unit_cell: lattice: - [ 8.934503530000001, 0.000000000000000, 0.000000000000000 ] # a - [ -4.467251760000000, 7.737507030000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.528758290000001 ] # c points: - symbol: H # 1 coordinates: [ 0.644841570000000, 0.929237920000000, 0.538524170000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.070762080000000, 0.715603640000000, 0.538524170000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 3 coordinates: [ 0.284396360000000, 0.355158430000000, 0.538524170000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.179447690000000, 0.163819160000000, 0.732532830000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.836180840000000, 0.015628520000000, 0.732532830000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.984371480000000, 0.820552310000000, 0.732532830000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.368729320000000, 0.132882380000000, 0.504032770000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.867117620000000, 0.235846950000000, 0.504032770000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.764153050000000, 0.631270680000000, 0.504032770000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.477970670000000, 0.027724300000000, 0.494692890000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.972275700000000, 0.450246360000000, 0.494692890000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.549753640000000, 0.522029330000000, 0.494692890000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.311508240000000, 0.262571250000000, 0.871857500000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 14 coordinates: [ 0.737428750000000, 0.048936980000000, 0.871857500000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 15 coordinates: [ 0.951063020000000, 0.688491760000000, 0.871857500000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 16 coordinates: [ 0.846114360000000, 0.497152490000000, 0.065866160000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 17 coordinates: [ 0.502847510000000, 0.348961850000000, 0.065866160000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 18 coordinates: [ 0.651038150000000, 0.153885640000000, 0.065866160000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 19 coordinates: [ 0.035395990000000, 0.466215710000000, 0.837366100000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 20 coordinates: [ 0.533784290000000, 0.569180280000000, 0.837366100000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 21 coordinates: [ 0.430819720000000, 0.964604010000000, 0.837366100000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 22 coordinates: [ 0.144637340000000, 0.361057640000000, 0.828026220000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 23 coordinates: [ 0.638942360000000, 0.783579690000000, 0.828026220000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 24 coordinates: [ 0.216420310000000, 0.855362660000000, 0.828026220000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 25 coordinates: [ 0.978174910000000, 0.595904590000000, 0.205190830000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 26 coordinates: [ 0.404095410000000, 0.382270310000000, 0.205190830000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 27 coordinates: [ 0.617729690000000, 0.021825090000000, 0.205190830000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 28 coordinates: [ 0.512781020000000, 0.830485830000000, 0.399199490000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 29 coordinates: [ 0.169514170000000, 0.682295180000000, 0.399199490000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 30 coordinates: [ 0.317704820000000, 0.487218980000000, 0.399199490000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 31 coordinates: [ 0.702062660000000, 0.799549040000000, 0.170699440000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 32 coordinates: [ 0.200450960000000, 0.902513610000000, 0.170699440000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 33 coordinates: [ 0.097486390000000, 0.297937340000000, 0.170699440000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 34 coordinates: [ 0.811304010000000, 0.694390970000000, 0.161359560000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 35 coordinates: [ 0.305609030000000, 0.116913030000000, 0.161359560000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 36 coordinates: [ 0.883086970000000, 0.188695990000000, 0.161359560000000 ] mass: 1.007940 reduced_to: 12 - symbol: O # 37 coordinates: [ 0.515392010000000, 0.862002960000000, 0.515769390000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.137997040000000, 0.653389080000000, 0.515769390000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.346610920000000, 0.484607990000000, 0.515769390000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.482806000000000, 0.141120510000000, 0.474877100000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.858879490000000, 0.341685480000000, 0.474877100000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.658314520000000, 0.517194000000000, 0.474877100000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.203891910000000, 0.149513660000000, 0.553999440000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.850486340000000, 0.054378260000000, 0.553999440000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.945621740000000, 0.796108090000000, 0.553999440000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.182058680000000, 0.195336290000000, 0.849102730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 47 coordinates: [ 0.804663710000000, 0.986722410000000, 0.849102730000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 48 coordinates: [ 0.013277590000000, 0.817941320000000, 0.849102730000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 49 coordinates: [ 0.149472670000000, 0.474453850000000, 0.808210430000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 50 coordinates: [ 0.525546150000000, 0.675018810000000, 0.808210430000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 51 coordinates: [ 0.324981190000000, 0.850527330000000, 0.808210430000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 52 coordinates: [ 0.870558580000000, 0.482846990000000, 0.887332770000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 53 coordinates: [ 0.517153010000000, 0.387711600000000, 0.887332770000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 54 coordinates: [ 0.612288400000000, 0.129441420000000, 0.887332770000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 55 coordinates: [ 0.848725350000000, 0.528669630000000, 0.182436060000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 56 coordinates: [ 0.471330370000000, 0.320055740000000, 0.182436060000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 57 coordinates: [ 0.679944260000000, 0.151274650000000, 0.182436060000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 58 coordinates: [ 0.816139330000000, 0.807787180000000, 0.141543770000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 59 coordinates: [ 0.192212820000000, 0.008352140000000, 0.141543770000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 60 coordinates: [ 0.991647860000000, 0.183860670000000, 0.141543770000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 61 coordinates: [ 0.537225240000000, 0.816180320000000, 0.220666100000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 62 coordinates: [ 0.183819680000000, 0.721044930000000, 0.220666100000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 63 coordinates: [ 0.278955070000000, 0.462774760000000, 0.220666100000000 ] mass: 15.999400 reduced_to: 45 - symbol: Mg # 64 coordinates: [ 0.000000000000000, 0.000000000000000, 0.998357560000000 ] mass: 24.305000 reduced_to: 64 - symbol: Mg # 65 coordinates: [ 0.666666670000000, 0.333333330000000, 0.331690900000000 ] mass: 24.305000 reduced_to: 64 - symbol: Mg # 66 coordinates: [ 0.333333330000000, 0.666666670000000, 0.665024230000000 ] mass: 24.305000 reduced_to: 64 - symbol: Te # 67 coordinates: [ 0.000000000000000, 0.000000000000000, 0.440256720000000 ] mass: 127.600000 reduced_to: 67 - symbol: Te # 68 coordinates: [ 0.666666670000000, 0.333333330000000, 0.773590050000000 ] mass: 127.600000 reduced_to: 67 - symbol: Te # 69 coordinates: [ 0.333333330000000, 0.666666670000000, 0.106923390000000 ] mass: 127.600000 reduced_to: 67supercell: lattice: - [ 8.934503530000001, 0.000000000000000, 0.000000000000000 ] # a - [ -4.467251760000000, 7.737507030000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.057516580000001 ] # c points: - symbol: H # 1 coordinates: [ 0.644841570000000, 0.929237920000000, 0.269262085000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.644841570000000, 0.929237920000000, 0.769262085000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 3 coordinates: [ 0.070762080000000, 0.715603640000000, 0.269262085000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.070762080000000, 0.715603640000000, 0.769262085000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 5 coordinates: [ 0.284396360000000, 0.355158430000000, 0.269262085000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.284396360000000, 0.355158430000000, 0.769262085000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 7 coordinates: [ 0.179447690000000, 0.163819160000000, 0.366266415000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.179447690000000, 0.163819160000000, 0.866266415000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 9 coordinates: [ 0.836180840000000, 0.015628520000000, 0.366266415000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.836180840000000, 0.015628520000000, 0.866266415000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 11 coordinates: [ 0.984371480000000, 0.820552310000000, 0.366266415000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.984371480000000, 0.820552310000000, 0.866266415000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 13 coordinates: [ 0.368729320000000, 0.132882380000000, 0.252016385000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.368729320000000, 0.132882380000000, 0.752016385000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 15 coordinates: [ 0.867117620000000, 0.235846950000000, 0.252016385000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.867117620000000, 0.235846950000000, 0.752016385000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 17 coordinates: [ 0.764153050000000, 0.631270680000000, 0.252016385000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.764153050000000, 0.631270680000000, 0.752016385000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.477970670000000, 0.027724300000000, 0.247346445000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.477970670000000, 0.027724300000000, 0.747346445000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.972275700000000, 0.450246360000000, 0.247346445000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.972275700000000, 0.450246360000000, 0.747346445000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 23 coordinates: [ 0.549753640000000, 0.522029330000000, 0.247346445000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.549753640000000, 0.522029330000000, 0.747346445000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 25 coordinates: [ 0.311508240000000, 0.262571250000000, 0.435928750000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 26 coordinates: [ 0.311508240000000, 0.262571250000000, 0.935928750000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 27 coordinates: [ 0.737428750000000, 0.048936980000000, 0.435928750000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 28 coordinates: [ 0.737428750000000, 0.048936980000000, 0.935928750000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 29 coordinates: [ 0.951063020000000, 0.688491760000000, 0.435928750000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 30 coordinates: [ 0.951063020000000, 0.688491760000000, 0.935928750000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 31 coordinates: [ 0.846114360000000, 0.497152490000000, 0.032933080000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 32 coordinates: [ 0.846114360000000, 0.497152490000000, 0.532933080000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 33 coordinates: [ 0.502847510000000, 0.348961850000000, 0.032933080000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 34 coordinates: [ 0.502847510000000, 0.348961850000000, 0.532933080000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 35 coordinates: [ 0.651038150000000, 0.153885640000000, 0.032933080000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 36 coordinates: [ 0.651038150000000, 0.153885640000000, 0.532933080000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 37 coordinates: [ 0.035395990000000, 0.466215710000000, 0.418683050000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 38 coordinates: [ 0.035395990000000, 0.466215710000000, 0.918683050000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 39 coordinates: [ 0.533784290000000, 0.569180280000000, 0.418683050000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 40 coordinates: [ 0.533784290000000, 0.569180280000000, 0.918683050000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 41 coordinates: [ 0.430819720000000, 0.964604010000000, 0.418683050000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 42 coordinates: [ 0.430819720000000, 0.964604010000000, 0.918683050000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 43 coordinates: [ 0.144637340000000, 0.361057640000000, 0.414013110000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 44 coordinates: [ 0.144637340000000, 0.361057640000000, 0.914013110000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 45 coordinates: [ 0.638942360000000, 0.783579690000000, 0.414013110000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 46 coordinates: [ 0.638942360000000, 0.783579690000000, 0.914013110000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 47 coordinates: [ 0.216420310000000, 0.855362660000000, 0.414013110000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 48 coordinates: [ 0.216420310000000, 0.855362660000000, 0.914013110000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 49 coordinates: [ 0.978174910000000, 0.595904590000000, 0.102595415000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 50 coordinates: [ 0.978174910000000, 0.595904590000000, 0.602595415000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 51 coordinates: [ 0.404095410000000, 0.382270310000000, 0.102595415000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 52 coordinates: [ 0.404095410000000, 0.382270310000000, 0.602595415000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 53 coordinates: [ 0.617729690000000, 0.021825090000000, 0.102595415000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 54 coordinates: [ 0.617729690000000, 0.021825090000000, 0.602595415000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 55 coordinates: [ 0.512781020000000, 0.830485830000000, 0.199599745000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 56 coordinates: [ 0.512781020000000, 0.830485830000000, 0.699599745000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 57 coordinates: [ 0.169514170000000, 0.682295180000000, 0.199599745000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 58 coordinates: [ 0.169514170000000, 0.682295180000000, 0.699599745000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 59 coordinates: [ 0.317704820000000, 0.487218980000000, 0.199599745000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 60 coordinates: [ 0.317704820000000, 0.487218980000000, 0.699599745000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 61 coordinates: [ 0.702062660000000, 0.799549040000000, 0.085349720000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 62 coordinates: [ 0.702062660000000, 0.799549040000000, 0.585349720000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 63 coordinates: [ 0.200450960000000, 0.902513610000000, 0.085349720000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 64 coordinates: [ 0.200450960000000, 0.902513610000000, 0.585349720000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 65 coordinates: [ 0.097486390000000, 0.297937340000000, 0.085349720000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 66 coordinates: [ 0.097486390000000, 0.297937340000000, 0.585349720000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 67 coordinates: [ 0.811304010000000, 0.694390970000000, 0.080679780000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 68 coordinates: [ 0.811304010000000, 0.694390970000000, 0.580679780000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 69 coordinates: [ 0.305609030000000, 0.116913030000000, 0.080679780000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 70 coordinates: [ 0.305609030000000, 0.116913030000000, 0.580679780000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 71 coordinates: [ 0.883086970000000, 0.188695990000000, 0.080679780000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 72 coordinates: [ 0.883086970000000, 0.188695990000000, 0.580679780000000 ] mass: 1.007940 reduced_to: 23 - symbol: O # 73 coordinates: [ 0.515392010000000, 0.862002960000000, 0.257884695000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.515392010000000, 0.862002960000000, 0.757884695000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.137997040000000, 0.653389080000000, 0.257884695000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.137997040000000, 0.653389080000000, 0.757884695000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.346610920000000, 0.484607990000000, 0.257884695000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.346610920000000, 0.484607990000000, 0.757884695000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.482806000000000, 0.141120510000000, 0.237438550000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.482806000000000, 0.141120510000000, 0.737438550000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.858879490000000, 0.341685480000000, 0.237438550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.858879490000000, 0.341685480000000, 0.737438550000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.658314520000000, 0.517194000000000, 0.237438550000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.658314520000000, 0.517194000000000, 0.737438550000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.203891910000000, 0.149513660000000, 0.276999720000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.203891910000000, 0.149513660000000, 0.776999720000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.850486340000000, 0.054378260000000, 0.276999720000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.850486340000000, 0.054378260000000, 0.776999720000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.945621740000000, 0.796108090000000, 0.276999720000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.945621740000000, 0.796108090000000, 0.776999720000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.182058680000000, 0.195336290000000, 0.424551365000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 92 coordinates: [ 0.182058680000000, 0.195336290000000, 0.924551365000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 93 coordinates: [ 0.804663710000000, 0.986722410000000, 0.424551365000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 94 coordinates: [ 0.804663710000000, 0.986722410000000, 0.924551365000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 95 coordinates: [ 0.013277590000000, 0.817941320000000, 0.424551365000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 96 coordinates: [ 0.013277590000000, 0.817941320000000, 0.924551365000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 97 coordinates: [ 0.149472670000000, 0.474453850000000, 0.404105215000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 98 coordinates: [ 0.149472670000000, 0.474453850000000, 0.904105215000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 99 coordinates: [ 0.525546150000000, 0.675018810000000, 0.404105215000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 100 coordinates: [ 0.525546150000000, 0.675018810000000, 0.904105215000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 101 coordinates: [ 0.324981190000000, 0.850527330000000, 0.404105215000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 102 coordinates: [ 0.324981190000000, 0.850527330000000, 0.904105215000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 103 coordinates: [ 0.870558580000000, 0.482846990000000, 0.443666385000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 104 coordinates: [ 0.870558580000000, 0.482846990000000, 0.943666385000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 105 coordinates: [ 0.517153010000000, 0.387711600000000, 0.443666385000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 106 coordinates: [ 0.517153010000000, 0.387711600000000, 0.943666385000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 107 coordinates: [ 0.612288400000000, 0.129441420000000, 0.443666385000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 108 coordinates: [ 0.612288400000000, 0.129441420000000, 0.943666385000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 109 coordinates: [ 0.848725350000000, 0.528669630000000, 0.091218030000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 110 coordinates: [ 0.848725350000000, 0.528669630000000, 0.591218030000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 111 coordinates: [ 0.471330370000000, 0.320055740000000, 0.091218030000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 112 coordinates: [ 0.471330370000000, 0.320055740000000, 0.591218030000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 113 coordinates: [ 0.679944260000000, 0.151274650000000, 0.091218030000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 114 coordinates: [ 0.679944260000000, 0.151274650000000, 0.591218030000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 115 coordinates: [ 0.816139330000000, 0.807787180000000, 0.070771885000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 116 coordinates: [ 0.816139330000000, 0.807787180000000, 0.570771885000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 117 coordinates: [ 0.192212820000000, 0.008352140000000, 0.070771885000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 118 coordinates: [ 0.192212820000000, 0.008352140000000, 0.570771885000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 119 coordinates: [ 0.991647860000000, 0.183860670000000, 0.070771885000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 120 coordinates: [ 0.991647860000000, 0.183860670000000, 0.570771885000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 121 coordinates: [ 0.537225240000000, 0.816180320000000, 0.110333050000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 122 coordinates: [ 0.537225240000000, 0.816180320000000, 0.610333050000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 123 coordinates: [ 0.183819680000000, 0.721044930000000, 0.110333050000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 124 coordinates: [ 0.183819680000000, 0.721044930000000, 0.610333050000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 125 coordinates: [ 0.278955070000000, 0.462774760000000, 0.110333050000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 126 coordinates: [ 0.278955070000000, 0.462774760000000, 0.610333050000000 ] mass: 15.999400 reduced_to: 89 - symbol: Mg # 127 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499178780000000 ] mass: 24.305000 reduced_to: 127 - symbol: Mg # 128 coordinates: [ 0.000000000000000, 0.000000000000000, 0.999178780000000 ] mass: 24.305000 reduced_to: 127 - symbol: Mg # 129 coordinates: [ 0.666666670000000, 0.333333330000000, 0.165845450000000 ] mass: 24.305000 reduced_to: 127 - symbol: Mg # 130 coordinates: [ 0.666666670000000, 0.333333330000000, 0.665845450000000 ] mass: 24.305000 reduced_to: 127 - symbol: Mg # 131 coordinates: [ 0.333333330000000, 0.666666670000000, 0.332512115000000 ] mass: 24.305000 reduced_to: 127 - symbol: Mg # 132 coordinates: [ 0.333333330000000, 0.666666670000000, 0.832512115000000 ] mass: 24.305000 reduced_to: 127 - symbol: Te # 133 coordinates: [ 0.000000000000000, 0.000000000000000, 0.220128360000000 ] mass: 127.600000 reduced_to: 133 - symbol: Te # 134 coordinates: [ 0.000000000000000, 0.000000000000000, 0.720128360000000 ] mass: 127.600000 reduced_to: 133 - symbol: Te # 135 coordinates: [ 0.666666670000000, 0.333333330000000, 0.386795025000000 ] mass: 127.600000 reduced_to: 133 - symbol: Te # 136 coordinates: [ 0.666666670000000, 0.333333330000000, 0.886795025000000 ] mass: 127.600000 reduced_to: 133 - symbol: Te # 137 coordinates: [ 0.333333330000000, 0.666666670000000, 0.053461695000000 ] mass: 127.600000 reduced_to: 133 - symbol: Te # 138 coordinates: [ 0.333333330000000, 0.666666670000000, 0.553461695000000 ] mass: 127.600000 reduced_to: 133displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2021060000000000, -0.0966973100000000, -0.0458533400000000 ] - [ 0.0000168800000000, 0.0001531600000000, 0.0000647300000000 ] - [ 0.0029437200000000, -0.0015639700000000, -0.0003882200000000 ] - [ -0.0001400300000000, -0.0000600800000000, 0.0000587800000000 ] - [ 0.0003410000000000, 0.0030711800000000, -0.0006785600000000 ] - [ 0.0001190000000000, -0.0000816300000000, 0.0000589600000000 ] - [ 0.0002867200000000, 0.0002947100000000, 0.0017022400000000 ] - [ -0.0001221200000000, -0.0001085900000000, -0.0001902500000000 ] - [ -0.0004887300000000, -0.0004517700000000, 0.0082932800000000 ] - [ 0.0001478000000000, -0.0000484400000000, -0.0001390400000000 ] - [ 0.0007455800000000, -0.0000226200000000, 0.0018481000000000 ] - [ -0.0000381100000000, 0.0001573000000000, -0.0001859800000000 ] - [ 0.0049123900000000, 0.0004462300000000, -0.0017409100000000 ] - [ -0.0000335800000000, 0.0001063400000000, -0.0001266800000000 ] - [ -0.0051542200000000, 0.0055107200000000, -0.0016864000000000 ] - [ -0.0000716100000000, -0.0000905100000000, -0.0001198300000000 ] - [ -0.0009264600000000, -0.0020499400000000, -0.0007193200000000 ] - [ 0.0001109900000000, -0.0000232600000000, -0.0001216700000000 ] - [ 0.0107864600000000, -0.0066967900000000, 0.0022522900000000 ] - [ 0.0000255900000000, 0.0002145600000000, -0.0000103100000000 ] - [ 0.0004882000000000, 0.0012667300000000, 0.0000652900000000 ] - [ -0.0001948700000000, -0.0000834300000000, -0.0000042600000000 ] - [ -0.0008378000000000, 0.0000803000000000, -0.0000009000000000 ] - [ 0.0001691200000000, -0.0001288400000000, -0.0000071400000000 ] - [ 0.0007511800000000, 0.0006733800000000, 0.0001877100000000 ] - [ 0.0001067200000000, 0.0002790900000000, 0.0000584700000000 ] - [ -0.0018907700000000, 0.0003711800000000, -0.0000376100000000 ] - [ -0.0003006500000000, -0.0000768500000000, 0.0001133600000000 ] - [ 0.0002298800000000, -0.0007096300000000, 0.0001958200000000 ] - [ 0.0001869900000000, -0.0002219100000000, 0.0000587100000000 ] - [ -0.0000810300000000, -0.0001641100000000, -0.0003571600000000 ] - [ -0.0000765600000000, -0.0001120900000000, -0.0002023300000000 ] - [ 0.0001041900000000, -0.0000189000000000, -0.0001876900000000 ] - [ 0.0001665700000000, -0.0000497500000000, -0.0001898200000000 ] - [ 0.0001532200000000, 0.0001496600000000, 0.0001323800000000 ] - [ -0.0001746700000000, 0.0001963700000000, -0.0004908300000000 ] - [ -0.0001224400000000, 0.0002076100000000, 0.0000243700000000 ] - [ 0.0000786700000000, 0.0001421300000000, -0.0001256900000000 ] - [ -0.0002451400000000, 0.0005057000000000, 0.0000158000000000 ] - [ -0.0001380000000000, -0.0000285400000000, -0.0001286100000000 ] - [ 0.0001714600000000, -0.0006447100000000, -0.0011948400000000 ] - [ 0.0001389700000000, -0.0000558800000000, -0.0001124500000000 ] - [ -0.0001983200000000, 0.0009325300000000, 0.0002428800000000 ] - [ -0.0000705800000000, 0.0004242800000000, -0.0000619700000000 ] - [ -0.0013874600000000, -0.0014751900000000, -0.0001980300000000 ] - [ -0.0003300800000000, -0.0002129000000000, 0.0000090000000000 ] - [ 0.0017002600000000, 0.0000311400000000, 0.0000959000000000 ] - [ 0.0003634600000000, -0.0001675500000000, -0.0000517100000000 ] - [ 0.0007481500000000, 0.0005598700000000, -0.0000469500000000 ] - [ 0.0001026500000000, 0.0001937700000000, 0.0000781600000000 ] - [ -0.0005156200000000, 0.0002818100000000, 0.0000396600000000 ] - [ -0.0002092500000000, -0.0000046800000000, 0.0000889400000000 ] - [ -0.0002918200000000, -0.0012900900000000, 0.0009586600000000 ] - [ 0.0000908400000000, -0.0001396900000000, 0.0000940600000000 ] - [ -0.0043524600000000, 0.0011168800000000, 0.0110718200000000 ] - [ -0.0001143100000000, -0.0000831400000000, -0.0001282600000000 ] - [ 0.0013055200000000, 0.0006163400000000, -0.0001597000000000 ] - [ 0.0001284700000000, -0.0000453200000000, -0.0001578200000000 ] - [ 0.0000026100000000, 0.0011296600000000, -0.0002342800000000 ] - [ -0.0000246500000000, 0.0001263900000000, -0.0001510400000000 ] - [ -0.0021989500000000, -0.0000408800000000, -0.0001514400000000 ] - [ -0.0002371700000000, 0.0000690900000000, -0.0000631700000000 ] - [ 0.0007505800000000, -0.0010722000000000, 0.0000126400000000 ] - [ 0.0000336200000000, -0.0002273600000000, -0.0001351800000000 ] - [ 0.0006975200000000, 0.0010817400000000, -0.0001978000000000 ] - [ 0.0002312200000000, 0.0001906300000000, -0.0000671100000000 ] - [ 0.0001954100000000, -0.0000976300000000, -0.0001793900000000 ] - [ 0.0000810600000000, 0.0001403500000000, -0.0000111000000000 ] - [ 0.0002001100000000, 0.0003945700000000, 0.0000209600000000 ] - [ -0.0001620900000000, -0.0000556300000000, -0.0000042800000000 ] - [ -0.0007186500000000, -0.0001963900000000, -0.0003419500000000 ] - [ 0.0000345200000000, -0.0001238100000000, 0.0000547100000000 ] - [ 0.2046329700000000, 0.1111212500000000, 0.0425685000000000 ] - [ -0.0002616300000000, -0.0001335500000000, 0.0001120800000000 ] - [ -0.0041201000000000, -0.0010280300000000, 0.0006138200000000 ] - [ 0.0002484300000000, -0.0001662600000000, 0.0001309000000000 ] - [ 0.0005973000000000, -0.0041878600000000, 0.0010277100000000 ] - [ 0.0000285900000000, 0.0002937300000000, 0.0001271200000000 ] - [ -0.0070761900000000, 0.0048601200000000, 0.0001417300000000 ] - [ -0.0000561800000000, -0.0000666200000000, 0.0000046100000000 ] - [ 0.0030650400000000, -0.0037106600000000, 0.0011253100000000 ] - [ 0.0000848400000000, -0.0000037500000000, -0.0000056500000000 ] - [ 0.0012103500000000, 0.0015087300000000, 0.0004184000000000 ] - [ -0.0000374800000000, 0.0000845900000000, -0.0000099900000000 ] - [ -0.0081830000000000, -0.0037505300000000, -0.0016326400000000 ] - [ -0.0003239600000000, -0.0002097200000000, -0.0000722800000000 ] - [ -0.0189352000000000, -0.0131155700000000, 0.0068711700000000 ] - [ 0.0003469700000000, -0.0001781700000000, -0.0001044800000000 ] - [ -0.0034426100000000, 0.0047924900000000, -0.0020879000000000 ] - [ -0.0000158500000000, 0.0003874800000000, -0.0000790300000000 ] - [ -0.0007332100000000, -0.0008883700000000, -0.0012298200000000 ] - [ -0.0002654900000000, -0.0002794200000000, 0.0003307500000000 ] - [ 0.0021508000000000, 0.0008982100000000, -0.0041088700000000 ] - [ 0.0004120700000000, -0.0000967300000000, 0.0002377300000000 ] - [ -0.0011648100000000, 0.0006775900000000, -0.0011814700000000 ] - [ -0.0000736500000000, 0.0003780700000000, 0.0003048200000000 ] - [ -0.0000933800000000, -0.0011124800000000, 0.0000405300000000 ] - [ -0.0000990800000000, -0.0003244300000000, -0.0002784200000000 ] - [ 0.0016181900000000, -0.0004863900000000, 0.0015064200000000 ] - [ 0.0002008300000000, 0.0000207900000000, -0.0001497900000000 ] - [ -0.0018602400000000, 0.0000639200000000, 0.0018047000000000 ] - [ -0.0001723400000000, 0.0001612800000000, -0.0001061000000000 ] - [ -0.0000075300000000, 0.0004370600000000, 0.0003007000000000 ] - [ -0.0003400800000000, -0.0000981200000000, 0.0001205400000000 ] - [ -0.0000246900000000, -0.0006859800000000, 0.0000661900000000 ] - [ 0.0002849800000000, -0.0002159100000000, -0.0000013200000000 ] - [ 0.0007583100000000, 0.0010305600000000, 0.0006221800000000 ] - [ -0.0000394500000000, 0.0004369700000000, -0.0002344400000000 ] - [ -0.0006828200000000, -0.0001991900000000, 0.0004612700000000 ] - [ -0.0003358400000000, -0.0000968900000000, 0.0001142900000000 ] - [ 0.0002958300000000, -0.0003950700000000, -0.0000005200000000 ] - [ 0.0002463400000000, -0.0001997000000000, 0.0000944800000000 ] - [ 0.0005228900000000, 0.0011724700000000, -0.0003621700000000 ] - [ 0.0001749200000000, 0.0002824200000000, 0.0002794800000000 ] - [ 0.0013466400000000, 0.0006266600000000, 0.0011115600000000 ] - [ 0.0000162500000000, 0.0001206900000000, -0.0001949400000000 ] - [ -0.0012865500000000, 0.0002083400000000, 0.0013891600000000 ] - [ -0.0001254800000000, 0.0000754400000000, -0.0000842900000000 ] - [ 0.0002665600000000, -0.0007675300000000, 0.0011261700000000 ] - [ -0.0000262300000000, -0.0001415200000000, -0.0002655100000000 ] - [ 0.0009239100000000, -0.0015893500000000, -0.0085024800000000 ] - [ -0.0001421900000000, -0.0001209000000000, -0.0000179500000000 ] - [ -0.0012935700000000, -0.0000055300000000, 0.0000862200000000 ] - [ 0.0001813900000000, -0.0000780400000000, 0.0000563700000000 ] - [ -0.0000278600000000, -0.0012750800000000, 0.0003849600000000 ] - [ -0.0000227800000000, 0.0000781700000000, 0.0000946300000000 ] - [ 0.0004754800000000, -0.0001483100000000, 0.0015415900000000 ] - [ -0.0000878800000000, -0.0000730900000000, -0.0004875800000000 ] - [ -0.0009193700000000, -0.0018573000000000, 0.0003043500000000 ] - [ 0.0000007900000000, -0.0000158900000000, 0.0004606000000000 ] - [ 0.0036358900000000, 0.0068445800000000, -0.0051883700000000 ] - [ 0.0000086000000000, -0.0000253000000000, 0.0008083400000000 ] - [ 0.0210456600000000, -0.0053001400000000, -0.0103385400000000 ] - [ 0.0000018200000000, 0.0000001700000000, 0.0000433000000000 ] - [ -0.0002987600000000, -0.0016253000000000, -0.0008430400000000 ] - [ 0.0000088700000000, -0.0001165400000000, -0.0001326000000000 ] - [ 0.0019210400000000, 0.0023130800000000, 0.0011716700000000 ] - [ -0.0000302000000000, 0.0002009800000000, -0.0008608800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2156266500000000, 0.1084312000000000, 0.0499970500000000 ] - [ 0.0000715900000000, 0.0001997900000000, 0.0000272500000000 ] - [ -0.0032447100000000, 0.0014412600000000, 0.0004701300000000 ] - [ -0.0002225700000000, -0.0000311100000000, 0.0000335200000000 ] - [ -0.0000795200000000, -0.0032639000000000, 0.0007559100000000 ] - [ 0.0001395100000000, -0.0001700900000000, 0.0000316700000000 ] - [ -0.0004887200000000, -0.0004970600000000, -0.0021347800000000 ] - [ -0.0000880500000000, -0.0001012100000000, -0.0002781300000000 ] - [ 0.0007424200000000, 0.0003544100000000, -0.0085968100000000 ] - [ 0.0001361300000000, -0.0000264400000000, -0.0003290000000000 ] - [ -0.0008120300000000, 0.0003047900000000, -0.0022860300000000 ] - [ -0.0000403700000000, 0.0001287800000000, -0.0002838800000000 ] - [ -0.0049782900000000, -0.0002411400000000, 0.0014354900000000 ] - [ -0.0000860500000000, 0.0001053000000000, -0.0001663700000000 ] - [ 0.0049264800000000, -0.0056285100000000, 0.0013582500000000 ] - [ -0.0000459300000000, -0.0001282500000000, -0.0001696400000000 ] - [ 0.0011482100000000, 0.0020190100000000, 0.0004167700000000 ] - [ 0.0001357800000000, 0.0000256900000000, -0.0001696800000000 ] - [ -0.0107653900000000, 0.0070059600000000, -0.0023561300000000 ] - [ 0.0000135200000000, 0.0002356400000000, -0.0000703100000000 ] - [ -0.0008804600000000, -0.0014120400000000, -0.0001421000000000 ] - [ -0.0002142200000000, -0.0001060700000000, -0.0000757200000000 ] - [ 0.0011902400000000, -0.0003249700000000, -0.0000780400000000 ] - [ 0.0002018400000000, -0.0001302800000000, -0.0000730900000000 ] - [ -0.0006485200000000, -0.0003075600000000, -0.0000862000000000 ] - [ -0.0000159900000000, 0.0000788300000000, 0.0000408300000000 ] - [ 0.0015066100000000, -0.0004631900000000, 0.0001331500000000 ] - [ -0.0000630300000000, -0.0000178100000000, -0.0000131000000000 ] - [ 0.0000320300000000, 0.0004468500000000, -0.0000957000000000 ] - [ 0.0000746800000000, -0.0000332700000000, 0.0000396300000000 ] - [ -0.0001362500000000, -0.0000414100000000, -0.0001278500000000 ] - [ -0.0001417000000000, -0.0000917500000000, -0.0002759400000000 ] - [ 0.0001784700000000, -0.0000644400000000, -0.0002951400000000 ] - [ 0.0001165400000000, -0.0000339800000000, -0.0002911700000000 ] - [ -0.0002230300000000, 0.0001411300000000, -0.0006148600000000 ] - [ 0.0001025600000000, 0.0000943200000000, 0.0000060100000000 ] - [ 0.0000005800000000, 0.0000001100000000, -0.0003133100000000 ] - [ -0.0001988100000000, 0.0000645200000000, -0.0001653100000000 ] - [ 0.0001227500000000, -0.0007002500000000, -0.0003035200000000 ] - [ 0.0000219800000000, -0.0001836200000000, -0.0001603200000000 ] - [ 0.0000669200000000, 0.0006377700000000, 0.0008967100000000 ] - [ 0.0001030400000000, 0.0000607600000000, -0.0001774300000000 ] - [ 0.0002384100000000, -0.0004557300000000, -0.0003153800000000 ] - [ 0.0001124100000000, 0.0000433600000000, -0.0000170600000000 ] - [ 0.0009418500000000, 0.0012573200000000, 0.0001001500000000 ] - [ -0.0000955500000000, 0.0000170200000000, -0.0000863700000000 ] - [ -0.0012985000000000, -0.0002969000000000, -0.0001730300000000 ] - [ 0.0000207300000000, -0.0001024000000000, -0.0000267400000000 ] - [ -0.0006508700000000, -0.0002081000000000, 0.0001400700000000 ] - [ -0.0000200200000000, 0.0001493100000000, 0.0000162400000000 ] - [ 0.0001620300000000, -0.0003687500000000, 0.0000539300000000 ] - [ -0.0001385800000000, -0.0000879200000000, 0.0000052900000000 ] - [ 0.0005428500000000, 0.0010229000000000, -0.0008517800000000 ] - [ 0.0001620400000000, -0.0001028000000000, -0.0000003700000000 ] - [ 0.0042312000000000, -0.0012030600000000, -0.0112144100000000 ] - [ -0.0001000500000000, -0.0001265900000000, -0.0003347500000000 ] - [ -0.0009925300000000, -0.0006754400000000, -0.0002912300000000 ] - [ 0.0001571900000000, -0.0000322500000000, -0.0003070900000000 ] - [ -0.0000797400000000, -0.0008243800000000, -0.0002343500000000 ] - [ -0.0000527300000000, 0.0001630400000000, -0.0003162800000000 ] - [ 0.0020216100000000, 0.0002451400000000, -0.0001402800000000 ] - [ 0.0000953500000000, 0.0001361700000000, -0.0002339400000000 ] - [ -0.0008433000000000, 0.0008266800000000, -0.0003053400000000 ] - [ -0.0001405000000000, 0.0000004000000000, -0.0001610100000000 ] - [ -0.0004384100000000, -0.0010422700000000, -0.0001000400000000 ] - [ 0.0000189900000000, -0.0001686100000000, -0.0002285600000000 ] - [ -0.0001544400000000, 0.0005586400000000, 0.0001053500000000 ] - [ -0.0000424100000000, 0.0003252600000000, -0.0000612500000000 ] - [ -0.0006162700000000, -0.0005848000000000, -0.0000935800000000 ] - [ -0.0002596500000000, -0.0001421300000000, -0.0000669900000000 ] - [ 0.0010905900000000, -0.0000711100000000, 0.0002649900000000 ] - [ 0.0003503600000000, -0.0001420100000000, -0.0001254700000000 ] - [ -0.2184152900000000, -0.1223091800000000, -0.0462175000000000 ] - [ -0.0002982500000000, -0.0001668600000000, 0.0003464500000000 ] - [ 0.0045684400000000, 0.0006344700000000, -0.0001529100000000 ] - [ 0.0003088800000000, -0.0001806900000000, 0.0003229300000000 ] - [ -0.0005617300000000, 0.0047504200000000, -0.0005568800000000 ] - [ -0.0000015600000000, 0.0003399400000000, 0.0003305900000000 ] - [ 0.0069613900000000, -0.0049058900000000, 0.0000416800000000 ] - [ -0.0000058400000000, -0.0000717200000000, 0.0001729600000000 ] - [ -0.0028649900000000, 0.0036478400000000, -0.0009220300000000 ] - [ 0.0000604600000000, 0.0000285800000000, 0.0001852400000000 ] - [ -0.0012788600000000, -0.0013789800000000, -0.0002281300000000 ] - [ -0.0000594300000000, 0.0000337200000000, 0.0001921400000000 ] - [ 0.0075007200000000, 0.0033797000000000, 0.0016375700000000 ] - [ -0.0002517900000000, -0.0001087900000000, 0.0001024100000000 ] - [ 0.0189719300000000, 0.0122086400000000, -0.0067573700000000 ] - [ 0.0002197800000000, -0.0001650500000000, 0.0001315900000000 ] - [ 0.0033874300000000, -0.0040452000000000, 0.0020820400000000 ] - [ 0.0000266700000000, 0.0002734300000000, 0.0001070700000000 ] - [ 0.0001747300000000, 0.0006363200000000, 0.0016954200000000 ] - [ -0.0002836300000000, 0.0000391900000000, 0.0001634600000000 ] - [ -0.0016180300000000, -0.0012333100000000, 0.0045157000000000 ] - [ 0.0000839100000000, -0.0002672200000000, 0.0002486000000000 ] - [ 0.0012210500000000, -0.0000779500000000, 0.0016485700000000 ] - [ 0.0001457400000000, 0.0002153600000000, 0.0001847400000000 ] - [ 0.0000510800000000, 0.0009985100000000, 0.0001138100000000 ] - [ 0.0000594200000000, 0.0002257200000000, 0.0004255700000000 ] - [ -0.0014985300000000, 0.0004850100000000, -0.0013042800000000 ] - [ -0.0001009300000000, -0.0000015600000000, 0.0003027500000000 ] - [ 0.0017660900000000, 0.0000198900000000, -0.0016136200000000 ] - [ 0.0001003900000000, -0.0000822600000000, 0.0002613200000000 ] - [ -0.0005282700000000, -0.0007742900000000, -0.0001856600000000 ] - [ -0.0001972500000000, -0.0002438000000000, -0.0000040700000000 ] - [ 0.0005979000000000, 0.0003733000000000, 0.0000427300000000 ] - [ 0.0002859600000000, -0.0000823400000000, 0.0001140900000000 ] - [ -0.0007735400000000, -0.0003856700000000, -0.0005058600000000 ] - [ 0.0000117400000000, 0.0002032500000000, 0.0003466700000000 ] - [ 0.0001554600000000, -0.0000941800000000, -0.0000919300000000 ] - [ -0.0001818100000000, -0.0001919000000000, 0.0002450300000000 ] - [ 0.0002261100000000, 0.0000782100000000, 0.0003577300000000 ] - [ 0.0002751500000000, -0.0001126600000000, 0.0002608500000000 ] - [ -0.0005034200000000, -0.0005645200000000, 0.0007206500000000 ] - [ -0.0001594800000000, 0.0003085600000000, 0.0000803400000000 ] - [ -0.0013681300000000, -0.0007399700000000, -0.0008553000000000 ] - [ -0.0000630500000000, -0.0002446000000000, 0.0004337300000000 ] - [ 0.0013942600000000, -0.0001788800000000, -0.0011180500000000 ] - [ 0.0002550700000000, -0.0000510300000000, 0.0003277000000000 ] - [ -0.0003528100000000, 0.0008561500000000, -0.0008603600000000 ] - [ -0.0000652800000000, 0.0002423500000000, 0.0005073300000000 ] - [ -0.0014470400000000, 0.0012168500000000, 0.0084784600000000 ] - [ -0.0003858500000000, -0.0002247600000000, 0.0001054900000000 ] - [ 0.0018314800000000, -0.0002799200000000, -0.0000070000000000 ] - [ 0.0003810500000000, -0.0002074800000000, 0.0000328800000000 ] - [ -0.0000078700000000, 0.0018797500000000, -0.0002929300000000 ] - [ -0.0000136100000000, 0.0005518600000000, -0.0000069500000000 ] - [ -0.0004676600000000, 0.0001465500000000, -0.0008932200000000 ] - [ 0.0000880700000000, 0.0000721400000000, 0.0011000900000000 ] - [ 0.0008987900000000, 0.0018513900000000, 0.0002872400000000 ] - [ -0.0000068200000000, 0.0000197400000000, 0.0001490300000000 ] - [ -0.0035476300000000, -0.0066929000000000, 0.0060390700000000 ] - [ 0.0000052300000000, 0.0000202400000000, 0.0001983600000000 ] - [ -0.0206146600000000, 0.0051770200000000, 0.0094956700000000 ] - [ -0.0000046800000000, -0.0000017000000000, -0.0006481600000000 ] - [ 0.0002826300000000, 0.0016211100000000, 0.0002272100000000 ] - [ -0.0000142400000000, 0.0001162900000000, -0.0004879100000000 ] - [ -0.0018948700000000, -0.0022744700000000, -0.0017795500000000 ] - [ 0.0000329000000000, -0.0001995300000000, 0.0002131800000000 ]- atom: 1 displacement: [ -0.0049999999944369, 0.0086602540410562, 0.0000000000000000 ] forces: - [ 0.0145095000000000, -0.0329487600000000, -0.0081984800000000 ] - [ 0.0000383600000000, 0.0001681600000000, 0.0000411100000000 ] - [ -0.0001680500000000, 0.0002008700000000, 0.0000916700000000 ] - [ -0.0001692800000000, -0.0000497700000000, 0.0000389700000000 ] - [ -0.0000909000000000, 0.0002796900000000, 0.0000310200000000 ] - [ 0.0001268700000000, -0.0001159200000000, 0.0000403800000000 ] - [ -0.0000743700000000, -0.0000290000000000, 0.0000727200000000 ] - [ -0.0001040200000000, -0.0001107600000000, -0.0002645200000000 ] - [ 0.0001979300000000, -0.0012382100000000, 0.0000069200000000 ] - [ 0.0001442100000000, -0.0000313700000000, -0.0002617200000000 ] - [ -0.0001340600000000, 0.0000960100000000, -0.0002741700000000 ] - [ -0.0000405600000000, 0.0001443800000000, -0.0002547600000000 ] - [ -0.0003323300000000, -0.0001982000000000, 0.0001319500000000 ] - [ -0.0000694200000000, 0.0001049900000000, -0.0001494500000000 ] - [ 0.0021079400000000, 0.0015039300000000, -0.0000520200000000 ] - [ -0.0000533300000000, -0.0001132500000000, -0.0001450000000000 ] - [ -0.0006447200000000, 0.0001765600000000, -0.0001478200000000 ] - [ 0.0001257100000000, 0.0000088100000000, -0.0001502500000000 ] - [ -0.0053889900000000, -0.0045222400000000, -0.0016364900000000 ] - [ 0.0000256100000000, 0.0002093200000000, -0.0000439300000000 ] - [ 0.0001316200000000, 0.0005324200000000, 0.0001494700000000 ] - [ -0.0001942200000000, -0.0000768700000000, -0.0000436500000000 ] - [ 0.0003335800000000, 0.0006809400000000, 0.0000436300000000 ] - [ 0.0001705200000000, -0.0001284700000000, -0.0000444500000000 ] - [ 0.0000266700000000, 0.0002038600000000, 0.0000361600000000 ] - [ 0.0000335900000000, 0.0001808300000000, 0.0000415100000000 ] - [ 0.0002988700000000, -0.0002576200000000, 0.0003369900000000 ] - [ -0.0001532000000000, -0.0000721100000000, 0.0000269900000000 ] - [ 0.0000836100000000, 0.0000305300000000, 0.0000260700000000 ] - [ 0.0001296000000000, -0.0001053200000000, 0.0000517000000000 ] - [ -0.0000999600000000, -0.0000786800000000, -0.0002482400000000 ] - [ -0.0001402500000000, -0.0000685500000000, -0.0001191100000000 ] - [ 0.0001420900000000, -0.0000323200000000, -0.0002807400000000 ] - [ 0.0001437700000000, -0.0000414000000000, -0.0001755300000000 ] - [ -0.0001428500000000, 0.0001391200000000, -0.0006058300000000 ] - [ 0.0000569200000000, 0.0001136900000000, 0.0000595900000000 ] - [ 0.0000838300000000, 0.0000987700000000, -0.0001539100000000 ] - [ -0.0000244900000000, 0.0001096900000000, -0.0001533900000000 ] - [ -0.0005268600000000, 0.0007728600000000, -0.0002515900000000 ] - [ -0.0000763900000000, -0.0000749700000000, -0.0001465500000000 ] - [ -0.0001142800000000, -0.0003174700000000, 0.0000536300000000 ] - [ 0.0000987100000000, -0.0000443700000000, -0.0001557700000000 ] - [ 0.0000111100000000, 0.0003008500000000, -0.0000299000000000 ] - [ 0.0000103800000000, 0.0002564800000000, -0.0000471500000000 ] - [ -0.0004656700000000, -0.0005848000000000, -0.0012138600000000 ] - [ -0.0002178100000000, -0.0001181800000000, -0.0000356600000000 ] - [ 0.0001487600000000, -0.0000957300000000, -0.0000527600000000 ] - [ 0.0001937500000000, -0.0001402700000000, -0.0000436900000000 ] - [ 0.0001185800000000, 0.0002532000000000, 0.0000383800000000 ] - [ 0.0000969200000000, 0.0002129900000000, 0.0000583900000000 ] - [ -0.0002270800000000, 0.0000378200000000, 0.0000905400000000 ] - [ -0.0002291400000000, -0.0000137400000000, 0.0000538600000000 ] - [ 0.0000697200000000, -0.0006548800000000, -0.0003583300000000 ] - [ 0.0001346100000000, -0.0002236200000000, 0.0000512800000000 ] - [ 0.0088910000000000, 0.0038201300000000, 0.0034919900000000 ] - [ -0.0001044400000000, -0.0001172000000000, -0.0002850200000000 ] - [ 0.0001783700000000, 0.0002153400000000, -0.0001604300000000 ] - [ 0.0001413300000000, -0.0000211800000000, -0.0002991200000000 ] - [ 0.0001085700000000, -0.0000290800000000, -0.0001961500000000 ] - [ -0.0000476500000000, 0.0001446500000000, -0.0002778000000000 ] - [ -0.0001387800000000, 0.0000545700000000, 0.0001185400000000 ] - [ -0.0000803200000000, 0.0000899800000000, -0.0001883500000000 ] - [ 0.0000294800000000, -0.0002502400000000, -0.0001174500000000 ] - [ -0.0000349100000000, -0.0001585100000000, -0.0001367400000000 ] - [ 0.0001861900000000, 0.0001265600000000, -0.0001344300000000 ] - [ 0.0001365100000000, 0.0000403200000000, -0.0001363600000000 ] - [ -0.0000594900000000, 0.0002990000000000, 0.0000180700000000 ] - [ -0.0000176200000000, 0.0002755300000000, -0.0000545500000000 ] - [ -0.0002160700000000, -0.0000685500000000, -0.0000784400000000 ] - [ -0.0002259800000000, -0.0001143900000000, -0.0000280800000000 ] - [ 0.0003955700000000, -0.0000956000000000, -0.0001674700000000 ] - [ 0.0002473500000000, -0.0001343500000000, -0.0000418600000000 ] - [ -0.0122036800000000, 0.0204720600000000, 0.0044823500000000 ] - [ -0.0002807000000000, -0.0001308600000000, 0.0002699600000000 ] - [ 0.0002180500000000, -0.0012103000000000, 0.0000971700000000 ] - [ 0.0002672900000000, -0.0001872500000000, 0.0002800800000000 ] - [ -0.0003511200000000, 0.0005484500000000, -0.0000223700000000 ] - [ 0.0000267300000000, 0.0003104500000000, 0.0002619900000000 ] - [ 0.0010927100000000, 0.0024449600000000, -0.0000102400000000 ] - [ -0.0000221300000000, -0.0000545600000000, 0.0000957100000000 ] - [ -0.0008398400000000, -0.0008580500000000, -0.0001990300000000 ] - [ 0.0000538800000000, 0.0000001900000000, 0.0000958200000000 ] - [ 0.0004562100000000, -0.0006653800000000, 0.0001344900000000 ] - [ -0.0000339400000000, 0.0000433200000000, 0.0001101100000000 ] - [ -0.0008806200000000, -0.0005802300000000, 0.0001280700000000 ] - [ -0.0002764400000000, -0.0001567900000000, 0.0000447500000000 ] - [ -0.0062922100000000, 0.0100628600000000, 0.0018466300000000 ] - [ 0.0002760300000000, -0.0001649000000000, 0.0000371700000000 ] - [ 0.0006319800000000, 0.0014753700000000, -0.0004276600000000 ] - [ -0.0000025300000000, 0.0003291400000000, 0.0000323000000000 ] - [ -0.0002323400000000, -0.0001661900000000, 0.0000945700000000 ] - [ -0.0002632900000000, -0.0001270300000000, 0.0002867700000000 ] - [ 0.0002331100000000, 0.0005581000000000, 0.0001450700000000 ] - [ 0.0002298800000000, -0.0001538700000000, 0.0002691800000000 ] - [ 0.0001255600000000, 0.0002358200000000, 0.0002744900000000 ] - [ 0.0000447900000000, 0.0002915200000000, 0.0002562600000000 ] - [ -0.0002123800000000, -0.0001376500000000, 0.0000744300000000 ] - [ -0.0000413600000000, -0.0000830700000000, 0.0000489400000000 ] - [ 0.0000419000000000, -0.0010012500000000, 0.0016948100000000 ] - [ 0.0000703100000000, 0.0000065300000000, 0.0000663200000000 ] - [ -0.0000429600000000, 0.0002711900000000, 0.0002598300000000 ] - [ -0.0000269100000000, 0.0000817900000000, 0.0000831800000000 ] - [ -0.0004218200000000, -0.0003991100000000, -0.0001765900000000 ] - [ -0.0002969200000000, -0.0002079700000000, 0.0000575400000000 ] - [ 0.0008454500000000, -0.0006841100000000, -0.0001948000000000 ] - [ 0.0003116500000000, -0.0001749200000000, 0.0000787300000000 ] - [ 0.0001069700000000, 0.0000234800000000, -0.0004529200000000 ] - [ 0.0000341400000000, 0.0003069300000000, 0.0003082400000000 ] - [ -0.0002444600000000, -0.0003101200000000, 0.0001978300000000 ] - [ -0.0002598400000000, -0.0002107200000000, 0.0000971900000000 ] - [ 0.0003341300000000, -0.0002966300000000, 0.0002124400000000 ] - [ 0.0003003900000000, -0.0001627500000000, 0.0001191400000000 ] - [ 0.0000778800000000, 0.0004066200000000, 0.0008355700000000 ] - [ -0.0000694300000000, 0.0003568200000000, -0.0000245700000000 ] - [ 0.0001445400000000, 0.0000488100000000, 0.0000560400000000 ] - [ 0.0000286100000000, -0.0000563000000000, 0.0001934000000000 ] - [ -0.0000272100000000, 0.0000704600000000, 0.0002865600000000 ] - [ 0.0000661300000000, 0.0000594000000000, 0.0001131300000000 ] - [ -0.0002223600000000, 0.0000012100000000, 0.0001658400000000 ] - [ -0.0000731600000000, 0.0000525000000000, 0.0001376000000000 ] - [ -0.0007649700000000, -0.0003708300000000, -0.0001833600000000 ] - [ -0.0002546100000000, -0.0001040300000000, 0.0001181100000000 ] - [ 0.0001439500000000, -0.0002198000000000, -0.0000271000000000 ] - [ 0.0001439400000000, -0.0001133500000000, 0.0002017500000000 ] - [ -0.0000229800000000, 0.0001902200000000, 0.0000728800000000 ] - [ 0.0000310600000000, 0.0002469700000000, 0.0001112500000000 ] - [ -0.0001043400000000, -0.0000863900000000, 0.0002886100000000 ] - [ -0.0000325100000000, -0.0000956800000000, 0.0002574400000000 ] - [ -0.0006809600000000, 0.0012094400000000, -0.0001388400000000 ] - [ -0.0000160300000000, 0.0000274400000000, 0.0003216800000000 ] - [ 0.0025566300000000, 0.0019609100000000, 0.0006265800000000 ] - [ 0.0000059900000000, -0.0000119300000000, 0.0004857500000000 ] - [ -0.0021117600000000, -0.0030812400000000, -0.0008637200000000 ] - [ 0.0000001100000000, -0.0000140900000000, -0.0003504500000000 ] - [ -0.0007686500000000, 0.0014212200000000, 0.0006021500000000 ] - [ -0.0000206300000000, 0.0000859400000000, -0.0003665900000000 ] - [ 0.0000283700000000, 0.0002677200000000, -0.0004096600000000 ] - [ 0.0001665600000000, 0.0000026400000000, -0.0007285700000000 ]- atom: 1 displacement: [ 0.0049999999944369, -0.0086602540410562, 0.0000000000000000 ] forces: - [ -0.0168396500000000, 0.0315771300000000, 0.0076890200000000 ] - [ 0.0000511700000000, 0.0001856000000000, 0.0000510600000000 ] - [ -0.0001891100000000, -0.0002970400000000, -0.0000002400000000 ] - [ -0.0001947400000000, -0.0000407500000000, 0.0000536700000000 ] - [ 0.0003508200000000, -0.0005429400000000, 0.0000638900000000 ] - [ 0.0001317900000000, -0.0001372100000000, 0.0000505400000000 ] - [ -0.0001366600000000, -0.0001813700000000, -0.0005442800000000 ] - [ -0.0001058300000000, -0.0000989400000000, -0.0002041400000000 ] - [ 0.0000665200000000, 0.0011547700000000, -0.0005002600000000 ] - [ 0.0001396100000000, -0.0000432700000000, -0.0002073400000000 ] - [ 0.0000556000000000, 0.0001898400000000, -0.0001979900000000 ] - [ -0.0000380600000000, 0.0001414300000000, -0.0002156200000000 ] - [ 0.0001809500000000, 0.0004041300000000, -0.0004135100000000 ] - [ -0.0000502900000000, 0.0001068500000000, -0.0001437400000000 ] - [ -0.0022052400000000, -0.0017033900000000, -0.0002473500000000 ] - [ -0.0000643800000000, -0.0001055300000000, -0.0001447600000000 ] - [ 0.0009046200000000, -0.0001700700000000, -0.0001429800000000 ] - [ 0.0001212500000000, -0.0000062500000000, -0.0001412800000000 ] - [ 0.0053058700000000, 0.0050399000000000, 0.0015256100000000 ] - [ 0.0000134300000000, 0.0002414000000000, -0.0000370100000000 ] - [ -0.0005347400000000, -0.0007055600000000, -0.0002266300000000 ] - [ -0.0002153300000000, -0.0001130400000000, -0.0000367400000000 ] - [ 0.0000334800000000, -0.0009506100000000, -0.0001252300000000 ] - [ 0.0002008700000000, -0.0001307900000000, -0.0000361000000000 ] - [ 0.0000610700000000, 0.0001505600000000, 0.0000632700000000 ] - [ 0.0000562900000000, 0.0001754400000000, 0.0000580400000000 ] - [ -0.0006543700000000, 0.0001558000000000, -0.0002425800000000 ] - [ -0.0002087000000000, -0.0000219900000000, 0.0000728400000000 ] - [ 0.0001774000000000, -0.0002829300000000, 0.0000719600000000 ] - [ 0.0001312000000000, -0.0001485700000000, 0.0000467600000000 ] - [ -0.0001177100000000, -0.0001264500000000, -0.0002364500000000 ] - [ -0.0000782700000000, -0.0001353900000000, -0.0003600000000000 ] - [ 0.0001414200000000, -0.0000510600000000, -0.0002041100000000 ] - [ 0.0001388200000000, -0.0000426700000000, -0.0003049200000000 ] - [ 0.0000704900000000, 0.0001517900000000, 0.0001183300000000 ] - [ -0.0001272200000000, 0.0001766000000000, -0.0005426900000000 ] - [ -0.0002041500000000, 0.0001074000000000, -0.0001381200000000 ] - [ -0.0000972100000000, 0.0000965000000000, -0.0001377700000000 ] - [ 0.0004130900000000, -0.0009888300000000, -0.0000349700000000 ] - [ -0.0000387400000000, -0.0001380900000000, -0.0001425200000000 ] - [ 0.0003566300000000, 0.0003194800000000, -0.0003436800000000 ] - [ 0.0001428800000000, 0.0000497800000000, -0.0001344200000000 ] - [ 0.0000326500000000, 0.0001609200000000, -0.0000485900000000 ] - [ 0.0000329500000000, 0.0002082100000000, -0.0000312900000000 ] - [ 0.0000420000000000, 0.0004068800000000, 0.0011371600000000 ] - [ -0.0002061600000000, -0.0000756700000000, -0.0000421400000000 ] - [ 0.0002317600000000, -0.0001733500000000, -0.0000250700000000 ] - [ 0.0001878800000000, -0.0001291900000000, -0.0000342500000000 ] - [ -0.0000311200000000, 0.0000936100000000, 0.0000562900000000 ] - [ -0.0000152200000000, 0.0001297700000000, 0.0000358500000000 ] - [ -0.0001229500000000, -0.0001306000000000, 0.0000024100000000 ] - [ -0.0001183500000000, -0.0000795600000000, 0.0000400900000000 ] - [ 0.0001882800000000, 0.0004040300000000, 0.0004549600000000 ] - [ 0.0001189600000000, -0.0000181800000000, 0.0000419600000000 ] - [ -0.0091458200000000, -0.0038659800000000, -0.0039922200000000 ] - [ -0.0001097000000000, -0.0000927800000000, -0.0001790900000000 ] - [ 0.0001181000000000, -0.0002868300000000, -0.0002984200000000 ] - [ 0.0001446200000000, -0.0000564400000000, -0.0001659400000000 ] - [ -0.0001918700000000, 0.0003200700000000, -0.0002810400000000 ] - [ -0.0000300100000000, 0.0001450500000000, -0.0001902900000000 ] - [ -0.0000065900000000, 0.0001535000000000, -0.0004156900000000 ] - [ -0.0000578300000000, 0.0001164500000000, -0.0001096900000000 ] - [ -0.0001370400000000, 0.0000227400000000, -0.0001784000000000 ] - [ -0.0000742600000000, -0.0000651800000000, -0.0001599300000000 ] - [ 0.0000627200000000, -0.0001070900000000, -0.0001623400000000 ] - [ 0.0001113300000000, -0.0000227100000000, -0.0001607800000000 ] - [ 0.0000980600000000, 0.0001685800000000, -0.0000917100000000 ] - [ 0.0000554100000000, 0.0001919000000000, -0.0000177000000000 ] - [ -0.0002084500000000, -0.0001326400000000, 0.0000046200000000 ] - [ -0.0001969800000000, -0.0000846600000000, -0.0000437800000000 ] - [ -0.0000074600000000, -0.0001712900000000, 0.0000958700000000 ] - [ 0.0001403700000000, -0.0001318400000000, -0.0000304900000000 ] - [ 0.0142257700000000, -0.0193092200000000, -0.0033256300000000 ] - [ -0.0002784900000000, -0.0001694300000000, 0.0001887900000000 ] - [ 0.0003028900000000, 0.0008399900000000, 0.0003577100000000 ] - [ 0.0002896500000000, -0.0001589000000000, 0.0001731300000000 ] - [ 0.0003871600000000, 0.0001019800000000, 0.0004804000000000 ] - [ -0.0000001300000000, 0.0003224700000000, 0.0001956500000000 ] - [ -0.0010968500000000, -0.0026322100000000, 0.0001955700000000 ] - [ -0.0000391500000000, -0.0000836600000000, 0.0000831700000000 ] - [ 0.0009724000000000, 0.0008658700000000, 0.0003811900000000 ] - [ 0.0000908900000000, 0.0000252400000000, 0.0000853900000000 ] - [ -0.0005579400000000, 0.0007820700000000, 0.0000502100000000 ] - [ -0.0000632800000000, 0.0000741000000000, 0.0000734200000000 ] - [ 0.0003515600000000, 0.0002731000000000, -0.0000918800000000 ] - [ -0.0002980000000000, -0.0001614000000000, -0.0000138700000000 ] - [ 0.0068726400000000, -0.0103865100000000, -0.0018139000000000 ] - [ 0.0002897600000000, -0.0001774200000000, -0.0000086000000000 ] - [ -0.0006365500000000, -0.0008238100000000, 0.0004683200000000 ] - [ 0.0000129900000000, 0.0003303100000000, -0.0000030200000000 ] - [ -0.0003141300000000, -0.0000685000000000, 0.0003993900000000 ] - [ -0.0002845700000000, -0.0001097400000000, 0.0002042500000000 ] - [ 0.0002637500000000, -0.0009224800000000, 0.0003564600000000 ] - [ 0.0002621200000000, -0.0002106100000000, 0.0002153900000000 ] - [ -0.0000517500000000, 0.0003542000000000, 0.0002157100000000 ] - [ 0.0000288800000000, 0.0002991100000000, 0.0002309400000000 ] - [ 0.0001741500000000, 0.0000455700000000, 0.0000807600000000 ] - [ 0.0000033500000000, -0.0000108300000000, 0.0001032000000000 ] - [ 0.0000573800000000, 0.0010132200000000, -0.0015488700000000 ] - [ 0.0000264300000000, 0.0000124900000000, 0.0000899600000000 ] - [ -0.0000278100000000, -0.0001919900000000, -0.0000978000000000 ] - [ -0.0000428100000000, -0.0000052100000000, 0.0000747000000000 ] - [ -0.0001175900000000, 0.0000519500000000, 0.0002868400000000 ] - [ -0.0002386000000000, -0.0001353300000000, 0.0000585700000000 ] - [ -0.0002704000000000, 0.0003895200000000, 0.0003019300000000 ] - [ 0.0002590800000000, -0.0001212100000000, 0.0000356400000000 ] - [ -0.0001393700000000, 0.0006211000000000, 0.0005610300000000 ] - [ -0.0000626700000000, 0.0003315300000000, -0.0001924800000000 ] - [ -0.0002759200000000, 0.0000179300000000, 0.0001684700000000 ] - [ -0.0002554900000000, -0.0000780000000000, 0.0002621700000000 ] - [ 0.0001876900000000, -0.0000132900000000, 0.0001493800000000 ] - [ 0.0002201800000000, -0.0001473100000000, 0.0002354200000000 ] - [ -0.0000680700000000, 0.0001872800000000, -0.0004703600000000 ] - [ 0.0000820900000000, 0.0002324700000000, 0.0003831500000000 ] - [ -0.0001877900000000, -0.0001761600000000, 0.0001862800000000 ] - [ -0.0000763200000000, -0.0000714500000000, 0.0000504200000000 ] - [ 0.0001601900000000, -0.0000435100000000, -0.0000398900000000 ] - [ 0.0000667100000000, -0.0000364400000000, 0.0001346200000000 ] - [ 0.0001308400000000, 0.0001013000000000, 0.0000819700000000 ] - [ -0.0000183500000000, 0.0000516900000000, 0.0001116600000000 ] - [ 0.0002420400000000, 0.0000111100000000, 0.0002428100000000 ] - [ -0.0002746900000000, -0.0002431900000000, -0.0000301800000000 ] - [ 0.0004170000000000, -0.0000674800000000, 0.0001089500000000 ] - [ 0.0004227600000000, -0.0001733300000000, -0.0001157400000000 ] - [ -0.0000104400000000, 0.0004386600000000, 0.0000187500000000 ] - [ -0.0000686800000000, 0.0003882500000000, -0.0000258300000000 ] - [ 0.0001028300000000, 0.0000890500000000, 0.0003363200000000 ] - [ 0.0000348500000000, 0.0000972600000000, 0.0003707700000000 ] - [ 0.0006789900000000, -0.0011932800000000, 0.0007219600000000 ] - [ 0.0000101900000000, -0.0000237400000000, 0.0002865100000000 ] - [ -0.0025790200000000, -0.0019410000000000, 0.0003672400000000 ] - [ 0.0000078600000000, 0.0000072200000000, 0.0005180300000000 ] - [ 0.0020663900000000, 0.0031207900000000, 0.0002351800000000 ] - [ -0.0000032400000000, 0.0000128800000000, -0.0002580800000000 ] - [ 0.0007637100000000, -0.0014128400000000, -0.0011978000000000 ] - [ 0.0000152900000000, -0.0000851100000000, -0.0002545700000000 ] - [ -0.0000263200000000, -0.0002606400000000, -0.0002149500000000 ] - [ -0.0001661600000000, -0.0000038300000000, 0.0000977600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0483350900000000, -0.0368951700000000, -0.0741685300000000 ] - [ 0.0000637500000000, 0.0001819700000000, 0.0000985700000000 ] - [ 0.0005515700000000, -0.0004502600000000, -0.0001822300000000 ] - [ -0.0001907200000000, -0.0000342800000000, 0.0000954400000000 ] - [ 0.0001752800000000, 0.0003407100000000, -0.0001833500000000 ] - [ 0.0001219600000000, -0.0001372200000000, 0.0000945900000000 ] - [ -0.0000687200000000, -0.0001167100000000, -0.0005499300000000 ] - [ -0.0001252300000000, -0.0000660900000000, 0.0000185200000000 ] - [ 0.0034471200000000, 0.0021832100000000, 0.0007286700000000 ] - [ 0.0001132900000000, -0.0000766300000000, 0.0000410200000000 ] - [ 0.0001452000000000, 0.0001468600000000, -0.0004917000000000 ] - [ 0.0000035500000000, 0.0001428500000000, 0.0000152400000000 ] - [ 0.0007855100000000, 0.0001397100000000, -0.0004306400000000 ] - [ -0.0000662800000000, 0.0001091200000000, -0.0000979700000000 ] - [ -0.0008780400000000, -0.0000816500000000, -0.0007929000000000 ] - [ -0.0000571900000000, -0.0001145300000000, -0.0000858500000000 ] - [ -0.0000484800000000, -0.0001939500000000, -0.0004365200000000 ] - [ 0.0001278500000000, -0.0000009300000000, -0.0000928600000000 ] - [ 0.0020005000000000, -0.0017443100000000, -0.0003144800000000 ] - [ 0.0000130600000000, 0.0002369800000000, 0.0000224900000000 ] - [ -0.0000866800000000, 0.0003202300000000, -0.0000401900000000 ] - [ -0.0002103200000000, -0.0001009500000000, 0.0000187900000000 ] - [ -0.0000546800000000, -0.0000383000000000, -0.0002725900000000 ] - [ 0.0001960800000000, -0.0001330500000000, 0.0000181200000000 ] - [ -0.0000483100000000, 0.0001137900000000, 0.0000575900000000 ] - [ 0.0000763100000000, 0.0002089600000000, 0.0000870500000000 ] - [ -0.0006850100000000, 0.0007185800000000, 0.0009855800000000 ] - [ -0.0002330700000000, -0.0000219100000000, 0.0001230200000000 ] - [ 0.0001744300000000, -0.0001453600000000, 0.0000486200000000 ] - [ 0.0001371100000000, -0.0001795000000000, 0.0000921100000000 ] - [ -0.0001180000000000, -0.0001137600000000, -0.0000877300000000 ] - [ -0.0001000200000000, -0.0000642200000000, -0.0001463500000000 ] - [ 0.0001417400000000, -0.0000632700000000, -0.0000840200000000 ] - [ 0.0000945900000000, -0.0000520200000000, -0.0000498800000000 ] - [ 0.0000990800000000, 0.0001968900000000, 0.0003990200000000 ] - [ 0.0000376800000000, 0.0001240900000000, 0.0001805800000000 ] - [ 0.0000888200000000, 0.0001516900000000, -0.0002271800000000 ] - [ -0.0000212400000000, 0.0001126300000000, -0.0000915600000000 ] - [ 0.0003792000000000, -0.0007196700000000, -0.0001846400000000 ] - [ -0.0000690100000000, -0.0001078700000000, -0.0000956900000000 ] - [ -0.0005386100000000, -0.0002652200000000, 0.0000228300000000 ] - [ 0.0001467100000000, 0.0000251900000000, -0.0000928200000000 ] - [ -0.0000353400000000, 0.0003356200000000, -0.0000948800000000 ] - [ -0.0000189200000000, 0.0002997600000000, 0.0000067900000000 ] - [ 0.0000674200000000, -0.0010664000000000, 0.0012460500000000 ] - [ -0.0002327100000000, -0.0001142800000000, 0.0000150500000000 ] - [ 0.0002543800000000, -0.0000848900000000, -0.0001357200000000 ] - [ 0.0002434300000000, -0.0001485500000000, 0.0000025200000000 ] - [ 0.0001782000000000, 0.0002345300000000, 0.0000558000000000 ] - [ 0.0000495200000000, 0.0001666400000000, 0.0000839100000000 ] - [ -0.0002944100000000, 0.0000495700000000, 0.0000469700000000 ] - [ -0.0001854100000000, -0.0000426600000000, 0.0000895600000000 ] - [ 0.0004129400000000, -0.0001848100000000, 0.0009706300000000 ] - [ 0.0001035200000000, -0.0001808600000000, 0.0001201300000000 ] - [ 0.0291227200000000, 0.0184698600000000, 0.0090703900000000 ] - [ -0.0001224000000000, -0.0000569000000000, 0.0000532000000000 ] - [ 0.0003487000000000, 0.0000550600000000, 0.0000993700000000 ] - [ 0.0001173400000000, -0.0000817600000000, 0.0000374500000000 ] - [ -0.0000665800000000, 0.0003562700000000, -0.0003914500000000 ] - [ 0.0000059600000000, 0.0001353500000000, 0.0000254700000000 ] - [ -0.0003966100000000, 0.0002269200000000, 0.0003064300000000 ] - [ -0.0001147100000000, 0.0000887800000000, -0.0000216800000000 ] - [ 0.0001212400000000, -0.0003133800000000, -0.0001197200000000 ] - [ -0.0000586600000000, -0.0001123000000000, -0.0001221700000000 ] - [ 0.0001929000000000, 0.0001461900000000, -0.0001651500000000 ] - [ 0.0001800000000000, 0.0000793300000000, -0.0001278200000000 ] - [ -0.0000158500000000, 0.0002351900000000, -0.0000718000000000 ] - [ 0.0000796900000000, 0.0001786300000000, 0.0000050300000000 ] - [ -0.0001260000000000, -0.0000029300000000, -0.0000190600000000 ] - [ -0.0002324400000000, -0.0001108900000000, 0.0000071500000000 ] - [ -0.0001496900000000, -0.0002882900000000, 0.0000992000000000 ] - [ 0.0002088100000000, -0.0001008000000000, 0.0000693800000000 ] - [ 0.0250113900000000, 0.0212804600000000, 0.0534141600000000 ] - [ -0.0002747100000000, -0.0001720500000000, -0.0000439000000000 ] - [ -0.0015158400000000, -0.0009635900000000, 0.0002486000000000 ] - [ 0.0002877900000000, -0.0001538600000000, -0.0000414700000000 ] - [ 0.0003244300000000, -0.0006475600000000, 0.0007374700000000 ] - [ -0.0000006300000000, 0.0003211200000000, -0.0000279700000000 ] - [ -0.0013301100000000, 0.0011189600000000, 0.0004607700000000 ] - [ -0.0000251500000000, -0.0000931600000000, -0.0001140200000000 ] - [ 0.0003985400000000, -0.0003930300000000, 0.0006051000000000 ] - [ 0.0000913500000000, 0.0000118000000000, -0.0001168100000000 ] - [ 0.0002489500000000, 0.0000945400000000, 0.0006288800000000 ] - [ -0.0000696300000000, 0.0000800600000000, -0.0001129500000000 ] - [ -0.0012166500000000, -0.0005154100000000, 0.0002045500000000 ] - [ -0.0003161400000000, -0.0002081600000000, -0.0002358700000000 ] - [ -0.0025936800000000, 0.0001466800000000, 0.0122055200000000 ] - [ 0.0003314200000000, -0.0001709900000000, -0.0002465600000000 ] - [ -0.0004734900000000, 0.0008339700000000, -0.0000584000000000 ] - [ -0.0000178400000000, 0.0003772200000000, -0.0002326400000000 ] - [ -0.0003610600000000, -0.0002188600000000, 0.0004540400000000 ] - [ -0.0002518400000000, -0.0001844800000000, 0.0000354000000000 ] - [ -0.0008950500000000, -0.0010833400000000, -0.0004008500000000 ] - [ 0.0003030500000000, -0.0001679700000000, -0.0000114600000000 ] - [ -0.0002128700000000, 0.0003415500000000, 0.0003603600000000 ] - [ 0.0000022300000000, 0.0003286800000000, 0.0000304000000000 ] - [ -0.0000196500000000, -0.0002047800000000, 0.0004034200000000 ] - [ -0.0000414100000000, -0.0001558100000000, -0.0002326600000000 ] - [ 0.0002264100000000, 0.0014702200000000, -0.0003897600000000 ] - [ 0.0000904700000000, 0.0000276900000000, -0.0001220900000000 ] - [ 0.0002568300000000, 0.0004144100000000, 0.0009860400000000 ] - [ -0.0000895300000000, 0.0000683100000000, -0.0001352800000000 ] - [ -0.0004164400000000, -0.0003057400000000, 0.0001108200000000 ] - [ -0.0003075100000000, -0.0001616000000000, -0.0001148900000000 ] - [ 0.0001651400000000, 0.0001028500000000, 0.0000622200000000 ] - [ 0.0002866600000000, -0.0001572500000000, -0.0001099100000000 ] - [ 0.0007502000000000, -0.0005334300000000, -0.0002216800000000 ] - [ -0.0000872400000000, 0.0003980700000000, -0.0004316000000000 ] - [ -0.0003291300000000, -0.0001439100000000, 0.0001274500000000 ] - [ -0.0002874900000000, -0.0001258800000000, 0.0000430800000000 ] - [ 0.0002584100000000, -0.0001918300000000, 0.0000809700000000 ] - [ 0.0002929300000000, -0.0001530000000000, -0.0000187000000000 ] - [ -0.0001209700000000, 0.0005183900000000, -0.0006257800000000 ] - [ -0.0000113800000000, 0.0003114300000000, -0.0001908700000000 ] - [ 0.0003049600000000, 0.0000439800000000, 0.0001721900000000 ] - [ -0.0001154500000000, 0.0000097400000000, -0.0001979500000000 ] - [ -0.0001839600000000, 0.0000410300000000, 0.0003368300000000 ] - [ 0.0000665700000000, 0.0000146000000000, -0.0000107200000000 ] - [ 0.0001977000000000, -0.0000242600000000, 0.0001500600000000 ] - [ -0.0001714500000000, -0.0000783700000000, -0.0001666900000000 ] - [ -0.0024577300000000, -0.0015804500000000, 0.0000263600000000 ] - [ -0.0001945600000000, -0.0001199200000000, -0.0001842000000000 ] - [ 0.0000417500000000, -0.0000153700000000, 0.0001028900000000 ] - [ 0.0003979800000000, -0.0001620500000000, -0.0002434400000000 ] - [ 0.0000304700000000, -0.0000236900000000, 0.0002480600000000 ] - [ -0.0000679700000000, 0.0003189600000000, -0.0001660800000000 ] - [ 0.0007795100000000, 0.0000679900000000, 0.0008772200000000 ] - [ -0.0001241600000000, 0.0000029300000000, 0.0004891600000000 ] - [ 0.0002328100000000, -0.0007290400000000, 0.0001159400000000 ] - [ -0.0000244500000000, 0.0000426400000000, 0.0006934200000000 ] - [ -0.0025629400000000, -0.0000061700000000, -0.0030625700000000 ] - [ -0.0000063100000000, -0.0000221400000000, 0.0009253600000000 ] - [ -0.0010564800000000, -0.0019813200000000, -0.0009051300000000 ] - [ 0.0000145300000000, 0.0000040700000000, 0.0001993000000000 ] - [ -0.0002326300000000, 0.0010770100000000, -0.0014825300000000 ] - [ 0.0000442600000000, -0.0000979900000000, 0.0001618900000000 ] - [ 0.0004570800000000, 0.0004586700000000, -0.0001877400000000 ] - [ -0.0002529800000000, -0.0000861400000000, 0.0000559600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0473883100000000, 0.0367171600000000, 0.0730360500000000 ] - [ 0.0000257000000000, 0.0001718000000000, -0.0000066100000000 ] - [ -0.0009154800000000, 0.0003585500000000, 0.0002733200000000 ] - [ -0.0001734200000000, -0.0000562800000000, -0.0000030000000000 ] - [ 0.0000835800000000, -0.0005967600000000, 0.0002721800000000 ] - [ 0.0001368200000000, -0.0001161000000000, -0.0000038500000000 ] - [ -0.0001401100000000, -0.0000949500000000, 0.0000673700000000 ] - [ -0.0000845100000000, -0.0001435000000000, -0.0004870700000000 ] - [ -0.0031241900000000, -0.0022393500000000, -0.0011909900000000 ] - [ 0.0001704500000000, 0.0000021000000000, -0.0005110100000000 ] - [ -0.0002246200000000, 0.0001390600000000, 0.0000068200000000 ] - [ -0.0000822100000000, 0.0001428100000000, -0.0004858200000000 ] - [ -0.0009029400000000, 0.0000735400000000, 0.0001338800000000 ] - [ -0.0000532100000000, 0.0001027700000000, -0.0001954300000000 ] - [ 0.0007560500000000, -0.0001519900000000, 0.0005097200000000 ] - [ -0.0000607800000000, -0.0001040700000000, -0.0002040000000000 ] - [ 0.0002929600000000, 0.0002002400000000, 0.0001452200000000 ] - [ 0.0001189800000000, 0.0000030900000000, -0.0001988600000000 ] - [ -0.0019144700000000, 0.0021434800000000, 0.0002483100000000 ] - [ 0.0000257500000000, 0.0002139600000000, -0.0001035900000000 ] - [ -0.0003212700000000, -0.0005052000000000, -0.0000410200000000 ] - [ -0.0001993800000000, -0.0000890500000000, -0.0000994500000000 ] - [ 0.0004225100000000, -0.0002168500000000, 0.0001925800000000 ] - [ 0.0001756100000000, -0.0001263000000000, -0.0000988700000000 ] - [ 0.0001382000000000, 0.0002423600000000, 0.0000416300000000 ] - [ 0.0000141500000000, 0.0001473100000000, 0.0000130000000000 ] - [ 0.0003126500000000, -0.0007969000000000, -0.0008730100000000 ] - [ -0.0001294700000000, -0.0000712200000000, -0.0000236800000000 ] - [ 0.0000864500000000, -0.0001105800000000, 0.0000492000000000 ] - [ 0.0001235100000000, -0.0000749900000000, 0.0000064600000000 ] - [ -0.0000999100000000, -0.0000902000000000, -0.0003929900000000 ] - [ -0.0001174600000000, -0.0001402100000000, -0.0003386100000000 ] - [ 0.0001397900000000, -0.0000209400000000, -0.0003942300000000 ] - [ 0.0001878300000000, -0.0000306800000000, -0.0004359100000000 ] - [ -0.0001707700000000, 0.0000926800000000, -0.0008878100000000 ] - [ -0.0001090900000000, 0.0001661400000000, -0.0006654200000000 ] - [ -0.0002114900000000, 0.0000548700000000, -0.0000655300000000 ] - [ -0.0001031100000000, 0.0000932900000000, -0.0001995700000000 ] - [ -0.0004871900000000, 0.0004966700000000, -0.0001053400000000 ] - [ -0.0000449700000000, -0.0001070400000000, -0.0001933000000000 ] - [ 0.0007752100000000, 0.0002736400000000, -0.0003108800000000 ] - [ 0.0000951000000000, -0.0000188100000000, -0.0001973400000000 ] - [ 0.0000801200000000, 0.0001275800000000, 0.0000144000000000 ] - [ 0.0000633500000000, 0.0001632000000000, -0.0000850300000000 ] - [ -0.0004861500000000, 0.0008544100000000, -0.0013133400000000 ] - [ -0.0001906900000000, -0.0000790500000000, -0.0000936600000000 ] - [ 0.0001205900000000, -0.0001849000000000, 0.0000532600000000 ] - [ 0.0001372300000000, -0.0001206900000000, -0.0000804400000000 ] - [ -0.0000955700000000, 0.0001080400000000, 0.0000399500000000 ] - [ 0.0000313800000000, 0.0001754900000000, 0.0000097900000000 ] - [ -0.0000490900000000, -0.0001452600000000, 0.0000476400000000 ] - [ -0.0001612100000000, -0.0000511100000000, 0.0000038600000000 ] - [ -0.0001665400000000, -0.0000475200000000, -0.0008878400000000 ] - [ 0.0001495100000000, -0.0000607600000000, -0.0000266300000000 ] - [ -0.0295480000000000, -0.0190992600000000, -0.0098788100000000 ] - [ -0.0000916500000000, -0.0001530600000000, -0.0005176800000000 ] - [ -0.0000519000000000, -0.0001275300000000, -0.0005462000000000 ] - [ 0.0001685600000000, 0.0000042900000000, -0.0005035400000000 ] - [ -0.0000112300000000, -0.0000611600000000, -0.0000632400000000 ] - [ -0.0000838000000000, 0.0001542700000000, -0.0004943900000000 ] - [ 0.0002681800000000, -0.0000228800000000, -0.0006068000000000 ] - [ -0.0000242500000000, 0.0001170600000000, -0.0002751800000000 ] - [ -0.0002301800000000, 0.0000899200000000, -0.0001752600000000 ] - [ -0.0000506700000000, -0.0001115900000000, -0.0001745800000000 ] - [ 0.0000550300000000, -0.0001285800000000, -0.0001304000000000 ] - [ 0.0000689500000000, -0.0000603000000000, -0.0001699600000000 ] - [ 0.0000562900000000, 0.0002274300000000, 0.0000013600000000 ] - [ -0.0000403800000000, 0.0002867600000000, -0.0000779500000000 ] - [ -0.0002964100000000, -0.0001954700000000, -0.0000507200000000 ] - [ -0.0001901800000000, -0.0000870600000000, -0.0000792700000000 ] - [ 0.0005384900000000, 0.0000245900000000, -0.0001713300000000 ] - [ 0.0001776500000000, -0.0001647500000000, -0.0001406700000000 ] - [ -0.0243641300000000, -0.0206230400000000, -0.0514855700000000 ] - [ -0.0002848900000000, -0.0001285900000000, 0.0005033300000000 ] - [ 0.0020528200000000, 0.0006025600000000, 0.0002050800000000 ] - [ 0.0002695800000000, -0.0001927400000000, 0.0004958100000000 ] - [ -0.0002958000000000, 0.0012714300000000, -0.0002795600000000 ] - [ 0.0000271400000000, 0.0003123800000000, 0.0004867400000000 ] - [ 0.0012481800000000, -0.0012196800000000, -0.0002851000000000 ] - [ -0.0000363200000000, -0.0000459300000000, 0.0002934000000000 ] - [ -0.0002568100000000, 0.0004223500000000, -0.0004254700000000 ] - [ 0.0000544500000000, 0.0000136100000000, 0.0002984400000000 ] - [ -0.0003425300000000, 0.0000202800000000, -0.0004449000000000 ] - [ -0.0000281200000000, 0.0000380700000000, 0.0002971100000000 ] - [ 0.0006674200000000, 0.0001990800000000, -0.0001696300000000 ] - [ -0.0002584300000000, -0.0001102900000000, 0.0002664900000000 ] - [ 0.0031354600000000, -0.0004788400000000, -0.0121854900000000 ] - [ 0.0002341500000000, -0.0001712200000000, 0.0002756100000000 ] - [ 0.0004928500000000, -0.0001800300000000, 0.0000897100000000 ] - [ 0.0000281000000000, 0.0002823400000000, 0.0002617600000000 ] - [ -0.0001916600000000, -0.0000192300000000, 0.0000464800000000 ] - [ -0.0002973200000000, -0.0000518700000000, 0.0004547900000000 ] - [ 0.0013737100000000, 0.0007087000000000, 0.0008785600000000 ] - [ 0.0001890500000000, -0.0001977200000000, 0.0004970000000000 ] - [ 0.0002871900000000, 0.0002524000000000, 0.0001368700000000 ] - [ 0.0000716800000000, 0.0002624500000000, 0.0004566800000000 ] - [ -0.0000174900000000, 0.0001138900000000, -0.0002437900000000 ] - [ 0.0000046800000000, 0.0000645300000000, 0.0003891300000000 ] - [ -0.0001362100000000, -0.0014347700000000, 0.0005559400000000 ] - [ 0.0000057200000000, -0.0000077200000000, 0.0002797400000000 ] - [ -0.0003100500000000, -0.0003389200000000, -0.0008287500000000 ] - [ 0.0000199500000000, 0.0000070300000000, 0.0002941800000000 ] - [ -0.0001187000000000, -0.0000382300000000, 0.0000108200000000 ] - [ -0.0002264000000000, -0.0001818700000000, 0.0002285100000000 ] - [ 0.0004039100000000, -0.0003958600000000, 0.0000545400000000 ] - [ 0.0002844400000000, -0.0001375800000000, 0.0002196400000000 ] - [ -0.0007679800000000, 0.0011555100000000, 0.0003383300000000 ] - [ 0.0000590500000000, 0.0002385300000000, 0.0005479500000000 ] - [ -0.0001893700000000, -0.0001436800000000, 0.0002313200000000 ] - [ -0.0002290700000000, -0.0001615200000000, 0.0003208500000000 ] - [ 0.0002595400000000, -0.0001164200000000, 0.0002686400000000 ] - [ 0.0002274200000000, -0.0001584400000000, 0.0003774400000000 ] - [ 0.0001379200000000, 0.0000658800000000, 0.0009878800000000 ] - [ 0.0000257100000000, 0.0002779400000000, 0.0005509800000000 ] - [ -0.0003608900000000, -0.0001684800000000, 0.0000687800000000 ] - [ 0.0000658100000000, -0.0001348100000000, 0.0004396300000000 ] - [ 0.0003149700000000, -0.0000184800000000, -0.0000923700000000 ] - [ 0.0000660800000000, 0.0000079100000000, 0.0002591700000000 ] - [ -0.0002911900000000, 0.0001273200000000, 0.0000941100000000 ] - [ 0.0000780500000000, 0.0001797300000000, 0.0004134100000000 ] - [ 0.0019457600000000, 0.0012716100000000, 0.0001403500000000 ] - [ -0.0003330300000000, -0.0002265100000000, 0.0002724500000000 ] - [ 0.0005342100000000, -0.0002747400000000, -0.0000377500000000 ] - [ 0.0001691300000000, -0.0001241100000000, 0.0003302800000000 ] - [ -0.0000708400000000, 0.0006668400000000, -0.0001773500000000 ] - [ 0.0000293200000000, 0.0003157800000000, 0.0002519200000000 ] - [ -0.0007636200000000, -0.0000651800000000, -0.0002461100000000 ] - [ 0.0001294000000000, 0.0000003700000000, 0.0001395200000000 ] - [ -0.0002439000000000, 0.0007292300000000, 0.0005071000000000 ] - [ 0.0000180800000000, -0.0000382300000000, -0.0000880400000000 ] - [ 0.0025705100000000, -0.0000193200000000, 0.0040118000000000 ] - [ 0.0000201800000000, 0.0000180200000000, 0.0000749000000000 ] - [ 0.0010447300000000, 0.0019840700000000, 0.0003513700000000 ] - [ -0.0000169800000000, -0.0000054000000000, -0.0008074600000000 ] - [ 0.0002245300000000, -0.0010662700000000, 0.0008325400000000 ] - [ -0.0000510600000000, 0.0001000300000000, -0.0007830500000000 ] - [ -0.0004863600000000, -0.0004819700000000, -0.0004285000000000 ] - [ 0.0002513000000000, 0.0000821700000000, -0.0006880700000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004291200000000, 0.0004345400000000, 0.0000818500000000 ] - [ 0.0000276400000000, 0.0001680100000000, 0.0000254500000000 ] - [ -0.0000241700000000, -0.0002380300000000, -0.0000492300000000 ] - [ -0.0001682600000000, -0.0000524200000000, 0.0000245500000000 ] - [ -0.0009409200000000, 0.0005292900000000, 0.0003296200000000 ] - [ 0.0001333600000000, -0.0001143200000000, 0.0000253600000000 ] - [ -0.0565777300000000, -0.0089571700000000, 0.0139145800000000 ] - [ -0.0000973700000000, -0.0001212300000000, -0.0003399300000000 ] - [ 0.0017164200000000, 0.0009553400000000, 0.0005541600000000 ] - [ 0.0001564800000000, -0.0000216100000000, -0.0003515500000000 ] - [ -0.0005279300000000, 0.0003459000000000, 0.0003204700000000 ] - [ -0.0000602100000000, 0.0001476600000000, -0.0003466300000000 ] - [ -0.0006674900000000, 0.0000865000000000, -0.0016350800000000 ] - [ -0.0000500100000000, 0.0001046400000000, -0.0001768300000000 ] - [ 0.0002088700000000, -0.0003195900000000, 0.0000799900000000 ] - [ -0.0000610000000000, -0.0001086500000000, -0.0001526100000000 ] - [ 0.0000449700000000, -0.0001849200000000, -0.0001175000000000 ] - [ 0.0001125900000000, -0.0000098300000000, -0.0001671600000000 ] - [ 0.0003199300000000, 0.0000749900000000, -0.0000678500000000 ] - [ 0.0000167600000000, 0.0002210400000000, -0.0000616200000000 ] - [ -0.0001994700000000, -0.0002783200000000, 0.0000630800000000 ] - [ -0.0001976700000000, -0.0000813600000000, -0.0000577300000000 ] - [ 0.0000566000000000, -0.0000384600000000, -0.0000521800000000 ] - [ 0.0001826800000000, -0.0001298300000000, -0.0000678600000000 ] - [ -0.0042492700000000, 0.0082557600000000, 0.0293701300000000 ] - [ 0.0000376100000000, 0.0001767900000000, 0.0000341800000000 ] - [ 0.0006064100000000, -0.0005895800000000, -0.0001162900000000 ] - [ -0.0001943400000000, -0.0000444900000000, 0.0000352900000000 ] - [ 0.0003320200000000, -0.0002199800000000, 0.0000267400000000 ] - [ 0.0001464700000000, -0.0001378200000000, 0.0000244200000000 ] - [ -0.0000957000000000, -0.0001190300000000, -0.0003291600000000 ] - [ -0.0001247800000000, -0.0001155600000000, -0.0002327600000000 ] - [ 0.0001466000000000, -0.0000379100000000, -0.0003293100000000 ] - [ -0.0001607400000000, -0.0002913800000000, -0.0001145800000000 ] - [ -0.0000488700000000, 0.0001396400000000, -0.0002955500000000 ] - [ -0.0000165400000000, 0.0001396400000000, -0.0002266000000000 ] - [ 0.0006153900000000, 0.0001324500000000, -0.0003481100000000 ] - [ -0.0000514400000000, 0.0001037900000000, -0.0001639600000000 ] - [ -0.0002696400000000, 0.0000628700000000, -0.0001609700000000 ] - [ -0.0000620900000000, -0.0001113000000000, -0.0001693100000000 ] - [ 0.0005555100000000, 0.0000998900000000, 0.0001027000000000 ] - [ 0.0001164600000000, -0.0000011200000000, -0.0001631000000000 ] - [ 0.0011272800000000, -0.0023476800000000, -0.0045621900000000 ] - [ 0.0000208900000000, 0.0002350500000000, -0.0000607200000000 ] - [ 0.0000281500000000, 0.0005402500000000, 0.0000559800000000 ] - [ -0.0002232000000000, -0.0000998100000000, -0.0000764500000000 ] - [ 0.0001283200000000, -0.0007462400000000, 0.0003558500000000 ] - [ 0.0002074800000000, -0.0001316500000000, -0.0000593200000000 ] - [ 0.0000740800000000, 0.0001547600000000, 0.0000556500000000 ] - [ 0.0000687900000000, 0.0001978000000000, 0.0000379200000000 ] - [ -0.0001789900000000, -0.0000224100000000, 0.0000285400000000 ] - [ -0.0001356100000000, -0.0001384500000000, -0.0000675100000000 ] - [ 0.0001260000000000, -0.0000983300000000, 0.0000601500000000 ] - [ 0.0001346200000000, -0.0001695600000000, 0.0000279600000000 ] - [ -0.0001224300000000, -0.0000624800000000, -0.0000680900000000 ] - [ -0.0000940100000000, -0.0001264400000000, -0.0003580000000000 ] - [ 0.0001303200000000, -0.0000512000000000, -0.0001609000000000 ] - [ 0.0001552400000000, -0.0000186700000000, -0.0003458400000000 ] - [ 0.0000328400000000, 0.0001793900000000, -0.0001433200000000 ] - [ -0.0000554300000000, 0.0001534400000000, -0.0003368900000000 ] - [ -0.0003330400000000, 0.0000797400000000, -0.0001538400000000 ] - [ -0.0000679500000000, 0.0001044000000000, -0.0001987400000000 ] - [ -0.0000149700000000, -0.0001334900000000, -0.0001606300000000 ] - [ -0.0001435900000000, 0.0000110100000000, -0.0000560400000000 ] - [ 0.0001386100000000, 0.0000600400000000, -0.0001496600000000 ] - [ 0.0002090400000000, 0.0001341300000000, 0.0000139900000000 ] - [ 0.0001380800000000, 0.0000460400000000, -0.0000419800000000 ] - [ -0.0000101100000000, 0.0002715400000000, -0.0000298900000000 ] - [ -0.0002049400000000, -0.0000901900000000, -0.0000538200000000 ] - [ -0.0003313400000000, -0.0000485300000000, -0.0002968800000000 ] - [ 0.0001262600000000, -0.0001128500000000, -0.0000220500000000 ] - [ 0.0000604700000000, -0.0001532700000000, -0.0002143100000000 ] - [ -0.0006493400000000, -0.0002809900000000, 0.0000895500000000 ] - [ -0.0002797700000000, -0.0001364700000000, 0.0003480300000000 ] - [ 0.0001626900000000, 0.0000595400000000, 0.0001521300000000 ] - [ 0.0002646000000000, -0.0001858300000000, 0.0003318600000000 ] - [ 0.0003318300000000, -0.0001064100000000, -0.0000555100000000 ] - [ 0.0000195500000000, 0.0003091000000000, 0.0003276300000000 ] - [ 0.0003859000000000, -0.0000935500000000, 0.0003560300000000 ] - [ -0.0000220400000000, -0.0000610500000000, 0.0001750600000000 ] - [ -0.0001467500000000, 0.0002139500000000, -0.0000890100000000 ] - [ 0.0000729900000000, 0.0000014000000000, 0.0001447500000000 ] - [ 0.0000140400000000, 0.0001440600000000, 0.0000415400000000 ] - [ -0.0000292900000000, 0.0000672400000000, 0.0001774000000000 ] - [ 0.0140799600000000, 0.0023344400000000, 0.0026877400000000 ] - [ -0.0002881000000000, -0.0001545900000000, 0.0001134100000000 ] - [ 0.0001159400000000, -0.0015759500000000, -0.0027559700000000 ] - [ 0.0002514500000000, -0.0001618800000000, 0.0001291400000000 ] - [ -0.0001274500000000, 0.0006382500000000, -0.0011363000000000 ] - [ 0.0000143400000000, 0.0003342400000000, 0.0001001300000000 ] - [ 0.0441093000000000, -0.0000075900000000, -0.0413838300000000 ] - [ -0.0002806100000000, -0.0001180100000000, 0.0003475000000000 ] - [ -0.0011256400000000, -0.0006679700000000, 0.0004047400000000 ] - [ 0.0002582600000000, -0.0002044600000000, 0.0003729200000000 ] - [ 0.0003483600000000, 0.0002366500000000, -0.0002557600000000 ] - [ 0.0000143200000000, 0.0002961600000000, 0.0003685800000000 ] - [ -0.0004419700000000, 0.0004957100000000, 0.0014214500000000 ] - [ -0.0000229500000000, -0.0000479500000000, 0.0001418400000000 ] - [ -0.0000397600000000, -0.0003767200000000, -0.0000150100000000 ] - [ 0.0000622700000000, 0.0000140000000000, 0.0001569900000000 ] - [ -0.0003856300000000, 0.0005900300000000, -0.0003194300000000 ] - [ -0.0000410500000000, 0.0000373800000000, 0.0001451100000000 ] - [ -0.0005924300000000, -0.0002188800000000, -0.0000992400000000 ] - [ -0.0002640800000000, -0.0001441900000000, 0.0001474000000000 ] - [ 0.0020730300000000, 0.0002532700000000, -0.0016348100000000 ] - [ 0.0002672000000000, -0.0001386100000000, 0.0001486100000000 ] - [ -0.0006618000000000, 0.0004290200000000, -0.0000492600000000 ] - [ -0.0000010800000000, 0.0003086800000000, 0.0001197500000000 ] - [ -0.0003477400000000, -0.0000368100000000, 0.0002000600000000 ] - [ -0.0002344500000000, -0.0001688000000000, 0.0001846800000000 ] - [ 0.0002520300000000, -0.0001765700000000, 0.0002566300000000 ] - [ 0.0004515300000000, 0.0000220400000000, 0.0002013600000000 ] - [ 0.0000132500000000, 0.0002840100000000, 0.0001909200000000 ] - [ 0.0000731200000000, 0.0003344000000000, 0.0001981500000000 ] - [ 0.0001300600000000, 0.0002685200000000, 0.0007083100000000 ] - [ 0.0000234700000000, -0.0001194200000000, 0.0002459800000000 ] - [ 0.0000328500000000, -0.0000171200000000, 0.0000896900000000 ] - [ 0.0002389500000000, -0.0004499900000000, 0.0005448900000000 ] - [ -0.0000214400000000, -0.0000883800000000, 0.0001987500000000 ] - [ 0.0004644600000000, 0.0002053900000000, -0.0004439400000000 ] - [ -0.0001284900000000, -0.0001815900000000, -0.0000212100000000 ] - [ -0.0002316100000000, -0.0001222900000000, 0.0002163600000000 ] - [ 0.0002600100000000, -0.0001122800000000, 0.0000210300000000 ] - [ 0.0002688900000000, -0.0002338600000000, 0.0001384000000000 ] - [ -0.0000207400000000, 0.0002479800000000, 0.0000152900000000 ] - [ -0.0000972000000000, 0.0003120300000000, 0.0001028900000000 ] - [ -0.0000602600000000, 0.0000898300000000, -0.0019747400000000 ] - [ 0.0000770800000000, 0.0001177000000000, 0.0000405700000000 ] - [ 0.0002132700000000, 0.0000313300000000, 0.0003443200000000 ] - [ -0.0000857100000000, 0.0000030800000000, 0.0001567100000000 ] - [ 0.0000627300000000, -0.0007098300000000, 0.0009015800000000 ] - [ 0.0000031200000000, 0.0000008300000000, 0.0003549600000000 ] - [ -0.0024225500000000, 0.0003125500000000, 0.0058038600000000 ] - [ 0.0000565000000000, -0.0000309200000000, -0.0004755400000000 ] - [ 0.0014892500000000, 0.0008247100000000, 0.0003470600000000 ] - [ -0.0000005000000000, -0.0000159500000000, -0.0004899300000000 ] - [ -0.0000348200000000, -0.0000189100000000, -0.0004330400000000 ] - [ 0.0000215800000000, -0.0001249000000000, -0.0005172700000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003463000000000, -0.0000849500000000, 0.0000104600000000 ] - [ 0.0000617300000000, 0.0001857000000000, 0.0000661100000000 ] - [ -0.0003433500000000, 0.0001495500000000, 0.0001424100000000 ] - [ -0.0001954700000000, -0.0000382300000000, 0.0000674300000000 ] - [ 0.0011972500000000, -0.0008008300000000, -0.0002147700000000 ] - [ 0.0001254100000000, -0.0001382200000000, 0.0000648300000000 ] - [ 0.0556588800000000, 0.0092452000000000, -0.0125304100000000 ] - [ -0.0001124000000000, -0.0000887400000000, -0.0001307700000000 ] - [ -0.0014533400000000, -0.0010499600000000, -0.0010291400000000 ] - [ 0.0001276600000000, -0.0000527500000000, -0.0001200900000000 ] - [ 0.0004547100000000, -0.0000461800000000, -0.0007843700000000 ] - [ -0.0000186800000000, 0.0001382400000000, -0.0001260000000000 ] - [ 0.0005451300000000, 0.0001219500000000, 0.0013128000000000 ] - [ -0.0000703400000000, 0.0001069200000000, -0.0001170300000000 ] - [ -0.0003297800000000, 0.0001041700000000, -0.0003731100000000 ] - [ -0.0000560900000000, -0.0001106100000000, -0.0001376100000000 ] - [ 0.0002046300000000, 0.0001912700000000, -0.0001737600000000 ] - [ 0.0001345400000000, 0.0000130100000000, -0.0001245500000000 ] - [ -0.0002792500000000, 0.0003713300000000, -0.0000133700000000 ] - [ 0.0000220500000000, 0.0002295300000000, -0.0000197800000000 ] - [ -0.0002085800000000, 0.0000922600000000, -0.0001442700000000 ] - [ -0.0002114400000000, -0.0001084100000000, -0.0000231800000000 ] - [ 0.0003102400000000, -0.0002215300000000, -0.0000288900000000 ] - [ 0.0001881200000000, -0.0001294000000000, -0.0000132100000000 ] - [ 0.0043341000000000, -0.0076154000000000, -0.0292980400000000 ] - [ 0.0000520500000000, 0.0001791900000000, 0.0000649800000000 ] - [ -0.0009751800000000, 0.0004992600000000, 0.0002175700000000 ] - [ -0.0001674300000000, -0.0000494600000000, 0.0000637600000000 ] - [ -0.0000726700000000, -0.0000215300000000, 0.0000688500000000 ] - [ 0.0001143200000000, -0.0001157500000000, 0.0000732800000000 ] - [ -0.0001219900000000, -0.0000861900000000, -0.0001561700000000 ] - [ -0.0000937200000000, -0.0000873800000000, -0.0002421900000000 ] - [ 0.0001362500000000, -0.0000458900000000, -0.0001531100000000 ] - [ 0.0004377600000000, 0.0002041900000000, -0.0003553700000000 ] - [ -0.0000228300000000, 0.0001510200000000, -0.0001925600000000 ] - [ -0.0000536100000000, 0.0001509100000000, -0.0002509100000000 ] - [ -0.0007398400000000, 0.0000764100000000, 0.0000597500000000 ] - [ -0.0000715600000000, 0.0001020300000000, -0.0001276600000000 ] - [ 0.0001506900000000, -0.0002755100000000, -0.0001288700000000 ] - [ -0.0000520500000000, -0.0001029500000000, -0.0001202000000000 ] - [ -0.0003119700000000, -0.0000964200000000, -0.0003903900000000 ] - [ 0.0001254000000000, 0.0000076200000000, -0.0001274500000000 ] - [ -0.0010581700000000, 0.0028662500000000, 0.0045049600000000 ] - [ 0.0000229900000000, 0.0002284900000000, -0.0000181500000000 ] - [ -0.0004526600000000, -0.0007419500000000, -0.0001344000000000 ] - [ -0.0002001400000000, -0.0000935300000000, -0.0000022000000000 ] - [ 0.0002387000000000, 0.0004754600000000, -0.0004303000000000 ] - [ 0.0001734000000000, -0.0001374700000000, -0.0000191800000000 ] - [ 0.0000090900000000, 0.0001888700000000, 0.0000382500000000 ] - [ 0.0000135100000000, 0.0001455000000000, 0.0000559200000000 ] - [ -0.0001662000000000, -0.0000732200000000, 0.0000655300000000 ] - [ -0.0002135000000000, 0.0000423000000000, 0.0001575400000000 ] - [ 0.0001274200000000, -0.0001437900000000, 0.0000319800000000 ] - [ 0.0001187900000000, -0.0000719600000000, 0.0000654400000000 ] - [ -0.0000914100000000, -0.0001494300000000, -0.0004013000000000 ] - [ -0.0001203400000000, -0.0000837600000000, -0.0001064900000000 ] - [ 0.0001561000000000, -0.0000261500000000, -0.0003073700000000 ] - [ 0.0001311500000000, -0.0000588900000000, -0.0001209700000000 ] - [ -0.0001084500000000, 0.0001110200000000, -0.0003225100000000 ] - [ -0.0000228700000000, 0.0001366800000000, -0.0001344600000000 ] - [ 0.0001926200000000, 0.0001261400000000, -0.0001436400000000 ] - [ -0.0000703300000000, 0.0001011300000000, -0.0000980500000000 ] - [ -0.0000936100000000, -0.0000904000000000, -0.0001363900000000 ] - [ 0.0000329500000000, -0.0002292400000000, -0.0002398900000000 ] - [ 0.0001106900000000, -0.0000406000000000, -0.0001472100000000 ] - [ 0.0000434300000000, -0.0001190600000000, -0.0003192200000000 ] - [ -0.0000985700000000, 0.0004182300000000, -0.0000303200000000 ] - [ 0.0000479500000000, 0.0001959500000000, -0.0000426000000000 ] - [ -0.0002183900000000, -0.0001082100000000, -0.0000167800000000 ] - [ -0.0000969500000000, -0.0001510700000000, 0.0002210200000000 ] - [ 0.0002601300000000, -0.0001527100000000, -0.0000507700000000 ] - [ 0.0003315400000000, -0.0001111500000000, 0.0001459300000000 ] - [ 0.0000909900000000, -0.0000147400000000, 0.0003749800000000 ] - [ -0.0002805900000000, -0.0001645100000000, 0.0001129500000000 ] - [ 0.0003973400000000, -0.0004096600000000, 0.0003051500000000 ] - [ 0.0002935500000000, -0.0001614500000000, 0.0001246800000000 ] - [ -0.0003060600000000, 0.0007499200000000, 0.0005092300000000 ] - [ 0.0000079500000000, 0.0003252700000000, 0.0001342800000000 ] - [ -0.0004445600000000, -0.0000428900000000, -0.0001671200000000 ] - [ -0.0000389300000000, -0.0000773000000000, 0.0000051800000000 ] - [ 0.0002920600000000, -0.0001926000000000, 0.0002739700000000 ] - [ 0.0000718300000000, 0.0000240900000000, 0.0000374400000000 ] - [ -0.0001092800000000, -0.0000299500000000, 0.0001436100000000 ] - [ -0.0000674100000000, 0.0000506600000000, 0.0000071500000000 ] - [ -0.0145840800000000, -0.0026288500000000, -0.0026496900000000 ] - [ -0.0002870400000000, -0.0001631000000000, -0.0000803600000000 ] - [ 0.0004452400000000, 0.0012564600000000, 0.0028211800000000 ] - [ 0.0003132800000000, -0.0001810600000000, -0.0000976500000000 ] - [ 0.0001342600000000, 0.0000115500000000, 0.0011541500000000 ] - [ -0.0000028000000000, 0.0003247100000000, -0.0000684500000000 ] - [ -0.0441029400000000, -0.0010352900000000, 0.0399917100000000 ] - [ -0.0002691600000000, -0.0001190100000000, 0.0001467100000000 ] - [ 0.0016304900000000, 0.0003173600000000, 0.0000784700000000 ] - [ 0.0002348900000000, -0.0001617200000000, 0.0001156400000000 ] - [ -0.0002722400000000, 0.0003308400000000, 0.0007465900000000 ] - [ 0.0000598300000000, 0.0002957200000000, 0.0001221100000000 ] - [ 0.0003903500000000, -0.0005983600000000, -0.0012749000000000 ] - [ -0.0000150600000000, -0.0000449400000000, 0.0000133100000000 ] - [ 0.0001388500000000, 0.0004009400000000, 0.0001724100000000 ] - [ 0.0000342600000000, 0.0000052400000000, 0.0000016700000000 ] - [ 0.0003208400000000, -0.0005095100000000, 0.0004718200000000 ] - [ -0.0000283300000000, 0.0000388100000000, 0.0000144600000000 ] - [ 0.0000501800000000, -0.0001371200000000, 0.0002076800000000 ] - [ -0.0002713200000000, -0.0001983600000000, -0.0000300400000000 ] - [ -0.0015334200000000, -0.0005823400000000, 0.0017472600000000 ] - [ 0.0003040200000000, -0.0001577000000000, -0.0000353400000000 ] - [ 0.0006347800000000, 0.0002080400000000, 0.0001588200000000 ] - [ -0.0000265300000000, 0.0003294700000000, -0.0000029800000000 ] - [ -0.0001716700000000, -0.0002524200000000, 0.0001664800000000 ] - [ -0.0002821300000000, -0.0001212800000000, 0.0001735100000000 ] - [ 0.0002683400000000, -0.0001328500000000, 0.0001003700000000 ] - [ 0.0000769900000000, -0.0003282300000000, 0.0001527700000000 ] - [ 0.0000003200000000, 0.0003076100000000, 0.0001738500000000 ] - [ -0.0000629000000000, 0.0002559100000000, 0.0001586700000000 ] - [ -0.0001766300000000, -0.0003928100000000, -0.0004640100000000 ] - [ -0.0000742600000000, -0.0000092300000000, -0.0000035600000000 ] - [ 0.0000976900000000, 0.0000380700000000, 0.0001579600000000 ] - [ -0.0000959300000000, 0.0004610700000000, -0.0002862900000000 ] - [ -0.0000702200000000, 0.0001910100000000, 0.0000498100000000 ] - [ -0.0005760900000000, -0.0001031400000000, 0.0007008100000000 ] - [ -0.0003999600000000, -0.0001637400000000, 0.0001125100000000 ] - [ -0.0002982400000000, -0.0002235900000000, -0.0001297100000000 ] - [ 0.0003063000000000, -0.0001750300000000, 0.0000673000000000 ] - [ 0.0002990700000000, -0.0000567000000000, -0.0000515200000000 ] - [ -0.0000176100000000, 0.0003888900000000, 0.0000672900000000 ] - [ 0.0000595300000000, 0.0003312700000000, -0.0000140400000000 ] - [ 0.0001191000000000, -0.0000632300000000, 0.0026045100000000 ] - [ -0.0000731200000000, -0.0001148100000000, 0.0005811800000000 ] - [ -0.0002223700000000, -0.0000252200000000, 0.0002548900000000 ] - [ 0.0000782700000000, 0.0000004300000000, 0.0004488100000000 ] - [ -0.0000460400000000, 0.0006993100000000, 0.0000959900000000 ] - [ 0.0000108900000000, -0.0000055400000000, 0.0006433800000000 ] - [ 0.0024915900000000, -0.0003300400000000, -0.0064178000000000 ] - [ -0.0000582400000000, 0.0000308700000000, -0.0001411600000000 ] - [ -0.0014684600000000, -0.0008151000000000, -0.0009723300000000 ] - [ -0.0000056100000000, 0.0000168300000000, -0.0001358400000000 ] - [ 0.0000349200000000, 0.0000136700000000, -0.0002024300000000 ] - [ -0.0000207400000000, 0.0001125300000000, -0.0001068700000000 ]- atom: 7 displacement: [ -0.0049999999944369, 0.0086602540410562, 0.0000000000000000 ] forces: - [ 0.0001973200000000, 0.0003237500000000, 0.0000191200000000 ] - [ 0.0000505800000000, 0.0001738500000000, 0.0000896400000000 ] - [ -0.0008688700000000, 0.0004594500000000, 0.0002307100000000 ] - [ -0.0001823300000000, -0.0000437100000000, 0.0000890300000000 ] - [ 0.0011414500000000, -0.0014641300000000, -0.0035140000000000 ] - [ 0.0001230600000000, -0.0001307600000000, 0.0000935400000000 ] - [ 0.0197064500000000, -0.0493436600000000, -0.0578660700000000 ] - [ -0.0001226700000000, -0.0000579900000000, 0.0000399100000000 ] - [ 0.0001403900000000, -0.0006073000000000, -0.0012026300000000 ] - [ 0.0001120400000000, -0.0000783900000000, 0.0000462100000000 ] - [ 0.0004534000000000, 0.0017658900000000, -0.0005666700000000 ] - [ 0.0000111900000000, 0.0001374100000000, 0.0000432800000000 ] - [ -0.0012482900000000, 0.0002212900000000, 0.0007789500000000 ] - [ -0.0000632100000000, 0.0001107000000000, -0.0000784200000000 ] - [ -0.0000423200000000, -0.0005350700000000, -0.0002856400000000 ] - [ -0.0000693300000000, -0.0001020500000000, -0.0000966300000000 ] - [ 0.0006065900000000, 0.0008177000000000, -0.0000351900000000 ] - [ 0.0001283100000000, -0.0000007300000000, -0.0001136500000000 ] - [ -0.0002283400000000, 0.0004796600000000, -0.0000178200000000 ] - [ 0.0000292500000000, 0.0002247700000000, 0.0000103600000000 ] - [ -0.0002729000000000, 0.0001405700000000, -0.0002123800000000 ] - [ -0.0002155100000000, -0.0000999900000000, 0.0000094200000000 ] - [ 0.0007011000000000, -0.0001214100000000, -0.0002463700000000 ] - [ 0.0001998700000000, -0.0001254800000000, 0.0000184200000000 ] - [ 0.0031976900000000, 0.0006000700000000, 0.0016223400000000 ] - [ 0.0000675600000000, 0.0001773600000000, 0.0000990200000000 ] - [ -0.0003710600000000, -0.0001119800000000, 0.0000222600000000 ] - [ -0.0001865900000000, -0.0000335200000000, 0.0000945700000000 ] - [ -0.0001003900000000, 0.0013093400000000, -0.0001292600000000 ] - [ 0.0001158100000000, -0.0001337400000000, 0.0000990900000000 ] - [ -0.0001338900000000, -0.0000723800000000, -0.0000138300000000 ] - [ -0.0000638400000000, -0.0000398800000000, -0.0003224100000000 ] - [ 0.0001215300000000, -0.0000719200000000, 0.0000516600000000 ] - [ 0.0002820200000000, 0.0001218900000000, -0.0000872500000000 ] - [ 0.0000017300000000, 0.0001506400000000, -0.0000249000000000 ] - [ -0.0000462900000000, 0.0001312300000000, -0.0004408800000000 ] - [ -0.0013850500000000, -0.0000314900000000, 0.0000187100000000 ] - [ -0.0000804800000000, 0.0001034100000000, -0.0000982500000000 ] - [ 0.0001037000000000, 0.0003368400000000, -0.0000791900000000 ] - [ -0.0000462600000000, -0.0001194100000000, -0.0000933000000000 ] - [ -0.0003370900000000, -0.0003474400000000, -0.0005189200000000 ] - [ 0.0001282500000000, 0.0000170200000000, -0.0000954900000000 ] - [ -0.0031847200000000, 0.0047879000000000, 0.0062260200000000 ] - [ 0.0000236000000000, 0.0002293200000000, 0.0000142400000000 ] - [ -0.0001362000000000, -0.0000962600000000, -0.0001606800000000 ] - [ -0.0002083400000000, -0.0000993200000000, 0.0000231700000000 ] - [ -0.0006873200000000, 0.0005742300000000, -0.0006197200000000 ] - [ 0.0001831400000000, -0.0001346400000000, 0.0000193900000000 ] - [ 0.0000161500000000, 0.0002084400000000, 0.0000754200000000 ] - [ -0.0000263700000000, 0.0001510700000000, 0.0000413400000000 ] - [ -0.0001256500000000, -0.0001809600000000, 0.0001196300000000 ] - [ -0.0002549100000000, 0.0001217900000000, 0.0001796800000000 ] - [ 0.0001250000000000, -0.0001130500000000, 0.0000790900000000 ] - [ 0.0001185900000000, -0.0001137200000000, 0.0000640800000000 ] - [ -0.0001112300000000, -0.0000712400000000, -0.0002267100000000 ] - [ -0.0001279400000000, -0.0000725200000000, -0.0000216500000000 ] - [ 0.0001355800000000, -0.0000212800000000, -0.0001896900000000 ] - [ 0.0001185400000000, -0.0000680300000000, -0.0000288000000000 ] - [ -0.0002550100000000, -0.0001519500000000, -0.0008768700000000 ] - [ -0.0000030400000000, 0.0001310100000000, -0.0000081000000000 ] - [ 0.0001328700000000, 0.0001236300000000, -0.0001241500000000 ] - [ -0.0000118000000000, 0.0001105200000000, -0.0001295300000000 ] - [ -0.0001450900000000, -0.0000013600000000, -0.0001046300000000 ] - [ 0.0000926700000000, -0.0005672200000000, -0.0003999400000000 ] - [ 0.0001103900000000, -0.0001310900000000, -0.0000825800000000 ] - [ 0.0001204800000000, 0.0002256700000000, 0.0000007400000000 ] - [ -0.0000581600000000, 0.0003891800000000, 0.0000170800000000 ] - [ 0.0000637800000000, 0.0002532000000000, -0.0000815600000000 ] - [ -0.0002795400000000, -0.0001441600000000, 0.0000943800000000 ] - [ 0.0000737600000000, -0.0000991800000000, 0.0004357000000000 ] - [ 0.0002788500000000, -0.0001481000000000, -0.0000221700000000 ] - [ -0.0000505300000000, -0.0002438300000000, -0.0000535700000000 ] - [ -0.0002255900000000, -0.0004631500000000, 0.0003299000000000 ] - [ -0.0002721000000000, -0.0001560900000000, 0.0000137900000000 ] - [ 0.0008245400000000, -0.0006680500000000, 0.0003056600000000 ] - [ 0.0002867200000000, -0.0001590700000000, 0.0000237400000000 ] - [ -0.0003334500000000, 0.0016335200000000, 0.0018042000000000 ] - [ -0.0000004600000000, 0.0003182500000000, 0.0000116400000000 ] - [ 0.0006716000000000, -0.0000732500000000, -0.0000692900000000 ] - [ -0.0000624600000000, -0.0000884000000000, -0.0001127600000000 ] - [ 0.0000607900000000, 0.0001615400000000, 0.0003925700000000 ] - [ 0.0001096900000000, 0.0000058400000000, -0.0000754700000000 ] - [ -0.0005853800000000, -0.0004633700000000, 0.0002422600000000 ] - [ -0.0000837500000000, 0.0000553400000000, -0.0000829100000000 ] - [ -0.0062961200000000, 0.0078439600000000, -0.0087553300000000 ] - [ -0.0002972900000000, -0.0001999100000000, -0.0002379500000000 ] - [ -0.0009473500000000, 0.0008830500000000, 0.0014345600000000 ] - [ 0.0003698200000000, -0.0001846100000000, -0.0002757800000000 ] - [ -0.0000191700000000, -0.0011960900000000, 0.0000698300000000 ] - [ -0.0000368300000000, 0.0004075600000000, -0.0002641700000000 ] - [ -0.0154663400000000, 0.0361170000000000, 0.0620862300000000 ] - [ -0.0002741100000000, -0.0001265400000000, -0.0000252000000000 ] - [ 0.0003883200000000, 0.0004633200000000, 0.0009260100000000 ] - [ 0.0002488900000000, -0.0001622700000000, -0.0000391200000000 ] - [ 0.0000815500000000, -0.0013715100000000, 0.0015538700000000 ] - [ 0.0000336100000000, 0.0002931400000000, -0.0000413800000000 ] - [ 0.0013652800000000, -0.0014075200000000, -0.0015805700000000 ] - [ -0.0000132400000000, -0.0000552600000000, -0.0000914600000000 ] - [ -0.0000437500000000, -0.0004383100000000, 0.0002561300000000 ] - [ 0.0000466700000000, 0.0000188300000000, -0.0000992800000000 ] - [ 0.0008805400000000, -0.0005689000000000, 0.0007214400000000 ] - [ -0.0000378200000000, 0.0000361400000000, -0.0000895100000000 ] - [ 0.0002012800000000, -0.0009698100000000, 0.0001901500000000 ] - [ -0.0002787000000000, -0.0002102100000000, -0.0001634800000000 ] - [ -0.0020424000000000, -0.0009053500000000, 0.0004559400000000 ] - [ 0.0003327100000000, -0.0001444300000000, -0.0002101200000000 ] - [ 0.0001072800000000, 0.0007026900000000, 0.0002666200000000 ] - [ -0.0000337900000000, 0.0003459900000000, -0.0001564500000000 ] - [ -0.0001860500000000, -0.0002489500000000, 0.0000306600000000 ] - [ -0.0002786100000000, -0.0001779300000000, 0.0002076400000000 ] - [ 0.0002993600000000, -0.0000326600000000, -0.0001170300000000 ] - [ 0.0000796100000000, -0.0003896900000000, -0.0001341800000000 ] - [ -0.0000105700000000, 0.0002999500000000, 0.0000054800000000 ] - [ 0.0001408600000000, 0.0003105100000000, 0.0002369600000000 ] - [ -0.0001697100000000, -0.0003001900000000, -0.0003849100000000 ] - [ -0.0001134400000000, 0.0000408700000000, 0.0001776400000000 ] - [ 0.0001714900000000, -0.0000301400000000, -0.0001305600000000 ] - [ -0.0005679100000000, 0.0013697600000000, -0.0008795300000000 ] - [ -0.0001194500000000, 0.0001952700000000, -0.0000937300000000 ] - [ 0.0005103700000000, -0.0000594700000000, -0.0003222700000000 ] - [ -0.0003909200000000, -0.0002303100000000, -0.0000375200000000 ] - [ -0.0003886400000000, -0.0002848700000000, -0.0002022800000000 ] - [ 0.0004003400000000, -0.0002417900000000, -0.0000726900000000 ] - [ 0.0002564000000000, 0.0000968400000000, -0.0000730000000000 ] - [ 0.0000323400000000, 0.0004757800000000, 0.0003310200000000 ] - [ 0.0000084700000000, 0.0000539900000000, -0.0000173600000000 ] - [ -0.0002024400000000, -0.0029163600000000, -0.0019116500000000 ] - [ 0.0000029200000000, -0.0000535700000000, 0.0008166000000000 ] - [ -0.0002761200000000, -0.0001767100000000, 0.0003639700000000 ] - [ 0.0001328600000000, 0.0000430600000000, 0.0006167800000000 ] - [ -0.0003254200000000, 0.0018328900000000, -0.0003998600000000 ] - [ 0.0000083000000000, -0.0000007900000000, 0.0008410500000000 ] - [ 0.0042533500000000, 0.0025917700000000, 0.0023133600000000 ] - [ -0.0000703800000000, -0.0000653300000000, 0.0002886800000000 ] - [ 0.0006960500000000, -0.0008911400000000, -0.0016934700000000 ] - [ -0.0000183600000000, 0.0000103100000000, 0.0001297100000000 ] - [ -0.0000384700000000, 0.0001088700000000, 0.0000259700000000 ] - [ 0.0000224300000000, 0.0004174900000000, -0.0002264700000000 ]- atom: 7 displacement: [ 0.0049999999944369, -0.0086602540410562, 0.0000000000000000 ] forces: - [ -0.0001008800000000, 0.0000351300000000, 0.0000734800000000 ] - [ 0.0000396800000000, 0.0001803800000000, 0.0000020900000000 ] - [ 0.0004990600000000, -0.0005493200000000, -0.0001391800000000 ] - [ -0.0001825100000000, -0.0000464800000000, 0.0000032100000000 ] - [ -0.0008653200000000, 0.0012121400000000, 0.0036013300000000 ] - [ 0.0001357100000000, -0.0001227900000000, -0.0000032400000000 ] - [ -0.0206439600000000, 0.0505229800000000, 0.0579072400000000 ] - [ -0.0000869100000000, -0.0001520100000000, -0.0005107500000000 ] - [ 0.0001572200000000, 0.0005370900000000, 0.0007346900000000 ] - [ 0.0001719400000000, 0.0000041400000000, -0.0005178500000000 ] - [ -0.0005462000000000, -0.0014923100000000, 0.0000876800000000 ] - [ -0.0000902000000000, 0.0001481700000000, -0.0005160000000000 ] - [ 0.0011241100000000, -0.0000022400000000, -0.0010834400000000 ] - [ -0.0000556400000000, 0.0001012200000000, -0.0002155300000000 ] - [ -0.0000747700000000, 0.0003096500000000, -0.0000044700000000 ] - [ -0.0000486900000000, -0.0001160800000000, -0.0001941400000000 ] - [ -0.0003614700000000, -0.0008169200000000, -0.0002574600000000 ] - [ 0.0001182000000000, 0.0000024000000000, -0.0001783900000000 ] - [ 0.0002691600000000, -0.0000283600000000, -0.0000646600000000 ] - [ 0.0000092100000000, 0.0002269400000000, -0.0000920000000000 ] - [ -0.0001401600000000, -0.0003329700000000, 0.0001288800000000 ] - [ -0.0001944100000000, -0.0000909600000000, -0.0000906300000000 ] - [ -0.0003206200000000, -0.0001372400000000, 0.0001651300000000 ] - [ 0.0001722100000000, -0.0001340200000000, -0.0000999100000000 ] - [ -0.0031043700000000, -0.0003111100000000, -0.0015771800000000 ] - [ 0.0000229600000000, 0.0001789400000000, 0.0000002100000000 ] - [ 0.0000119600000000, 0.0000138600000000, 0.0000774300000000 ] - [ -0.0001760700000000, -0.0000599100000000, 0.0000047200000000 ] - [ 0.0003646600000000, -0.0015775200000000, 0.0002290400000000 ] - [ 0.0001447100000000, -0.0001206800000000, -0.0000011500000000 ] - [ -0.0000837100000000, -0.0001328300000000, -0.0004717200000000 ] - [ -0.0001547200000000, -0.0001646300000000, -0.0001567400000000 ] - [ 0.0001612200000000, -0.0000114600000000, -0.0005355200000000 ] - [ -0.0000036900000000, -0.0002063300000000, -0.0004001700000000 ] - [ -0.0000733100000000, 0.0001397000000000, -0.0004624500000000 ] - [ -0.0000249800000000, 0.0001589200000000, -0.0000439100000000 ] - [ 0.0012342500000000, 0.0002287300000000, -0.0003003600000000 ] - [ -0.0000417500000000, 0.0001025300000000, -0.0001935900000000 ] - [ -0.0002117000000000, -0.0005584000000000, -0.0002061600000000 ] - [ -0.0000685500000000, -0.0000940200000000, -0.0001964000000000 ] - [ 0.0005866900000000, 0.0003620000000000, 0.0002323500000000 ] - [ 0.0001133500000000, -0.0000113100000000, -0.0001952800000000 ] - [ 0.0031257600000000, -0.0042194300000000, -0.0062252200000000 ] - [ 0.0000199900000000, 0.0002348900000000, -0.0000934800000000 ] - [ -0.0002845400000000, -0.0000878400000000, 0.0000830800000000 ] - [ -0.0002154400000000, -0.0000945400000000, -0.0001018700000000 ] - [ 0.0010736800000000, -0.0008508700000000, 0.0005475700000000 ] - [ 0.0001982700000000, -0.0001347400000000, -0.0000981300000000 ] - [ 0.0000666300000000, 0.0001349400000000, 0.0000182200000000 ] - [ 0.0001074600000000, 0.0001907100000000, 0.0000526800000000 ] - [ -0.0002188300000000, 0.0000855300000000, -0.0000272100000000 ] - [ -0.0000918500000000, -0.0002185600000000, -0.0000901600000000 ] - [ 0.0001286000000000, -0.0001283700000000, 0.0000139600000000 ] - [ 0.0001351200000000, -0.0001257600000000, 0.0000284100000000 ] - [ -0.0001023600000000, -0.0001383600000000, -0.0002407100000000 ] - [ -0.0000863800000000, -0.0001377800000000, -0.0004429100000000 ] - [ 0.0001513700000000, -0.0000548900000000, -0.0002829900000000 ] - [ 0.0001675600000000, -0.0000096900000000, -0.0004371500000000 ] - [ 0.0001721300000000, 0.0004426000000000, 0.0003935300000000 ] - [ -0.0000752400000000, 0.0001588000000000, -0.0004630800000000 ] - [ -0.0002691300000000, 0.0000829400000000, -0.0001736000000000 ] - [ -0.0001251400000000, 0.0000958700000000, -0.0001692500000000 ] - [ 0.0000346400000000, -0.0002201400000000, -0.0001926500000000 ] - [ -0.0002017400000000, 0.0003440900000000, 0.0001031700000000 ] - [ 0.0001367200000000, 0.0001473000000000, -0.0002155900000000 ] - [ 0.0001294900000000, -0.0002147200000000, -0.0003065300000000 ] - [ 0.0000961500000000, 0.0000778400000000, -0.0000900300000000 ] - [ -0.0000268300000000, 0.0002137600000000, 0.0000092300000000 ] - [ -0.0001441700000000, -0.0000564000000000, -0.0001658400000000 ] - [ -0.0004983100000000, -0.0000934900000000, -0.0005096300000000 ] - [ 0.0001077300000000, -0.0001181900000000, -0.0000498300000000 ] - [ 0.0004432200000000, -0.0000220300000000, -0.0000158400000000 ] - [ -0.0003420300000000, 0.0001558400000000, 0.0001332300000000 ] - [ -0.0002891400000000, -0.0001449700000000, 0.0004463000000000 ] - [ -0.0002609400000000, 0.0003175500000000, 0.0001568200000000 ] - [ 0.0002719200000000, -0.0001886100000000, 0.0004312900000000 ] - [ 0.0003561100000000, -0.0010033700000000, -0.0013351500000000 ] - [ 0.0000280500000000, 0.0003165500000000, 0.0004491600000000 ] - [ -0.0007280000000000, -0.0000696400000000, 0.0002524400000000 ] - [ -0.0000006300000000, -0.0000533100000000, 0.0002941100000000 ] - [ 0.0000886500000000, -0.0001301000000000, -0.0002104900000000 ] - [ 0.0000382200000000, 0.0000197700000000, 0.0002591500000000 ] - [ 0.0004828900000000, 0.0005849600000000, -0.0000570300000000 ] - [ -0.0000146500000000, 0.0000653900000000, 0.0002687900000000 ] - [ 0.0057822500000000, -0.0082839500000000, 0.0089146300000000 ] - [ -0.0002773700000000, -0.0001178400000000, 0.0002706000000000 ] - [ 0.0015009800000000, -0.0012163900000000, -0.0014042500000000 ] - [ 0.0001954700000000, -0.0001583900000000, 0.0003061400000000 ] - [ 0.0000487700000000, 0.0018552200000000, -0.0000270400000000 ] - [ 0.0000481900000000, 0.0002508000000000, 0.0002957300000000 ] - [ 0.0156584500000000, -0.0376682100000000, -0.0622050900000000 ] - [ -0.0002762800000000, -0.0001100400000000, 0.0005184100000000 ] - [ 0.0000931600000000, -0.0008348300000000, -0.0004375900000000 ] - [ 0.0002443200000000, -0.0002045800000000, 0.0005263500000000 ] - [ -0.0000011200000000, 0.0019690300000000, -0.0010631800000000 ] - [ 0.0000414900000000, 0.0002991900000000, 0.0005309100000000 ] - [ -0.0013568500000000, 0.0012722400000000, 0.0017151300000000 ] - [ -0.0000260000000000, -0.0000401000000000, 0.0002474500000000 ] - [ 0.0001308800000000, 0.0004533400000000, -0.0001027100000000 ] - [ 0.0000524300000000, 0.0000001600000000, 0.0002588700000000 ] - [ -0.0009606900000000, 0.0006432000000000, -0.0005693600000000 ] - [ -0.0000328800000000, 0.0000421400000000, 0.0002502800000000 ] - [ -0.0007119000000000, 0.0006389200000000, -0.0000729900000000 ] - [ -0.0002560200000000, -0.0001323000000000, 0.0002806600000000 ] - [ 0.0026503500000000, 0.0006323900000000, -0.0003467700000000 ] - [ 0.0002375100000000, -0.0001515300000000, 0.0003240800000000 ] - [ -0.0001388600000000, -0.0000680200000000, -0.0001526100000000 ] - [ 0.0000056900000000, 0.0002915300000000, 0.0002724100000000 ] - [ -0.0003330300000000, -0.0000402400000000, 0.0003353600000000 ] - [ -0.0002377300000000, -0.0001096100000000, 0.0001529600000000 ] - [ 0.0002196100000000, -0.0002768300000000, 0.0004746100000000 ] - [ 0.0004443400000000, 0.0000780100000000, 0.0004971600000000 ] - [ 0.0000246900000000, 0.0002914700000000, 0.0003565000000000 ] - [ -0.0001297300000000, 0.0002788900000000, 0.0001245200000000 ] - [ 0.0001196700000000, 0.0001697400000000, 0.0006247000000000 ] - [ 0.0000647400000000, -0.0001718800000000, 0.0000662400000000 ] - [ -0.0000356600000000, 0.0000518900000000, 0.0003773000000000 ] - [ 0.0007048100000000, -0.0013516300000000, 0.0011193200000000 ] - [ 0.0000283200000000, -0.0000875000000000, 0.0003430700000000 ] - [ -0.0006209600000000, 0.0001653700000000, 0.0005884700000000 ] - [ -0.0001401700000000, -0.0001185200000000, 0.0001260700000000 ] - [ -0.0001428600000000, -0.0000642500000000, 0.0002866500000000 ] - [ 0.0001665600000000, -0.0000463300000000, 0.0001630600000000 ] - [ 0.0003100200000000, -0.0003827000000000, 0.0001583300000000 ] - [ -0.0000683100000000, 0.0001583300000000, -0.0002369000000000 ] - [ -0.0000481300000000, 0.0005926200000000, 0.0001040700000000 ] - [ 0.0001858500000000, 0.0029647300000000, 0.0025174800000000 ] - [ 0.0000004000000000, 0.0000548000000000, -0.0001922200000000 ] - [ 0.0002692000000000, 0.0001784500000000, 0.0002385200000000 ] - [ -0.0001407200000000, -0.0000402300000000, -0.0000148500000000 ] - [ 0.0003473600000000, -0.0018153600000000, 0.0013908200000000 ] - [ 0.0000057300000000, -0.0000040900000000, 0.0001568500000000 ] - [ -0.0042821600000000, -0.0025936000000000, -0.0029490800000000 ] - [ 0.0000667500000000, 0.0000658400000000, -0.0009010500000000 ] - [ -0.0007343100000000, 0.0008875900000000, 0.0010744800000000 ] - [ 0.0000124000000000, -0.0000095600000000, -0.0007531900000000 ] - [ 0.0000391100000000, -0.0001084100000000, -0.0006600600000000 ] - [ -0.0000144800000000, -0.0004275200000000, -0.0003853000000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0019450700000000, 0.0016261700000000, -0.0002597000000000 ] - [ 0.0000882400000000, 0.0001674800000000, 0.0002962500000000 ] - [ -0.0021907700000000, 0.0011580400000000, -0.0002006000000000 ] - [ -0.0002111100000000, -0.0000059600000000, 0.0002942400000000 ] - [ 0.0003787900000000, -0.0099105400000000, 0.0010037600000000 ] - [ 0.0001023400000000, -0.0002194000000000, 0.0003185300000000 ] - [ 0.0146944400000000, -0.0627471400000000, -0.2471667700000000 ] - [ -0.0002085700000000, 0.0001498600000000, 0.0013064700000000 ] - [ -0.0000758900000000, 0.0004697600000000, -0.0070835100000000 ] - [ -0.0000255700000000, -0.0002600700000000, 0.0013153300000000 ] - [ -0.0010004600000000, -0.0002068800000000, -0.0070899700000000 ] - [ 0.0002397400000000, 0.0001140400000000, 0.0013148100000000 ] - [ -0.0095294200000000, 0.0000828000000000, 0.0000676300000000 ] - [ -0.0000699700000000, 0.0001241800000000, 0.0001746800000000 ] - [ 0.0011666100000000, -0.0021041400000000, -0.0000154500000000 ] - [ -0.0000948900000000, -0.0001149500000000, 0.0001442900000000 ] - [ 0.0012482500000000, 0.0019703500000000, -0.0000232900000000 ] - [ 0.0001491400000000, 0.0000053100000000, 0.0000801100000000 ] - [ -0.0002999200000000, 0.0010829400000000, -0.0006044000000000 ] - [ 0.0000388300000000, 0.0002473900000000, 0.0002488900000000 ] - [ -0.0001462800000000, -0.0000458800000000, -0.0005970100000000 ] - [ -0.0002606400000000, -0.0001232500000000, 0.0002586400000000 ] - [ -0.0005300800000000, -0.0005223400000000, -0.0004951500000000 ] - [ 0.0002897300000000, -0.0001176100000000, 0.0002744100000000 ] - [ 0.0110483800000000, 0.0109126600000000, 0.0096022000000000 ] - [ 0.0001469800000000, 0.0001764300000000, 0.0003324500000000 ] - [ -0.0002227500000000, -0.0000697400000000, -0.0001114800000000 ] - [ -0.0002195000000000, 0.0000253500000000, 0.0003071500000000 ] - [ 0.0001998700000000, -0.0002496800000000, 0.0003733100000000 ] - [ 0.0000643400000000, -0.0001740300000000, 0.0003168700000000 ] - [ -0.0002334800000000, 0.0000665200000000, 0.0009570000000000 ] - [ 0.0000562200000000, 0.0000010600000000, -0.0001798500000000 ] - [ 0.0000164300000000, -0.0002297700000000, 0.0013041400000000 ] - [ 0.0006801200000000, 0.0003715200000000, 0.0004946900000000 ] - [ 0.0001664900000000, 0.0001572700000000, 0.0010117300000000 ] - [ 0.0000109800000000, 0.0000347800000000, -0.0004888100000000 ] - [ -0.0014355800000000, -0.0003366300000000, -0.0000314500000000 ] - [ -0.0001291500000000, 0.0001086300000000, 0.0001264400000000 ] - [ -0.0003771000000000, 0.0016520400000000, -0.0009000300000000 ] - [ -0.0000134800000000, -0.0001691000000000, 0.0001473200000000 ] - [ 0.0004155600000000, -0.0004231500000000, -0.0006859200000000 ] - [ 0.0001507700000000, 0.0000485400000000, 0.0001346800000000 ] - [ -0.0090101000000000, 0.0109627000000000, -0.0032125900000000 ] - [ 0.0000245300000000, 0.0002374000000000, 0.0002845900000000 ] - [ -0.0002445200000000, -0.0004465400000000, -0.0005234500000000 ] - [ -0.0002116000000000, -0.0001170500000000, 0.0003003300000000 ] - [ 0.0008886800000000, -0.0008520500000000, -0.0008572600000000 ] - [ 0.0001969200000000, -0.0001314700000000, 0.0002853800000000 ] - [ 0.0000776700000000, 0.0003300700000000, 0.0001424700000000 ] - [ -0.0000723000000000, 0.0000991200000000, 0.0001981700000000 ] - [ -0.0002247400000000, -0.0003614400000000, 0.0004656000000000 ] - [ -0.0001860400000000, 0.0003731700000000, 0.0006830600000000 ] - [ 0.0001907600000000, -0.0002155300000000, 0.0002376200000000 ] - [ 0.0000889000000000, -0.0001600200000000, 0.0002000900000000 ] - [ -0.0001022200000000, -0.0001972900000000, -0.0001730800000000 ] - [ -0.0001927500000000, 0.0001070400000000, 0.0009663900000000 ] - [ 0.0003276200000000, 0.0000816000000000, -0.0004808200000000 ] - [ -0.0000224500000000, -0.0001931300000000, 0.0010215400000000 ] - [ 0.0001166600000000, -0.0000817000000000, 0.0005004800000000 ] - [ 0.0002515200000000, 0.0000778400000000, 0.0013102000000000 ] - [ 0.0006927700000000, 0.0002323700000000, 0.0000847500000000 ] - [ -0.0001681200000000, 0.0001593600000000, -0.0000655100000000 ] - [ -0.0004450300000000, 0.0004219400000000, 0.0000861500000000 ] - [ 0.0003739900000000, -0.0012050100000000, -0.0000339400000000 ] - [ 0.0001229800000000, -0.0003423700000000, 0.0001454400000000 ] - [ 0.0000569100000000, 0.0007538900000000, 0.0011393700000000 ] - [ -0.0003891100000000, 0.0009313400000000, 0.0001141600000000 ] - [ 0.0001482400000000, 0.0002009400000000, 0.0001266300000000 ] - [ -0.0005564700000000, -0.0004036000000000, 0.0005864400000000 ] - [ 0.0003557300000000, 0.0000297600000000, 0.0010482500000000 ] - [ 0.0006750100000000, -0.0002326200000000, 0.0001696100000000 ] - [ -0.0008286900000000, -0.0003685400000000, -0.0000530000000000 ] - [ -0.0012988400000000, -0.0014900000000000, 0.0011782700000000 ] - [ -0.0002449600000000, -0.0002162900000000, -0.0009826700000000 ] - [ 0.0014170500000000, -0.0009687200000000, 0.0014908700000000 ] - [ 0.0003480000000000, -0.0001105800000000, -0.0010107300000000 ] - [ -0.0003916400000000, 0.0055801100000000, 0.0009206900000000 ] - [ -0.0001315100000000, 0.0003448800000000, -0.0012104800000000 ] - [ 0.0062387500000000, 0.0003648600000000, 0.0008173900000000 ] - [ -0.0001299600000000, -0.0001686700000000, -0.0009766500000000 ] - [ -0.0009390300000000, 0.0012297900000000, 0.0013575700000000 ] - [ 0.0002515900000000, 0.0000204500000000, -0.0009091200000000 ] - [ 0.0000206100000000, -0.0012191900000000, 0.0011326500000000 ] - [ -0.0002138800000000, 0.0000860100000000, -0.0009065300000000 ] - [ -0.0018615600000000, -0.0098381900000000, -0.0264983400000000 ] - [ -0.0003955500000000, -0.0003887600000000, -0.0014261800000000 ] - [ -0.0062342700000000, 0.0004194100000000, 0.0060393700000000 ] - [ 0.0006747300000000, -0.0001889800000000, -0.0015215700000000 ] - [ 0.0012918800000000, -0.0059429400000000, 0.0056570900000000 ] - [ -0.0001872000000000, 0.0007067200000000, -0.0015239700000000 ] - [ -0.0195952200000000, 0.0588038300000000, 0.2509289900000000 ] - [ -0.0002540000000000, -0.0001794600000000, -0.0012792600000000 ] - [ 0.0021987800000000, 0.0006824100000000, 0.0044980600000000 ] - [ 0.0002779300000000, -0.0000813300000000, -0.0012975100000000 ] - [ 0.0002683700000000, 0.0035778800000000, 0.0039396400000000 ] - [ -0.0000211900000000, 0.0002772300000000, -0.0013144500000000 ] - [ 0.0050490100000000, -0.0072321700000000, 0.0030909000000000 ] - [ -0.0000038800000000, -0.0001050600000000, -0.0009364400000000 ] - [ 0.0003225700000000, -0.0008884300000000, 0.0018278000000000 ] - [ 0.0000670300000000, 0.0000487500000000, -0.0009475400000000 ] - [ -0.0004674300000000, 0.0001723900000000, 0.0018886800000000 ] - [ -0.0000934000000000, 0.0000626900000000, -0.0009521800000000 ] - [ -0.0001518600000000, 0.0002304500000000, 0.0010790900000000 ] - [ -0.0003500300000000, -0.0003678300000000, -0.0011329100000000 ] - [ -0.0086340800000000, -0.0046332000000000, 0.0025042500000000 ] - [ 0.0005615600000000, -0.0001333800000000, -0.0013794800000000 ] - [ -0.0004591000000000, 0.0007473600000000, 0.0011000500000000 ] - [ -0.0001245400000000, 0.0005084000000000, -0.0011737500000000 ] - [ 0.0000068400000000, -0.0005886400000000, -0.0006145100000000 ] - [ -0.0003703200000000, -0.0001326800000000, -0.0001557600000000 ] - [ 0.0006271100000000, 0.0003056700000000, -0.0012485000000000 ] - [ -0.0003281500000000, -0.0007435200000000, -0.0009651100000000 ] - [ -0.0002288800000000, 0.0004007700000000, -0.0008197100000000 ] - [ 0.0005409100000000, 0.0004064200000000, -0.0000388600000000 ] - [ -0.0004911100000000, -0.0012836100000000, -0.0022793500000000 ] - [ 0.0001533600000000, 0.0002235200000000, -0.0004487700000000 ] - [ 0.0005071900000000, -0.0001838300000000, -0.0013851000000000 ] - [ -0.0007796300000000, 0.0017805000000000, -0.0025107800000000 ] - [ -0.0003937400000000, 0.0006442800000000, -0.0012001300000000 ] - [ 0.0018977000000000, 0.0002796400000000, -0.0027152500000000 ] - [ -0.0007951700000000, -0.0002536300000000, -0.0004092700000000 ] - [ -0.0004695300000000, -0.0005928200000000, -0.0009720200000000 ] - [ 0.0004540700000000, -0.0005464700000000, -0.0001690700000000 ] - [ 0.0002153100000000, 0.0003985300000000, -0.0008331100000000 ] - [ -0.0001706800000000, 0.0010824600000000, -0.0009500400000000 ] - [ 0.0000228700000000, -0.0009134300000000, -0.0011807600000000 ] - [ -0.0055331900000000, -0.0091486500000000, 0.0080221300000000 ] - [ 0.0000201800000000, -0.0001625400000000, 0.0029736400000000 ] - [ -0.0008458000000000, -0.0006677600000000, 0.0005909500000000 ] - [ 0.0003665500000000, 0.0000966100000000, 0.0021150100000000 ] - [ 0.0008407900000000, 0.0010024200000000, -0.0052596100000000 ] - [ -0.0000007500000000, 0.0000422000000000, 0.0024996600000000 ] - [ 0.0164814300000000, 0.0165857900000000, 0.0064958300000000 ] - [ -0.0001487500000000, -0.0002671100000000, 0.0028138300000000 ] - [ 0.0035096300000000, -0.0015061900000000, -0.0085076600000000 ] - [ -0.0000813200000000, 0.0000101000000000, 0.0021610800000000 ] - [ 0.0002113200000000, -0.0002358900000000, 0.0018869000000000 ] - [ 0.0000195900000000, 0.0018444500000000, 0.0000630800000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0018921200000000, -0.0013016000000000, 0.0003569800000000 ] - [ -0.0000001000000000, 0.0001862800000000, -0.0002099200000000 ] - [ 0.0018668700000000, -0.0012728900000000, 0.0002974700000000 ] - [ -0.0001522200000000, -0.0000854600000000, -0.0002072700000000 ] - [ -0.0001280000000000, 0.0098852100000000, -0.0009171200000000 ] - [ 0.0001569100000000, -0.0000312500000000, -0.0002339000000000 ] - [ -0.0118655500000000, 0.0558908800000000, 0.2248026600000000 ] - [ 0.0000007900000000, -0.0003649800000000, -0.0018080800000000 ] - [ 0.0003744500000000, -0.0005459800000000, 0.0067419400000000 ] - [ 0.0003130900000000, 0.0001901400000000, -0.0018180700000000 ] - [ 0.0009368300000000, 0.0005025000000000, 0.0067355000000000 ] - [ -0.0003243000000000, 0.0001724500000000, -0.0018186700000000 ] - [ 0.0096255500000000, 0.0001309800000000, -0.0003586500000000 ] - [ -0.0000497100000000, 0.0000871700000000, -0.0004749100000000 ] - [ -0.0013064300000000, 0.0019247600000000, -0.0002750500000000 ] - [ -0.0000219100000000, -0.0001037600000000, -0.0004407100000000 ] - [ -0.0010251700000000, -0.0020090800000000, -0.0002719400000000 ] - [ 0.0000974200000000, -0.0000025200000000, -0.0003764900000000 ] - [ 0.0003472300000000, -0.0006542600000000, 0.0005355400000000 ] - [ -0.0000003500000000, 0.0002031100000000, -0.0003363800000000 ] - [ -0.0002634900000000, -0.0001453200000000, 0.0005281900000000 ] - [ -0.0001478100000000, -0.0000663600000000, -0.0003458200000000 ] - [ 0.0009122800000000, 0.0002702200000000, 0.0004246600000000 ] - [ 0.0000794300000000, -0.0001419600000000, -0.0003620100000000 ] - [ -0.0112399200000000, -0.0105990000000000, -0.0093458900000000 ] - [ -0.0000592300000000, 0.0001797400000000, -0.0002390900000000 ] - [ -0.0001368100000000, -0.0000214600000000, 0.0002158600000000 ] - [ -0.0001418000000000, -0.0001206600000000, -0.0002132500000000 ] - [ 0.0000617400000000, -0.0000170800000000, -0.0002730700000000 ] - [ 0.0001977400000000, -0.0000787600000000, -0.0002246300000000 ] - [ 0.0000181500000000, -0.0002750300000000, -0.0014658200000000 ] - [ -0.0002773400000000, -0.0002074800000000, -0.0002996400000000 ] - [ 0.0002689800000000, 0.0001497200000000, -0.0018186900000000 ] - [ -0.0004110500000000, -0.0004658400000000, -0.0009851400000000 ] - [ -0.0002420100000000, 0.0001330700000000, -0.0015239700000000 ] - [ -0.0000819100000000, 0.0002578100000000, 0.0000121200000000 ] - [ 0.0013450300000000, 0.0005489000000000, -0.0002622000000000 ] - [ 0.0000076700000000, 0.0000972000000000, -0.0004236600000000 ] - [ 0.0002662900000000, -0.0018996900000000, 0.0006230200000000 ] - [ -0.0001018900000000, -0.0000436100000000, -0.0004428300000000 ] - [ -0.0001761300000000, 0.0004400800000000, 0.0004066500000000 ] - [ 0.0000904700000000, -0.0000431800000000, -0.0004309800000000 ] - [ 0.0092154000000000, -0.0107044600000000, 0.0031472400000000 ] - [ 0.0000190800000000, 0.0002266400000000, -0.0003702900000000 ] - [ -0.0001773100000000, 0.0002615500000000, 0.0004552000000000 ] - [ -0.0002121700000000, -0.0000761600000000, -0.0003860600000000 ] - [ -0.0005137700000000, 0.0005919100000000, 0.0007923500000000 ] - [ 0.0001843800000000, -0.0001379000000000, -0.0003707000000000 ] - [ 0.0000046300000000, 0.0000100800000000, -0.0000503500000000 ] - [ 0.0001562700000000, 0.0002446400000000, -0.0001073500000000 ] - [ -0.0001199700000000, 0.0002733000000000, -0.0003808400000000 ] - [ -0.0001619500000000, -0.0004767900000000, -0.0006040700000000 ] - [ 0.0000615900000000, -0.0000243000000000, -0.0001487800000000 ] - [ 0.0001655000000000, -0.0000793600000000, -0.0001104500000000 ] - [ -0.0001115600000000, -0.0000116000000000, -0.0002943700000000 ] - [ -0.0000198300000000, -0.0003214800000000, -0.0014554500000000 ] - [ -0.0000450300000000, -0.0001614400000000, 0.0000185400000000 ] - [ 0.0003120400000000, 0.0001186000000000, -0.0015131500000000 ] - [ -0.0001965600000000, 0.0003769400000000, -0.0009813900000000 ] - [ -0.0003354800000000, 0.0002136100000000, -0.0018116600000000 ] - [ -0.0008494900000000, -0.0000287400000000, -0.0003863600000000 ] - [ 0.0000304200000000, 0.0000460300000000, -0.0002340500000000 ] - [ 0.0003445200000000, -0.0006575800000000, -0.0003875000000000 ] - [ -0.0004919700000000, 0.0010058500000000, -0.0002613200000000 ] - [ 0.0001262400000000, 0.0003690700000000, -0.0004479400000000 ] - [ 0.0001930500000000, -0.0007559200000000, -0.0014683000000000 ] - [ 0.0004374600000000, -0.0004814100000000, -0.0001892600000000 ] - [ -0.0001129500000000, 0.0002665100000000, -0.0002018400000000 ] - [ 0.0001404000000000, 0.0002110900000000, -0.0006713100000000 ] - [ -0.0007934700000000, -0.0002288100000000, -0.0011452000000000 ] - [ -0.0002992500000000, -0.0000312700000000, -0.0002459600000000 ] - [ 0.0012432600000000, 0.0001083400000000, -0.0000151700000000 ] - [ 0.0007528000000000, 0.0012179100000000, -0.0007332700000000 ] - [ -0.0003180600000000, -0.0000826300000000, 0.0014691300000000 ] - [ -0.0008807900000000, 0.0006352100000000, -0.0010585300000000 ] - [ 0.0002094700000000, -0.0002399500000000, 0.0014925600000000 ] - [ 0.0004299400000000, -0.0050596800000000, -0.0004795300000000 ] - [ 0.0001631200000000, 0.0002901900000000, 0.0017014000000000 ] - [ -0.0064414800000000, -0.0005121200000000, -0.0006516800000000 ] - [ 0.0000690600000000, 0.0000304700000000, 0.0011785200000000 ] - [ 0.0011033400000000, -0.0012287500000000, -0.0012012300000000 ] - [ -0.0001082400000000, 0.0000046600000000, 0.0011121500000000 ] - [ -0.0001168100000000, 0.0013648200000000, -0.0009684200000000 ] - [ 0.0001193500000000, 0.0000330800000000, 0.0011113700000000 ] - [ 0.0012348800000000, 0.0098448800000000, 0.0274336100000000 ] - [ -0.0001753700000000, 0.0000770000000000, 0.0014883500000000 ] - [ 0.0069279000000000, -0.0007726700000000, -0.0061377000000000 ] - [ -0.0001192700000000, -0.0001527800000000, 0.0015839000000000 ] - [ -0.0012997600000000, 0.0067229800000000, -0.0057300700000000 ] - [ 0.0002027100000000, -0.0000581200000000, 0.0015874800000000 ] - [ 0.0163449900000000, -0.0525952400000000, -0.2293633000000000 ] - [ -0.0002983000000000, -0.0000558400000000, 0.0018048600000000 ] - [ -0.0017381800000000, -0.0010720000000000, -0.0040928400000000 ] - [ 0.0002152200000000, -0.0002890200000000, 0.0018176100000000 ] - [ -0.0001975400000000, -0.0030076100000000, -0.0035267500000000 ] - [ 0.0000978200000000, 0.0003165100000000, 0.0018372700000000 ] - [ -0.0051752300000000, 0.0072643500000000, -0.0029796700000000 ] - [ -0.0000356300000000, 0.0000113800000000, 0.0011121300000000 ] - [ -0.0002305500000000, 0.0009246400000000, -0.0017043800000000 ] - [ 0.0000314100000000, -0.0000307200000000, 0.0011271400000000 ] - [ 0.0004009100000000, -0.0000957800000000, -0.0017652400000000 ] - [ 0.0000240600000000, 0.0000149800000000, 0.0011328100000000 ] - [ -0.0003890400000000, -0.0005712100000000, -0.0009822800000000 ] - [ -0.0001816600000000, 0.0000306000000000, 0.0012742000000000 ] - [ 0.0093422000000000, 0.0043978000000000, -0.0024430700000000 ] - [ 0.0000015400000000, -0.0001622700000000, 0.0015227200000000 ] - [ 0.0004370300000000, -0.0001200700000000, -0.0010061900000000 ] - [ 0.0000989800000000, 0.0001235600000000, 0.0013150100000000 ] - [ -0.0005342300000000, 0.0003094400000000, 0.0009969500000000 ] - [ -0.0001464100000000, -0.0001553600000000, 0.0005236200000000 ] - [ -0.0001144700000000, -0.0006270600000000, 0.0016361800000000 ] - [ 0.0008654600000000, 0.0004439100000000, 0.0013447300000000 ] - [ 0.0002486100000000, 0.0001901400000000, 0.0012034200000000 ] - [ -0.0005405200000000, 0.0001827500000000, 0.0004038900000000 ] - [ 0.0004530800000000, 0.0011837300000000, 0.0025726500000000 ] - [ -0.0002048600000000, -0.0003593100000000, 0.0007015900000000 ] - [ -0.0003817500000000, 0.0002102000000000, 0.0016620000000000 ] - [ 0.0009385500000000, -0.0018081200000000, 0.0028115200000000 ] - [ 0.0003094200000000, -0.0005531100000000, 0.0014767600000000 ] - [ -0.0020462900000000, -0.0001800100000000, 0.0030313500000000 ] - [ 0.0002790700000000, -0.0000900700000000, 0.0005075300000000 ] - [ -0.0000536200000000, 0.0002556000000000, 0.0010810100000000 ] - [ 0.0001065300000000, 0.0002689400000000, 0.0002611600000000 ] - [ 0.0003501600000000, -0.0006967400000000, 0.0009378900000000 ] - [ 0.0001362300000000, -0.0004651900000000, 0.0010537500000000 ] - [ -0.0000600900000000, 0.0015766200000000, 0.0012926500000000 ] - [ 0.0056155800000000, 0.0093673400000000, -0.0074522700000000 ] - [ -0.0000170500000000, 0.0001686600000000, -0.0024071900000000 ] - [ 0.0008576800000000, 0.0006866000000000, 0.0000043900000000 ] - [ -0.0003799800000000, -0.0000956100000000, -0.0015492200000000 ] - [ -0.0008415500000000, -0.0010372900000000, 0.0063708100000000 ] - [ 0.0000148600000000, -0.0000476300000000, -0.0015440800000000 ] - [ -0.0168851900000000, -0.0169707300000000, -0.0072815900000000 ] - [ 0.0001484200000000, 0.0002729300000000, -0.0034924800000000 ] - [ -0.0035771900000000, 0.0015326900000000, 0.0080274400000000 ] - [ 0.0000771200000000, -0.0000096300000000, -0.0028369400000000 ] - [ -0.0002151800000000, 0.0002370200000000, -0.0025663900000000 ] - [ -0.0000183900000000, -0.0018891600000000, -0.0007001300000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0049352500000000, 0.0027121000000000, 0.0008804000000000 ] - [ 0.0000706500000000, 0.0001812100000000, 0.0000392300000000 ] - [ -0.0026725400000000, 0.0011233400000000, 0.0002979300000000 ] - [ -0.0002018100000000, -0.0000253400000000, 0.0000454600000000 ] - [ 0.0004441100000000, -0.0086844000000000, 0.0004753800000000 ] - [ 0.0001235700000000, -0.0001491300000000, 0.0000397400000000 ] - [ -0.0006980800000000, -0.0018054300000000, -0.0096941200000000 ] - [ -0.0000953400000000, -0.0001032000000000, -0.0002431000000000 ] - [ 0.0008805800000000, 0.0006206400000000, -0.0025033400000000 ] - [ 0.0001280000000000, -0.0000281800000000, -0.0002500600000000 ] - [ -0.0004095100000000, 0.0007198600000000, -0.0025762300000000 ] - [ -0.0000279000000000, 0.0001342900000000, -0.0002209200000000 ] - [ -0.2917808400000000, -0.0151376500000000, 0.0633766300000000 ] - [ -0.0001196700000000, 0.0000996000000000, -0.0001574100000000 ] - [ 0.0025754600000000, -0.0026354300000000, 0.0007161100000000 ] - [ -0.0000173100000000, -0.0001621300000000, -0.0001520000000000 ] - [ 0.0022913600000000, 0.0027985500000000, 0.0006540400000000 ] - [ 0.0001478200000000, 0.0000640300000000, -0.0001431400000000 ] - [ 0.0137860400000000, -0.0046635900000000, -0.0008090100000000 ] - [ 0.0000281600000000, 0.0001977200000000, -0.0000545900000000 ] - [ -0.0001868700000000, 0.0006332900000000, -0.0000018000000000 ] - [ -0.0001816000000000, -0.0000664000000000, -0.0000483800000000 ] - [ -0.0016879700000000, -0.0003053800000000, 0.0000588500000000 ] - [ 0.0001440300000000, -0.0001290900000000, -0.0000571800000000 ] - [ -0.0020404200000000, -0.0011014200000000, -0.0002806600000000 ] - [ -0.0001190300000000, 0.0000705500000000, 0.0000051800000000 ] - [ 0.0011406400000000, -0.0006593400000000, -0.0001027300000000 ] - [ 0.0000576200000000, -0.0001466300000000, -0.0000377900000000 ] - [ -0.0000278900000000, 0.0013593600000000, -0.0002113500000000 ] - [ 0.0000808700000000, 0.0000636500000000, 0.0000504700000000 ] - [ -0.0001081900000000, -0.0000370600000000, -0.0003393100000000 ] - [ -0.0003699800000000, -0.0000225000000000, 0.0005242500000000 ] - [ 0.0004767300000000, -0.0000209700000000, -0.0008488400000000 ] - [ 0.0000658200000000, -0.0001432000000000, 0.0000640600000000 ] - [ -0.0004985900000000, 0.0002436100000000, -0.0014031700000000 ] - [ 0.0001027000000000, 0.0001093500000000, 0.0004159800000000 ] - [ 0.0010827600000000, 0.0000715200000000, -0.0004479900000000 ] - [ 0.0000377500000000, 0.0000925000000000, -0.0001627700000000 ] - [ -0.0003923700000000, 0.0001711400000000, -0.0003730500000000 ] - [ -0.0001143400000000, 0.0000309600000000, -0.0001537800000000 ] - [ 0.0000370900000000, -0.0004292200000000, 0.0006104000000000 ] - [ 0.0000205900000000, -0.0001624200000000, -0.0001941800000000 ] - [ 0.0008465700000000, -0.0009324500000000, -0.0003923400000000 ] - [ 0.0000373700000000, 0.0001769100000000, 0.0000041900000000 ] - [ 0.0001503400000000, 0.0003563400000000, 0.0000066800000000 ] - [ -0.0001513500000000, -0.0000712800000000, 0.0000031600000000 ] - [ -0.0010591600000000, -0.0001287600000000, -0.0000032700000000 ] - [ 0.0001023800000000, -0.0001249900000000, -0.0000182300000000 ] - [ -0.0000189500000000, 0.0003015600000000, 0.0001951500000000 ] - [ 0.0001778900000000, 0.0002923100000000, 0.0000871000000000 ] - [ -0.0010827700000000, 0.0000265200000000, 0.0006044100000000 ] - [ -0.0002659000000000, -0.0000527600000000, 0.0000147800000000 ] - [ 0.0011144700000000, -0.0013925100000000, -0.0006894800000000 ] - [ 0.0001633300000000, -0.0002642200000000, 0.0000517200000000 ] - [ 0.0005627700000000, -0.0012147300000000, -0.0016107800000000 ] - [ -0.0000975100000000, -0.0001213000000000, -0.0002991400000000 ] - [ -0.0000906900000000, -0.0005178400000000, -0.0000110800000000 ] - [ 0.0001529800000000, -0.0000265000000000, -0.0002862900000000 ] - [ 0.0002672000000000, -0.0003193200000000, 0.0014450100000000 ] - [ -0.0000550300000000, 0.0001559400000000, -0.0003089900000000 ] - [ 0.0010728200000000, 0.0002112100000000, -0.0001372400000000 ] - [ 0.0000302200000000, 0.0001050800000000, -0.0001945000000000 ] - [ -0.0006936700000000, 0.0000041400000000, -0.0003951200000000 ] - [ -0.0001526800000000, 0.0000548900000000, -0.0001611200000000 ] - [ 0.0000117400000000, -0.0003967500000000, 0.0000717300000000 ] - [ 0.0000841000000000, -0.0001393000000000, -0.0002867500000000 ] - [ -0.0004303300000000, 0.0010279400000000, -0.0000088200000000 ] - [ -0.0001215500000000, 0.0004440700000000, -0.0000676900000000 ] - [ -0.0013726400000000, -0.0007186100000000, -0.0004358400000000 ] - [ -0.0003513500000000, -0.0002449500000000, -0.0001195300000000 ] - [ 0.0019107300000000, -0.0000158000000000, -0.0000686300000000 ] - [ 0.0004973600000000, -0.0001235000000000, -0.0000438500000000 ] - [ -0.0070608500000000, 0.0039859300000000, -0.0007196600000000 ] - [ -0.0003043400000000, -0.0001332600000000, 0.0002880300000000 ] - [ 0.0016317000000000, -0.0004528400000000, -0.0001338800000000 ] - [ 0.0002776900000000, -0.0002022100000000, 0.0002706700000000 ] - [ 0.0003872700000000, 0.0059812400000000, -0.0011018100000000 ] - [ 0.0000409100000000, 0.0003260200000000, 0.0002858600000000 ] - [ 0.2950576600000000, 0.0079468700000000, -0.0712169500000000 ] - [ 0.0000211200000000, -0.0000294600000000, 0.0001335100000000 ] - [ -0.0032560300000000, -0.0004619100000000, -0.0005902900000000 ] - [ -0.0000026400000000, 0.0000316300000000, 0.0001265200000000 ] - [ -0.0002244600000000, -0.0038063700000000, -0.0005626300000000 ] - [ -0.0000062300000000, -0.0000022400000000, 0.0001407300000000 ] - [ -0.0253191900000000, -0.0048332700000000, 0.0002368600000000 ] - [ -0.0002375400000000, -0.0001244200000000, 0.0000641700000000 ] - [ -0.0099058600000000, -0.0013858700000000, 0.0021242000000000 ] - [ 0.0002144200000000, -0.0001379600000000, 0.0000707500000000 ] - [ 0.0002092500000000, -0.0061463700000000, 0.0022641900000000 ] - [ 0.0000078800000000, 0.0002554900000000, 0.0000527000000000 ] - [ 0.0005015300000000, 0.0019439500000000, 0.0062571100000000 ] - [ -0.0001796800000000, -0.0000107000000000, 0.0001781200000000 ] - [ -0.0010212300000000, -0.0004546700000000, 0.0018726400000000 ] - [ 0.0000514800000000, -0.0001384000000000, 0.0001601600000000 ] - [ 0.0008776800000000, -0.0009391300000000, 0.0019939100000000 ] - [ 0.0001368900000000, 0.0001852500000000, 0.0001330300000000 ] - [ -0.0012180400000000, 0.0009616600000000, 0.0005693800000000 ] - [ -0.0000816300000000, 0.0000198500000000, 0.0001062600000000 ] - [ -0.0000870300000000, -0.0001384300000000, 0.0001268600000000 ] - [ 0.0000466400000000, -0.0000908600000000, 0.0000813300000000 ] - [ 0.0007570300000000, 0.0010007400000000, -0.0010198500000000 ] - [ 0.0000603400000000, 0.0001524900000000, 0.0000706700000000 ] - [ -0.0019680300000000, -0.0021749000000000, -0.0024067500000000 ] - [ -0.0003726700000000, -0.0003528000000000, 0.0000718300000000 ] - [ 0.0027022000000000, 0.0003486200000000, -0.0009706900000000 ] - [ 0.0003433100000000, -0.0002440400000000, 0.0004761300000000 ] - [ -0.0006564400000000, 0.0008125700000000, -0.0010740100000000 ] - [ 0.0000950600000000, 0.0003031400000000, 0.0008917800000000 ] - [ -0.0001806600000000, -0.0009579300000000, 0.0003882200000000 ] - [ -0.0001227700000000, -0.0003658000000000, -0.0003969000000000 ] - [ 0.0015437200000000, -0.0007643100000000, 0.0016597100000000 ] - [ 0.0004283300000000, -0.0000115600000000, -0.0000037500000000 ] - [ -0.0020398000000000, 0.0004970100000000, 0.0030830200000000 ] - [ -0.0002378600000000, 0.0003870100000000, -0.0002508000000000 ] - [ -0.0006704800000000, -0.0012281100000000, -0.0014462100000000 ] - [ -0.0000434900000000, -0.0002859200000000, 0.0003702900000000 ] - [ 0.0014809200000000, 0.0002612900000000, -0.0006481500000000 ] - [ 0.0003322100000000, -0.0001022800000000, 0.0004857000000000 ] - [ -0.0011814500000000, 0.0006278900000000, -0.0008357900000000 ] - [ -0.0003476000000000, 0.0001571400000000, 0.0005387700000000 ] - [ -0.0008770700000000, 0.0010648800000000, 0.0012091200000000 ] - [ -0.0003063700000000, -0.0000725800000000, 0.0001419200000000 ] - [ 0.0004720800000000, 0.0001524600000000, 0.0002323200000000 ] - [ 0.0002119500000000, -0.0002845500000000, 0.0001092500000000 ] - [ 0.0002066200000000, 0.0010744500000000, -0.0012588400000000 ] - [ 0.0000401300000000, 0.0005043700000000, 0.0000670500000000 ] - [ 0.0003412000000000, 0.0007007200000000, -0.0011421200000000 ] - [ -0.0001554100000000, -0.0001443000000000, 0.0011597200000000 ] - [ 0.0035396200000000, 0.0085427500000000, -0.0052277100000000 ] - [ -0.0000706500000000, -0.0000288900000000, 0.0003445500000000 ] - [ 0.0002571400000000, -0.0026890600000000, 0.0006780900000000 ] - [ 0.0000118900000000, -0.0000114000000000, 0.0004415500000000 ] - [ 0.0166827700000000, 0.0174264600000000, 0.0113056900000000 ] - [ 0.0000120300000000, 0.0000166100000000, -0.0005931000000000 ] - [ 0.0008981400000000, 0.0035974100000000, 0.0080661100000000 ] - [ 0.0000308300000000, 0.0002662400000000, -0.0004871600000000 ] - [ -0.0000221700000000, -0.0012827300000000, -0.0006538900000000 ] - [ 0.0001019900000000, -0.0002731500000000, -0.0003200000000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0049548100000000, -0.0024059100000000, -0.0008067400000000 ] - [ 0.0000181500000000, 0.0001723800000000, 0.0000532100000000 ] - [ 0.0023635400000000, -0.0012360600000000, -0.0002130200000000 ] - [ -0.0001616600000000, -0.0000656700000000, 0.0000473300000000 ] - [ -0.0001774200000000, 0.0086335500000000, -0.0004013500000000 ] - [ 0.0001353300000000, -0.0001034600000000, 0.0000515200000000 ] - [ 0.0005154700000000, 0.0016346800000000, 0.0094618800000000 ] - [ -0.0001149000000000, -0.0001059700000000, -0.0002228500000000 ] - [ -0.0006140800000000, -0.0007099600000000, 0.0020804400000000 ] - [ 0.0001560200000000, -0.0000468700000000, -0.0002173700000000 ] - [ 0.0003382600000000, -0.0004474400000000, 0.0021501700000000 ] - [ -0.0000505400000000, 0.0001515200000000, -0.0002477200000000 ] - [ 0.2668217200000000, 0.0139846000000000, -0.0558361300000000 ] - [ 0.0000005800000000, 0.0001123200000000, -0.0001351000000000 ] - [ -0.0027565300000000, 0.0024731700000000, -0.0010270300000000 ] - [ -0.0001009500000000, -0.0000561000000000, -0.0001371200000000 ] - [ -0.0020917600000000, -0.0028576300000000, -0.0009636300000000 ] - [ 0.0000989700000000, -0.0000621800000000, -0.0001479700000000 ] - [ -0.0134999100000000, 0.0054249300000000, 0.0005219900000000 ] - [ 0.0000109000000000, 0.0002531700000000, -0.0000254800000000 ] - [ -0.0002205000000000, -0.0008425900000000, -0.0000813900000000 ] - [ -0.0002280900000000, -0.0001236700000000, -0.0000312800000000 ] - [ 0.0020964600000000, 0.0000429600000000, -0.0001432700000000 ] - [ 0.0002277100000000, -0.0001301600000000, -0.0000224600000000 ] - [ 0.0021810000000000, 0.0014880300000000, 0.0003854900000000 ] - [ 0.0002132100000000, 0.0002879400000000, 0.0000963800000000 ] - [ -0.0015301700000000, 0.0005782900000000, 0.0002054700000000 ] - [ -0.0004258200000000, 0.0000555100000000, 0.0001395200000000 ] - [ 0.0002914500000000, -0.0016442800000000, 0.0003147800000000 ] - [ 0.0001809800000000, -0.0003220900000000, 0.0000479500000000 ] - [ -0.0001100100000000, -0.0001692600000000, -0.0001411600000000 ] - [ 0.0001563300000000, -0.0001829000000000, -0.0010171200000000 ] - [ -0.0002027200000000, -0.0000637300000000, 0.0003899100000000 ] - [ 0.0002183700000000, 0.0000621800000000, -0.0005525500000000 ] - [ 0.0004376300000000, 0.0000446000000000, 0.0009440100000000 ] - [ -0.0001763200000000, 0.0001814200000000, -0.0009125200000000 ] - [ -0.0012291000000000, 0.0001347500000000, 0.0001623900000000 ] - [ -0.0001639600000000, 0.0001137500000000, -0.0001276200000000 ] - [ 0.0002860200000000, -0.0003921100000000, 0.0000884700000000 ] - [ 0.0000019900000000, -0.0002495500000000, -0.0001345600000000 ] - [ 0.0002082200000000, 0.0004451100000000, -0.0009108700000000 ] - [ 0.0002237700000000, 0.0001731200000000, -0.0000942900000000 ] - [ -0.0008213100000000, 0.0014222300000000, 0.0003221700000000 ] - [ 0.0000068400000000, 0.0002871800000000, -0.0000830500000000 ] - [ -0.0005800600000000, -0.0005583400000000, -0.0000856400000000 ] - [ -0.0002733500000000, -0.0001223200000000, -0.0000819100000000 ] - [ 0.0014607000000000, -0.0001403800000000, -0.0000757200000000 ] - [ 0.0002800100000000, -0.0001442900000000, -0.0000594000000000 ] - [ 0.0001037500000000, 0.0000393800000000, -0.0001042100000000 ] - [ -0.0000993500000000, 0.0000476500000000, 0.0000064700000000 ] - [ 0.0007632800000000, -0.0001298900000000, -0.0005183000000000 ] - [ -0.0000787500000000, -0.0000406500000000, 0.0000798900000000 ] - [ -0.0008813000000000, 0.0011787900000000, 0.0007977100000000 ] - [ 0.0000893000000000, 0.0000259000000000, 0.0000416500000000 ] - [ -0.0007917000000000, 0.0010270400000000, 0.0011695200000000 ] - [ -0.0001170000000000, -0.0000879700000000, -0.0001614700000000 ] - [ 0.0003812500000000, 0.0004523900000000, -0.0004633200000000 ] - [ 0.0001324900000000, -0.0000516200000000, -0.0001758700000000 ] - [ -0.0003505900000000, 0.0006176000000000, -0.0019535900000000 ] - [ -0.0000218100000000, 0.0001335300000000, -0.0001554500000000 ] - [ -0.0012389100000000, -0.0000079900000000, -0.0001603900000000 ] - [ -0.0001715800000000, 0.0001009400000000, -0.0001019900000000 ] - [ 0.0005958800000000, -0.0002247200000000, 0.0001073900000000 ] - [ 0.0000462100000000, -0.0002833400000000, -0.0001346200000000 ] - [ 0.0002409900000000, 0.0004256900000000, -0.0003726100000000 ] - [ 0.0001654100000000, 0.0001615900000000, -0.0000067900000000 ] - [ 0.0004807500000000, -0.0005824000000000, -0.0000634000000000 ] - [ 0.0001627900000000, 0.0000178600000000, -0.0000035900000000 ] - [ 0.0009748400000000, 0.0005349800000000, 0.0003860900000000 ] - [ -0.0000676900000000, 0.0000504700000000, 0.0000502800000000 ] - [ -0.0015636000000000, -0.0002522100000000, -0.0000022700000000 ] - [ -0.0001177400000000, -0.0001427800000000, -0.0000274100000000 ] - [ 0.0066335400000000, -0.0044003000000000, 0.0012134500000000 ] - [ -0.0002542500000000, -0.0001684200000000, 0.0001685400000000 ] - [ -0.0011014400000000, 0.0001139300000000, 0.0006021700000000 ] - [ 0.0002802900000000, -0.0001430700000000, 0.0001809500000000 ] - [ -0.0003728600000000, -0.0054746500000000, 0.0015969600000000 ] - [ -0.0000157400000000, 0.0003074400000000, 0.0001697600000000 ] - [ -0.2713283000000000, -0.0066858300000000, 0.0641217600000000 ] - [ -0.0000827700000000, -0.0001083600000000, 0.0000422600000000 ] - [ 0.0034793900000000, 0.0005117000000000, 0.0007930400000000 ] - [ 0.0001477100000000, -0.0000065500000000, 0.0000514900000000 ] - [ 0.0001371900000000, 0.0040045400000000, 0.0007661200000000 ] - [ -0.0000909200000000, 0.0001195600000000, 0.0000394600000000 ] - [ 0.0257321700000000, 0.0046184600000000, -0.0003759300000000 ] - [ -0.0003391200000000, -0.0001951100000000, -0.0000367900000000 ] - [ 0.0106898900000000, 0.0010710700000000, -0.0021281800000000 ] - [ 0.0003538200000000, -0.0002058600000000, -0.0000452200000000 ] - [ -0.0002058800000000, 0.0069499600000000, -0.0022768200000000 ] - [ 0.0000026300000000, 0.0004065800000000, -0.0000266100000000 ] - [ -0.0010722800000000, -0.0022308300000000, -0.0059121400000000 ] - [ -0.0003715800000000, -0.0002288900000000, 0.0003123200000000 ] - [ 0.0015426600000000, 0.0000963500000000, -0.0014190900000000 ] - [ 0.0004460500000000, -0.0002274700000000, 0.0003261600000000 ] - [ -0.0008201400000000, 0.0015582300000000, -0.0015388000000000 ] - [ -0.0000664700000000, 0.0004081200000000, 0.0003552700000000 ] - [ 0.0012063700000000, -0.0010748000000000, -0.0004251800000000 ] - [ 0.0000464400000000, -0.0001121300000000, 0.0000451800000000 ] - [ 0.0001813200000000, 0.0001610700000000, 0.0000306400000000 ] - [ 0.0000476400000000, 0.0001129600000000, 0.0000741800000000 ] - [ -0.0008390700000000, -0.0009418400000000, 0.0011941600000000 ] - [ -0.0001308100000000, -0.0000810900000000, 0.0000857100000000 ] - [ 0.0014682600000000, 0.0018717300000000, 0.0025694700000000 ] - [ -0.0001602400000000, 0.0000138800000000, 0.0000424200000000 ] - [ -0.0021804700000000, -0.0006555500000000, 0.0011056700000000 ] - [ 0.0002285700000000, -0.0000494900000000, -0.0003805500000000 ] - [ 0.0006433100000000, -0.0001855300000000, 0.0012109300000000 ] - [ -0.0001251400000000, 0.0003357600000000, -0.0007970000000000 ] - [ -0.0003387700000000, 0.0006873100000000, -0.0000288600000000 ] - [ -0.0003949600000000, 0.0000812200000000, 0.0007670800000000 ] - [ -0.0010468100000000, 0.0004731200000000, -0.0013495300000000 ] - [ 0.0000889800000000, -0.0003021900000000, 0.0003635900000000 ] - [ 0.0020920200000000, 0.0000883200000000, -0.0027823000000000 ] - [ 0.0002560200000000, 0.0002009300000000, 0.0006186000000000 ] - [ 0.0006374500000000, 0.0011321900000000, 0.0017250100000000 ] - [ -0.0000030400000000, 0.0001654600000000, -0.0001343100000000 ] - [ -0.0013860800000000, -0.0002494300000000, 0.0008999300000000 ] - [ -0.0002071800000000, 0.0001277900000000, -0.0002485900000000 ] - [ 0.0011155100000000, -0.0005408800000000, 0.0011046900000000 ] - [ 0.0002636700000000, -0.0000574600000000, -0.0003020200000000 ] - [ 0.0003618600000000, -0.0014366300000000, -0.0011421800000000 ] - [ -0.0002232400000000, -0.0002777000000000, -0.0000585200000000 ] - [ 0.0000945800000000, -0.0004491400000000, -0.0001499400000000 ] - [ 0.0003564200000000, 0.0000005300000000, -0.0000258100000000 ] - [ -0.0002523200000000, -0.0004516900000000, 0.0013714600000000 ] - [ -0.0000790900000000, 0.0001276700000000, 0.0000156000000000 ] - [ -0.0003468300000000, -0.0007158500000000, 0.0018063500000000 ] - [ 0.0001673200000000, 0.0001508100000000, -0.0005469000000000 ] - [ -0.0036347900000000, -0.0087602000000000, 0.0059774100000000 ] - [ 0.0000658700000000, 0.0000331900000000, 0.0002666100000000 ] - [ -0.0002463100000000, 0.0027364800000000, 0.0003133300000000 ] - [ 0.0000018600000000, 0.0000072400000000, 0.0005661300000000 ] - [ -0.0170677200000000, -0.0178702400000000, -0.0122510800000000 ] - [ -0.0000151600000000, -0.0000181900000000, -0.0000065800000000 ] - [ -0.0009290200000000, -0.0036625400000000, -0.0088592500000000 ] - [ -0.0000397000000000, -0.0002711300000000, -0.0001275000000000 ] - [ 0.0000197200000000, 0.0013040500000000, 0.0000307900000000 ] - [ -0.0001026000000000, 0.0002767200000000, -0.0003094600000000 ]- atom: 13 displacement: [ -0.0049999999944369, 0.0086602540410562, 0.0000000000000000 ] forces: - [ -0.0021443600000000, -0.0012297600000000, -0.0003488300000000 ] - [ 0.0000319300000000, 0.0001739700000000, 0.0000522100000000 ] - [ 0.0016325600000000, -0.0002011500000000, -0.0001241900000000 ] - [ -0.0001716100000000, -0.0000537700000000, 0.0000508100000000 ] - [ -0.0023664800000000, 0.0039891300000000, 0.0004300800000000 ] - [ 0.0001298500000000, -0.0001153600000000, 0.0000492100000000 ] - [ 0.0001877300000000, 0.0008664200000000, 0.0045602300000000 ] - [ -0.0001108100000000, -0.0001013400000000, -0.0002134000000000 ] - [ -0.0002652000000000, -0.0003641000000000, 0.0009081600000000 ] - [ 0.0001477900000000, -0.0000464300000000, -0.0002091800000000 ] - [ 0.0003192100000000, -0.0001222600000000, 0.0008985400000000 ] - [ -0.0000403600000000, 0.0001428200000000, -0.0002125100000000 ] - [ 0.1252703100000000, -0.0431251600000000, -0.0197054800000000 ] - [ -0.0000355700000000, 0.0001078500000000, -0.0001371400000000 ] - [ -0.0017101400000000, 0.0014798200000000, -0.0006880600000000 ] - [ -0.0000750000000000, -0.0000906000000000, -0.0001374600000000 ] - [ -0.0004311900000000, -0.0007018100000000, -0.0001923000000000 ] - [ 0.0001152400000000, -0.0000228500000000, -0.0001423100000000 ] - [ -0.0300149200000000, -0.0026652400000000, 0.0077803800000000 ] - [ 0.0000177200000000, 0.0002343100000000, -0.0000299100000000 ] - [ 0.0000736700000000, -0.0005222500000000, -0.0000935200000000 ] - [ -0.0002125600000000, -0.0001024900000000, -0.0000319400000000 ] - [ 0.0010004600000000, 0.0010047300000000, -0.0001596200000000 ] - [ 0.0001997800000000, -0.0001293400000000, -0.0000295500000000 ] - [ 0.0009840800000000, 0.0007077500000000, 0.0003252000000000 ] - [ 0.0000995000000000, 0.0002025400000000, 0.0000605100000000 ] - [ -0.0008153200000000, 0.0002479700000000, 0.0001194100000000 ] - [ -0.0003005200000000, 0.0000076900000000, 0.0001058900000000 ] - [ 0.0002071900000000, -0.0006672300000000, 0.0001373700000000 ] - [ 0.0001609000000000, -0.0002087200000000, 0.0000515000000000 ] - [ -0.0001079300000000, -0.0001279300000000, -0.0001437400000000 ] - [ 0.0000036900000000, -0.0001338100000000, -0.0005166900000000 ] - [ 0.0000617600000000, 0.0000094100000000, -0.0003072500000000 ] - [ 0.0001405700000000, -0.0000255900000000, -0.0002445700000000 ] - [ 0.0002877600000000, 0.0000284800000000, 0.0005029700000000 ] - [ -0.0000859100000000, 0.0001751700000000, -0.0005153800000000 ] - [ -0.0005500500000000, 0.0001456800000000, -0.0000619500000000 ] - [ -0.0001109400000000, 0.0001089100000000, -0.0001313600000000 ] - [ 0.0000901300000000, -0.0001592700000000, 0.0000393400000000 ] - [ -0.0000456500000000, -0.0001484300000000, -0.0001450500000000 ] - [ -0.0001337600000000, -0.0001007000000000, -0.0007865900000000 ] - [ 0.0001686300000000, 0.0000887100000000, -0.0001132900000000 ] - [ -0.0004539000000000, 0.0008309800000000, 0.0001435400000000 ] - [ 0.0000139000000000, 0.0002532900000000, -0.0000597800000000 ] - [ -0.0003640000000000, -0.0002571500000000, -0.0000371300000000 ] - [ -0.0002400600000000, -0.0001029600000000, -0.0000612400000000 ] - [ 0.0010362600000000, -0.0000007600000000, -0.0003987600000000 ] - [ 0.0002275200000000, -0.0001370500000000, -0.0000296500000000 ] - [ 0.0001614700000000, 0.0001528400000000, 0.0000135200000000 ] - [ 0.0000040200000000, 0.0001353000000000, 0.0000349000000000 ] - [ 0.0000145000000000, 0.0001175900000000, -0.0006136100000000 ] - [ -0.0001684400000000, -0.0000238000000000, 0.0000728400000000 ] - [ -0.0004055700000000, 0.0006886500000000, 0.0003610500000000 ] - [ 0.0001084800000000, -0.0000779000000000, 0.0000531400000000 ] - [ -0.0004234700000000, 0.0003441600000000, 0.0000779800000000 ] - [ -0.0001112000000000, -0.0000957200000000, -0.0001926800000000 ] - [ 0.0001712000000000, 0.0004780100000000, 0.0000574300000000 ] - [ 0.0001398200000000, -0.0000456000000000, -0.0002024200000000 ] - [ -0.0005086000000000, 0.0004631900000000, -0.0016230800000000 ] - [ -0.0000333800000000, 0.0001344900000000, -0.0002017100000000 ] - [ -0.0006782000000000, 0.0000749500000000, -0.0001829800000000 ] - [ -0.0001294000000000, 0.0001026700000000, -0.0001134100000000 ] - [ 0.0002885800000000, -0.0000102900000000, 0.0002788100000000 ] - [ 0.0000003400000000, -0.0001985200000000, -0.0001590300000000 ] - [ 0.0000940100000000, 0.0001123500000000, -0.0002765200000000 ] - [ 0.0001538100000000, 0.0000993100000000, -0.0000689900000000 ] - [ 0.0003272900000000, -0.0001879700000000, -0.0000805100000000 ] - [ 0.0000834900000000, 0.0001501100000000, -0.0000179700000000 ] - [ 0.0002745400000000, -0.0003218900000000, 0.0002335000000000 ] - [ -0.0001551200000000, -0.0000653600000000, 0.0000068600000000 ] - [ -0.0007719800000000, -0.0001833000000000, 0.0000115200000000 ] - [ 0.0000519600000000, -0.0001388200000000, -0.0000281000000000 ] - [ 0.0020815200000000, 0.0007458200000000, 0.0000765700000000 ] - [ -0.0002687200000000, -0.0001572500000000, 0.0001923800000000 ] - [ -0.0004054800000000, -0.0005683700000000, 0.0002887300000000 ] - [ 0.0002766400000000, -0.0001628300000000, 0.0001974900000000 ] - [ 0.0008833100000000, -0.0023604000000000, 0.0008676300000000 ] - [ 0.0000058700000000, 0.0003139000000000, 0.0002036800000000 ] - [ -0.1088025200000000, 0.0386801500000000, 0.0148087800000000 ] - [ -0.0000533300000000, -0.0000812900000000, 0.0000517700000000 ] - [ 0.0025920300000000, 0.0010616500000000, 0.0007804100000000 ] - [ 0.0000997100000000, 0.0000035800000000, 0.0000629000000000 ] - [ -0.0010663100000000, 0.0008440200000000, 0.0003075300000000 ] - [ -0.0000678100000000, 0.0000832600000000, 0.0000482900000000 ] - [ 0.0124981800000000, 0.0126416000000000, 0.0011177100000000 ] - [ -0.0003090300000000, -0.0001786000000000, -0.0000242300000000 ] - [ 0.0061269000000000, 0.0002627000000000, -0.0007313800000000 ] - [ 0.0003164900000000, -0.0001824700000000, -0.0000280100000000 ] - [ -0.0011036600000000, 0.0036464000000000, -0.0012382400000000 ] - [ -0.0000015400000000, 0.0003669000000000, -0.0000293500000000 ] - [ -0.0006278300000000, -0.0011489100000000, -0.0028092800000000 ] - [ -0.0003132900000000, -0.0001413100000000, 0.0002487000000000 ] - [ 0.0008451900000000, -0.0000681200000000, -0.0005542000000000 ] - [ 0.0003406900000000, -0.0002113100000000, 0.0002673600000000 ] - [ -0.0005574600000000, 0.0007889400000000, -0.0005371500000000 ] - [ -0.0000276800000000, 0.0003359400000000, 0.0002584300000000 ] - [ 0.0006586100000000, -0.0006279800000000, -0.0001369200000000 ] - [ 0.0000122500000000, -0.0000765700000000, 0.0000565800000000 ] - [ 0.0001736500000000, -0.0000378200000000, -0.0001072900000000 ] - [ 0.0000717600000000, 0.0000424100000000, 0.0000559800000000 ] - [ -0.0000867300000000, -0.0006515500000000, 0.0013382600000000 ] - [ -0.0000675100000000, -0.0000346300000000, 0.0000761300000000 ] - [ 0.0004752100000000, 0.0006414400000000, 0.0011086300000000 ] - [ -0.0002363900000000, -0.0001042300000000, 0.0000079600000000 ] - [ -0.0011501700000000, -0.0003641700000000, 0.0004530000000000 ] - [ 0.0001986300000000, -0.0001183300000000, 0.0000963900000000 ] - [ 0.0003805600000000, 0.0004564400000000, 0.0004193900000000 ] - [ -0.0001058800000000, 0.0003749100000000, -0.0004929200000000 ] - [ -0.0004425200000000, 0.0003044400000000, 0.0000264200000000 ] - [ -0.0003281300000000, -0.0000618700000000, 0.0003844000000000 ] - [ -0.0006059900000000, 0.0002672000000000, 0.0001707200000000 ] - [ 0.0002234200000000, -0.0002036300000000, 0.0001666600000000 ] - [ 0.0011269600000000, 0.0000721400000000, -0.0016744800000000 ] - [ 0.0001127300000000, 0.0002616600000000, 0.0003436200000000 ] - [ 0.0002604300000000, 0.0005294200000000, 0.0010024500000000 ] - [ -0.0000186700000000, 0.0000312200000000, -0.0000104900000000 ] - [ -0.0007834900000000, 0.0000794300000000, 0.0001946900000000 ] - [ -0.0000719900000000, 0.0001053900000000, -0.0000364600000000 ] - [ 0.0006007400000000, -0.0001772600000000, 0.0005569500000000 ] - [ 0.0000922100000000, -0.0000081600000000, -0.0001045300000000 ] - [ 0.0001549600000000, -0.0008561900000000, -0.0003188800000000 ] - [ -0.0002303500000000, -0.0001914800000000, 0.0000034100000000 ] - [ 0.0005008600000000, -0.0005996300000000, -0.0005649900000000 ] - [ 0.0003087100000000, -0.0000861600000000, 0.0000102800000000 ] - [ 0.0001794100000000, -0.0003050700000000, 0.0011381300000000 ] - [ -0.0000236300000000, 0.0001600900000000, 0.0000806000000000 ] - [ -0.0001090300000000, -0.0004262600000000, 0.0010466100000000 ] - [ 0.0001975400000000, 0.0001029600000000, -0.0000414100000000 ] - [ 0.0014486400000000, -0.0055992600000000, 0.0031635100000000 ] - [ 0.0000352200000000, 0.0000095700000000, 0.0003304300000000 ] - [ -0.0010410200000000, 0.0018660600000000, 0.0006160900000000 ] - [ 0.0000000200000000, 0.0000071200000000, 0.0005506900000000 ] - [ -0.0050105800000000, -0.0092348700000000, -0.0069099600000000 ] - [ -0.0000048500000000, -0.0000117600000000, -0.0001393500000000 ] - [ 0.0008631900000000, -0.0018544200000000, -0.0035990000000000 ] - [ 0.0000841500000000, -0.0001862300000000, -0.0001976200000000 ] - [ -0.0004985600000000, 0.0009457900000000, -0.0000990000000000 ] - [ -0.0001163300000000, 0.0001992100000000, -0.0004393100000000 ]- atom: 13 displacement: [ 0.0049999999944369, -0.0086602540410562, 0.0000000000000000 ] forces: - [ 0.0022059800000000, 0.0015884800000000, 0.0004375400000000 ] - [ 0.0000572800000000, 0.0001797900000000, 0.0000396700000000 ] - [ -0.0019919500000000, 0.0001022200000000, 0.0002167100000000 ] - [ -0.0001923300000000, -0.0000369300000000, 0.0000414800000000 ] - [ 0.0025683800000000, -0.0041793500000000, -0.0003268200000000 ] - [ 0.0001289500000000, -0.0001376000000000, 0.0000414400000000 ] - [ -0.0003884600000000, -0.0010595900000000, -0.0049760100000000 ] - [ -0.0000991000000000, -0.0001083400000000, -0.0002556400000000 ] - [ 0.0005435800000000, 0.0002868300000000, -0.0013657000000000 ] - [ 0.0001361900000000, -0.0000281600000000, -0.0002608400000000 ] - [ -0.0003961400000000, 0.0004039700000000, -0.0013546100000000 ] - [ -0.0000384400000000, 0.0001429800000000, -0.0002587000000000 ] - [ -0.1285364800000000, 0.0412124200000000, 0.0203260100000000 ] - [ -0.0000837200000000, 0.0001039700000000, -0.0001562400000000 ] - [ 0.0015719900000000, -0.0016859800000000, 0.0003927400000000 ] - [ -0.0000428700000000, -0.0001279600000000, -0.0001524500000000 ] - [ 0.0006693600000000, 0.0006921900000000, -0.0001005300000000 ] - [ 0.0001315600000000, 0.0000251200000000, -0.0001494700000000 ] - [ 0.0308465100000000, 0.0031298100000000, -0.0079428400000000 ] - [ 0.0000210400000000, 0.0002168100000000, -0.0000512300000000 ] - [ -0.0004859300000000, 0.0003181000000000, 0.0000111800000000 ] - [ -0.0001970800000000, -0.0000875900000000, -0.0000486700000000 ] - [ -0.0006153200000000, -0.0012510900000000, 0.0000773900000000 ] - [ 0.0001720300000000, -0.0001298400000000, -0.0000511800000000 ] - [ -0.0008788100000000, -0.0003448800000000, -0.0002242000000000 ] - [ -0.0000083800000000, 0.0001540400000000, 0.0000393700000000 ] - [ 0.0004435600000000, -0.0003365700000000, -0.0000191000000000 ] - [ -0.0000636300000000, -0.0001003400000000, -0.0000055800000000 ] - [ 0.0000542700000000, 0.0003996200000000, -0.0000367900000000 ] - [ 0.0000999900000000, -0.0000465600000000, 0.0000464300000000 ] - [ -0.0001099800000000, -0.0000781900000000, -0.0003410500000000 ] - [ -0.0002194100000000, -0.0000711500000000, 0.0000278100000000 ] - [ 0.0002186800000000, -0.0000916800000000, -0.0001708000000000 ] - [ 0.0001425400000000, -0.0000570200000000, -0.0002420700000000 ] - [ -0.0003541400000000, 0.0002611600000000, -0.0009785300000000 ] - [ 0.0000135700000000, 0.0001157600000000, 0.0000240500000000 ] - [ 0.0004165400000000, 0.0000602600000000, -0.0002265500000000 ] - [ -0.0000131800000000, 0.0000970100000000, -0.0001599100000000 ] - [ -0.0001993500000000, -0.0000611600000000, -0.0003248300000000 ] - [ -0.0000680400000000, -0.0000670300000000, -0.0001441600000000 ] - [ 0.0003801000000000, 0.0001179800000000, 0.0004953400000000 ] - [ 0.0000741400000000, -0.0000805300000000, -0.0001765800000000 ] - [ 0.0004947000000000, -0.0003637300000000, -0.0002202500000000 ] - [ 0.0000300100000000, 0.0002103600000000, -0.0000191300000000 ] - [ -0.0000593200000000, 0.0000649000000000, -0.0000403800000000 ] - [ -0.0001836600000000, -0.0000901400000000, -0.0000174300000000 ] - [ -0.0006547100000000, -0.0002682200000000, 0.0003229500000000 ] - [ 0.0001537400000000, -0.0001321000000000, -0.0000485900000000 ] - [ -0.0000794200000000, 0.0001889600000000, 0.0000793700000000 ] - [ 0.0000754300000000, 0.0002056900000000, 0.0000584100000000 ] - [ -0.0003523100000000, -0.0002147400000000, 0.0006997600000000 ] - [ -0.0001770800000000, -0.0000701300000000, 0.0000206400000000 ] - [ 0.0006502500000000, -0.0009149700000000, -0.0002594700000000 ] - [ 0.0001446200000000, -0.0001616000000000, 0.0000397700000000 ] - [ 0.0002051900000000, -0.0005447500000000, -0.0005457000000000 ] - [ -0.0001030800000000, -0.0001142300000000, -0.0002715000000000 ] - [ 0.0001152000000000, -0.0005563800000000, -0.0005341400000000 ] - [ 0.0001461000000000, -0.0000320100000000, -0.0002631400000000 ] - [ 0.0004245900000000, -0.0001707600000000, 0.0011319100000000 ] - [ -0.0000442000000000, 0.0001553000000000, -0.0002664000000000 ] - [ 0.0005328400000000, 0.0001307400000000, -0.0001153000000000 ] - [ -0.0000095900000000, 0.0001034700000000, -0.0001843100000000 ] - [ -0.0003968900000000, -0.0002078800000000, -0.0005746700000000 ] - [ -0.0001088400000000, -0.0000263400000000, -0.0001373700000000 ] - [ 0.0001538000000000, -0.0000941200000000, -0.0000221300000000 ] - [ 0.0000944400000000, -0.0000804600000000, -0.0002277100000000 ] - [ -0.0002854100000000, 0.0006486400000000, 0.0000074600000000 ] - [ -0.0000441300000000, 0.0003147000000000, -0.0000544300000000 ] - [ -0.0006898500000000, 0.0001243900000000, -0.0002939300000000 ] - [ -0.0002663500000000, -0.0001316200000000, -0.0000785200000000 ] - [ 0.0011443200000000, -0.0000835800000000, -0.0000826000000000 ] - [ 0.0003326700000000, -0.0001271300000000, -0.0000440900000000 ] - [ -0.0026346200000000, -0.0010969100000000, 0.0003986700000000 ] - [ -0.0002914600000000, -0.0001436500000000, 0.0002678200000000 ] - [ 0.0009641000000000, 0.0002368400000000, 0.0001720900000000 ] - [ 0.0002815300000000, -0.0001842100000000, 0.0002576200000000 ] - [ -0.0008413500000000, 0.0029606600000000, -0.0003998300000000 ] - [ 0.0000206700000000, 0.0003203200000000, 0.0002555100000000 ] - [ 0.1109002500000000, -0.0369319100000000, -0.0153637800000000 ] - [ -0.0000086500000000, -0.0000578600000000, 0.0001275900000000 ] - [ -0.0024230200000000, -0.0010178800000000, -0.0005951400000000 ] - [ 0.0000462000000000, 0.0000218100000000, 0.0001188500000000 ] - [ 0.0009622100000000, -0.0007159000000000, -0.0001240600000000 ] - [ -0.0000301000000000, 0.0000349800000000, 0.0001356100000000 ] - [ -0.0128100400000000, -0.0126435600000000, -0.0010939400000000 ] - [ -0.0002657000000000, -0.0001398700000000, 0.0000547500000000 ] - [ -0.0055082100000000, -0.0006091500000000, 0.0007600900000000 ] - [ 0.0002497400000000, -0.0001600100000000, 0.0000564300000000 ] - [ 0.0011144600000000, -0.0029500000000000, 0.0012631400000000 ] - [ 0.0000118300000000, 0.0002928100000000, 0.0000584100000000 ] - [ 0.0000687900000000, 0.0008982900000000, 0.0032710100000000 ] - [ -0.0002370700000000, -0.0000957200000000, 0.0002437100000000 ] - [ -0.0003429500000000, -0.0002990900000000, 0.0010332400000000 ] - [ 0.0001536100000000, -0.0001555200000000, 0.0002197200000000 ] - [ 0.0006292300000000, -0.0001862600000000, 0.0010158400000000 ] - [ 0.0001012500000000, 0.0002564800000000, 0.0002310000000000 ] - [ -0.0006872800000000, 0.0005336300000000, 0.0002854200000000 ] - [ -0.0000492300000000, -0.0000163700000000, 0.0000980300000000 ] - [ -0.0000821800000000, 0.0000587300000000, 0.0002602200000000 ] - [ 0.0000241900000000, -0.0000224300000000, 0.0001026400000000 ] - [ 0.0000126700000000, 0.0007203200000000, -0.0011868100000000 ] - [ -0.0000024800000000, 0.0001090700000000, 0.0000832900000000 ] - [ -0.0009939300000000, -0.0009678200000000, -0.0009703300000000 ] - [ -0.0002971200000000, -0.0002370700000000, 0.0001085000000000 ] - [ 0.0017025100000000, 0.0000677000000000, -0.0003331400000000 ] - [ 0.0003717800000000, -0.0001761000000000, 0.0000129900000000 ] - [ -0.0004060600000000, 0.0001747600000000, -0.0002967100000000 ] - [ 0.0000758300000000, 0.0002634200000000, 0.0005991900000000 ] - [ -0.0000767200000000, -0.0005869100000000, 0.0003393100000000 ] - [ -0.0001894100000000, -0.0002243900000000, -0.0000163600000000 ] - [ 0.0011171800000000, -0.0005672700000000, 0.0001761000000000 ] - [ 0.0002961400000000, -0.0001089600000000, 0.0001934700000000 ] - [ -0.0010976200000000, 0.0005180000000000, 0.0020068400000000 ] - [ -0.0000968800000000, 0.0003274700000000, 0.0000218200000000 ] - [ -0.0003055500000000, -0.0006487600000000, -0.0007498100000000 ] - [ -0.0000296900000000, -0.0001565600000000, 0.0002523900000000 ] - [ 0.0009060900000000, -0.0000614600000000, 0.0000504400000000 ] - [ 0.0002033900000000, -0.0000826100000000, 0.0002821200000000 ] - [ -0.0006821600000000, 0.0002783200000000, -0.0003037600000000 ] - [ -0.0001820100000000, 0.0001113000000000, 0.0003508700000000 ] - [ -0.0006813700000000, 0.0004971600000000, 0.0004038200000000 ] - [ -0.0002989400000000, -0.0001577500000000, 0.0000829800000000 ] - [ 0.0000658300000000, 0.0003114600000000, 0.0006571700000000 ] - [ 0.0002591300000000, -0.0001990900000000, 0.0000753200000000 ] - [ -0.0002181100000000, 0.0009368000000000, -0.0010385600000000 ] - [ -0.0000152000000000, 0.0004747200000000, 0.0000038400000000 ] - [ 0.0001098800000000, 0.0004257900000000, -0.0004101700000000 ] - [ -0.0001912500000000, -0.0000989300000000, 0.0006637500000000 ] - [ -0.0014759200000000, 0.0055104900000000, -0.0025301900000000 ] - [ -0.0000407000000000, -0.0000053700000000, 0.0002752200000000 ] - [ 0.0010548800000000, -0.0018614200000000, 0.0003969600000000 ] - [ 0.0000137300000000, -0.0000114000000000, 0.0004503700000000 ] - [ 0.0049715700000000, 0.0091616300000000, 0.0061765100000000 ] - [ 0.0000017500000000, 0.0000104300000000, -0.0004691400000000 ] - [ -0.0008811000000000, 0.0018174300000000, 0.0029046300000000 ] - [ -0.0000904100000000, 0.0001839200000000, -0.0004240100000000 ] - [ 0.0005010100000000, -0.0009394000000000, -0.0005350700000000 ] - [ 0.0001164800000000, -0.0002003800000000, -0.0001896500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015469800000000, -0.0004245200000000, -0.0002381500000000 ] - [ 0.0000643000000000, 0.0001847400000000, 0.0000948500000000 ] - [ 0.0003897800000000, -0.0003700200000000, -0.0002451100000000 ] - [ -0.0002011400000000, -0.0000289600000000, 0.0000993000000000 ] - [ 0.0002336800000000, 0.0015702800000000, -0.0006068400000000 ] - [ 0.0001290600000000, -0.0001549200000000, 0.0001045300000000 ] - [ -0.0015940100000000, 0.0001206500000000, -0.0000242400000000 ] - [ -0.0001347300000000, -0.0000431900000000, 0.0000894300000000 ] - [ 0.0000030300000000, -0.0000848600000000, -0.0001138900000000 ] - [ 0.0001308200000000, -0.0000682500000000, -0.0000067900000000 ] - [ -0.0001810600000000, -0.0000375300000000, -0.0001090100000000 ] - [ 0.0000092100000000, 0.0001235500000000, 0.0000562800000000 ] - [ 0.0599096900000000, 0.0113128200000000, -0.0479463100000000 ] - [ -0.0000712600000000, 0.0001103100000000, -0.0000863000000000 ] - [ -0.0008257600000000, 0.0003840500000000, -0.0003227100000000 ] - [ -0.0000647600000000, -0.0001102300000000, -0.0000909900000000 ] - [ -0.0004179900000000, -0.0006935200000000, -0.0003233900000000 ] - [ 0.0001309400000000, 0.0000056700000000, -0.0000919000000000 ] - [ 0.0054725000000000, 0.0043761200000000, -0.0006352700000000 ] - [ 0.0000137000000000, 0.0002418700000000, 0.0000200300000000 ] - [ -0.0000980900000000, -0.0002622600000000, -0.0002611300000000 ] - [ -0.0002182000000000, -0.0001125600000000, 0.0000171900000000 ] - [ 0.0003875300000000, -0.0001520400000000, -0.0004290900000000 ] - [ 0.0002044900000000, -0.0001338800000000, 0.0000241600000000 ] - [ 0.0000393700000000, 0.0004851300000000, 0.0005087600000000 ] - [ 0.0001298500000000, 0.0001819400000000, 0.0001761500000000 ] - [ -0.0001452400000000, -0.0000836700000000, 0.0000322000000000 ] - [ -0.0002735800000000, -0.0000074400000000, 0.0000712700000000 ] - [ 0.0001608700000000, -0.0003287100000000, 0.0000769800000000 ] - [ 0.0001418500000000, -0.0001487600000000, 0.0000756600000000 ] - [ -0.0001589500000000, -0.0001081800000000, -0.0001560900000000 ] - [ -0.0001141900000000, -0.0000766200000000, -0.0000054000000000 ] - [ -0.0001767500000000, -0.0000353200000000, 0.0010553300000000 ] - [ 0.0000759800000000, -0.0000807900000000, 0.0000550500000000 ] - [ -0.0002852700000000, 0.0001836800000000, -0.0001277700000000 ] - [ 0.0000082600000000, 0.0001335900000000, -0.0000065000000000 ] - [ -0.0000495800000000, 0.0000703000000000, -0.0001647300000000 ] - [ -0.0001076100000000, 0.0001171000000000, -0.0001030600000000 ] - [ -0.0001521600000000, 0.0000950200000000, -0.0001626200000000 ] - [ 0.0000030600000000, -0.0002330300000000, -0.0000847600000000 ] - [ 0.0005493700000000, 0.0000467200000000, 0.0002024200000000 ] - [ 0.0001102700000000, 0.0000247000000000, -0.0000688100000000 ] - [ -0.0002037500000000, 0.0005257300000000, -0.0000296800000000 ] - [ 0.0000687300000000, 0.0002033100000000, -0.0000006800000000 ] - [ -0.0002535900000000, -0.0001641700000000, -0.0000744400000000 ] - [ -0.0002439700000000, -0.0001317300000000, -0.0000178600000000 ] - [ 0.0000834700000000, -0.0004725400000000, 0.0003540100000000 ] - [ 0.0001970300000000, -0.0001110900000000, 0.0000548600000000 ] - [ 0.0002099500000000, 0.0002592600000000, -0.0000325500000000 ] - [ 0.0000604400000000, 0.0001735400000000, 0.0001011400000000 ] - [ 0.0006687700000000, -0.0007609300000000, 0.0002148500000000 ] - [ -0.0001953500000000, -0.0000216800000000, 0.0000992700000000 ] - [ 0.0000190800000000, -0.0002419000000000, 0.0000099900000000 ] - [ 0.0001245600000000, -0.0001377600000000, 0.0000955200000000 ] - [ -0.0003127000000000, -0.0000349200000000, -0.0001105000000000 ] - [ -0.0001251900000000, -0.0000605800000000, 0.0000422600000000 ] - [ 0.0002719200000000, 0.0003207700000000, -0.0007736400000000 ] - [ 0.0001109200000000, -0.0000777700000000, 0.0000494500000000 ] - [ 0.0000251000000000, 0.0001271200000000, -0.0009910700000000 ] - [ 0.0000125500000000, 0.0001434500000000, 0.0000602300000000 ] - [ -0.0003766200000000, 0.0000221100000000, -0.0001665900000000 ] - [ -0.0000872700000000, 0.0001093400000000, -0.0001065300000000 ] - [ -0.0001717400000000, 0.0006899200000000, 0.0001976500000000 ] - [ -0.0000359400000000, -0.0001595900000000, -0.0000717500000000 ] - [ 0.0003055900000000, 0.0001711500000000, -0.0001655300000000 ] - [ 0.0001237500000000, 0.0000209200000000, -0.0000886300000000 ] - [ 0.0001250000000000, 0.0000197400000000, -0.0000803000000000 ] - [ 0.0000131500000000, 0.0002439900000000, 0.0000278000000000 ] - [ 0.0000852300000000, 0.0000183200000000, 0.0014841900000000 ] - [ -0.0002089400000000, -0.0000863100000000, 0.0000492700000000 ] - [ 0.0000586000000000, -0.0000985600000000, -0.0000734800000000 ] - [ 0.0001902500000000, -0.0001387600000000, 0.0000136400000000 ] - [ 0.0019115700000000, -0.0022737600000000, 0.0007254300000000 ] - [ -0.0002726000000000, -0.0001755100000000, -0.0000343700000000 ] - [ -0.0000979300000000, -0.0001102500000000, 0.0009018800000000 ] - [ 0.0003009400000000, -0.0001565600000000, -0.0000408300000000 ] - [ -0.0001904300000000, -0.0008609300000000, 0.0011274900000000 ] - [ -0.0000179100000000, 0.0003277300000000, -0.0000514600000000 ] - [ -0.0732815700000000, -0.0149282200000000, 0.0364413600000000 ] - [ -0.0000320500000000, -0.0000954800000000, -0.0001271600000000 ] - [ 0.0009401600000000, 0.0005152900000000, 0.0005955800000000 ] - [ 0.0001091800000000, 0.0000270500000000, -0.0001373700000000 ] - [ 0.0002664400000000, 0.0009053300000000, 0.0008536600000000 ] - [ -0.0000708200000000, 0.0000692500000000, -0.0001234300000000 ] - [ 0.0070073500000000, 0.0023342400000000, 0.0131393600000000 ] - [ -0.0003162500000000, -0.0002098700000000, -0.0002819300000000 ] - [ 0.0030416100000000, 0.0005099900000000, -0.0000559600000000 ] - [ 0.0003244100000000, -0.0001790000000000, -0.0002169200000000 ] - [ 0.0000483400000000, 0.0017261600000000, -0.0002641700000000 ] - [ -0.0000221900000000, 0.0003745900000000, -0.0002608800000000 ] - [ 0.0001891900000000, -0.0003230100000000, 0.0003204000000000 ] - [ -0.0003737600000000, -0.0001162900000000, -0.0000986700000000 ] - [ 0.0003368800000000, -0.0001021000000000, 0.0001580000000000 ] - [ 0.0002956300000000, -0.0001803000000000, 0.0000854200000000 ] - [ 0.0001443500000000, 0.0005572800000000, -0.0000230600000000 ] - [ -0.0000504600000000, 0.0002618400000000, -0.0000561900000000 ] - [ 0.0000870300000000, -0.0002405500000000, 0.0001431400000000 ] - [ -0.0000191400000000, -0.0000411500000000, -0.0000786900000000 ] - [ 0.0001364900000000, -0.0000878800000000, 0.0002329800000000 ] - [ 0.0000415800000000, 0.0001057200000000, -0.0000949900000000 ] - [ -0.0005390400000000, 0.0006686200000000, -0.0004421100000000 ] - [ -0.0000298200000000, 0.0000046800000000, -0.0001251400000000 ] - [ -0.0001172000000000, -0.0000182500000000, 0.0001403200000000 ] - [ -0.0002135400000000, -0.0001476400000000, -0.0000407200000000 ] - [ -0.0003098800000000, -0.0004534300000000, 0.0000432400000000 ] - [ 0.0004977100000000, -0.0000431900000000, -0.0008942700000000 ] - [ -0.0002076100000000, 0.0002021000000000, -0.0000007000000000 ] - [ 0.0000975400000000, 0.0002773300000000, -0.0000367200000000 ] - [ -0.0002667600000000, -0.0000330800000000, 0.0002274400000000 ] - [ -0.0002599400000000, -0.0001528800000000, -0.0000595100000000 ] - [ 0.0004646600000000, 0.0007128300000000, -0.0018887500000000 ] - [ 0.0002848100000000, -0.0001577800000000, -0.0000928700000000 ] - [ 0.0001128900000000, 0.0002296500000000, 0.0008065000000000 ] - [ -0.0000061000000000, 0.0003044400000000, -0.0000526100000000 ] - [ 0.0000749900000000, 0.0002449000000000, 0.0006511300000000 ] - [ 0.0000064600000000, -0.0000824700000000, -0.0000798500000000 ] - [ -0.0008063700000000, -0.0006706400000000, -0.0007212000000000 ] - [ 0.0000833400000000, 0.0000418900000000, -0.0001605600000000 ] - [ -0.0001363600000000, -0.0001381900000000, 0.0003748100000000 ] - [ -0.0000228900000000, 0.0000637800000000, -0.0000942500000000 ] - [ 0.0000405100000000, -0.0001490200000000, -0.0000131900000000 ] - [ -0.0002858100000000, -0.0002290100000000, -0.0002074000000000 ] - [ 0.0004686500000000, -0.0007611800000000, 0.0000141500000000 ] - [ 0.0002981100000000, -0.0001175600000000, -0.0002025500000000 ] - [ -0.0004166000000000, 0.0004682600000000, 0.0003560100000000 ] - [ -0.0000404300000000, 0.0003690800000000, -0.0002540300000000 ] - [ -0.0002154100000000, -0.0000903500000000, 0.0008304600000000 ] - [ 0.0006513200000000, 0.0001026200000000, 0.0005541300000000 ] - [ -0.0040557400000000, -0.0020975300000000, 0.0015731400000000 ] - [ 0.0000130100000000, 0.0000008900000000, 0.0007171200000000 ] - [ 0.0002781400000000, 0.0001971900000000, -0.0004154000000000 ] - [ 0.0000043300000000, 0.0000105200000000, 0.0008827400000000 ] - [ 0.0006995300000000, -0.0034648600000000, -0.0041999800000000 ] - [ 0.0000100400000000, -0.0000001700000000, 0.0002027200000000 ] - [ 0.0020021600000000, 0.0008593100000000, -0.0010633800000000 ] - [ -0.0002908100000000, 0.0000396100000000, 0.0002061300000000 ] - [ -0.0003810500000000, 0.0000715000000000, 0.0001176700000000 ] - [ 0.0000577800000000, -0.0000348700000000, 0.0001492300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0016293200000000, 0.0007798100000000, 0.0003260200000000 ] - [ 0.0000247600000000, 0.0001687900000000, -0.0000028600000000 ] - [ -0.0007515100000000, 0.0002831100000000, 0.0003363400000000 ] - [ -0.0001626200000000, -0.0000618600000000, -0.0000069100000000 ] - [ 0.0000385100000000, -0.0018327200000000, 0.0006954700000000 ] - [ 0.0001295700000000, -0.0000978800000000, -0.0000138500000000 ] - [ 0.0013538300000000, -0.0003280900000000, -0.0004506300000000 ] - [ -0.0000749000000000, -0.0001670300000000, -0.0005602100000000 ] - [ 0.0002816300000000, 0.0000109700000000, -0.0003626400000000 ] - [ 0.0001529000000000, -0.0000062700000000, -0.0004634300000000 ] - [ 0.0001001000000000, 0.0003234100000000, -0.0003686400000000 ] - [ -0.0000882800000000, 0.0001624900000000, -0.0005287300000000 ] - [ -0.0590391500000000, -0.0111570000000000, 0.0457807700000000 ] - [ -0.0000487300000000, 0.0001015000000000, -0.0002070400000000 ] - [ 0.0006999300000000, -0.0006030500000000, 0.0000304100000000 ] - [ -0.0000528500000000, -0.0001089500000000, -0.0001988700000000 ] - [ 0.0006630100000000, 0.0006952800000000, 0.0000297400000000 ] - [ 0.0001161200000000, -0.0000028900000000, -0.0001997700000000 ] - [ -0.0054727400000000, -0.0039670000000000, 0.0004313600000000 ] - [ 0.0000256500000000, 0.0002081800000000, -0.0001010200000000 ] - [ -0.0003076200000000, 0.0000685800000000, 0.0001799100000000 ] - [ -0.0001909800000000, -0.0000766500000000, -0.0000975700000000 ] - [ -0.0000159200000000, -0.0001139200000000, 0.0003509100000000 ] - [ 0.0001661300000000, -0.0001253700000000, -0.0001048100000000 ] - [ 0.0000502000000000, -0.0001253300000000, -0.0004048700000000 ] - [ -0.0000404500000000, 0.0001746700000000, -0.0000775100000000 ] - [ -0.0002152400000000, -0.0000112900000000, 0.0000665800000000 ] - [ -0.0000883100000000, -0.0000865100000000, 0.0000289400000000 ] - [ 0.0001001200000000, 0.0000737200000000, 0.0000210800000000 ] - [ 0.0001189100000000, -0.0001060700000000, 0.0000230400000000 ] - [ -0.0000581900000000, -0.0000959400000000, -0.0003247300000000 ] - [ -0.0001040400000000, -0.0001278600000000, -0.0004765800000000 ] - [ 0.0004637400000000, -0.0000502300000000, -0.0015526000000000 ] - [ 0.0002065900000000, -0.0000026300000000, -0.0005384100000000 ] - [ 0.0002178300000000, 0.0001054400000000, -0.0003552800000000 ] - [ -0.0000797900000000, 0.0001564700000000, -0.0004802200000000 ] - [ -0.0000723800000000, 0.0001352400000000, -0.0001276500000000 ] - [ -0.0000152100000000, 0.0000888600000000, -0.0001879400000000 ] - [ 0.0000374700000000, -0.0003081100000000, -0.0001274100000000 ] - [ -0.0001182500000000, 0.0000200000000000, -0.0002044600000000 ] - [ -0.0003041600000000, -0.0000412000000000, -0.0004901000000000 ] - [ 0.0001322200000000, -0.0000182600000000, -0.0002216700000000 ] - [ 0.0002458200000000, -0.0000607800000000, -0.0000507100000000 ] - [ -0.0000256000000000, 0.0002610400000000, -0.0000775600000000 ] - [ -0.0001682300000000, -0.0000268000000000, -0.0000042700000000 ] - [ -0.0001794100000000, -0.0000610800000000, -0.0000599400000000 ] - [ 0.0002943200000000, 0.0002002700000000, -0.0004306800000000 ] - [ 0.0001840300000000, -0.0001587200000000, -0.0001334800000000 ] - [ -0.0001272400000000, 0.0000830700000000, 0.0001289100000000 ] - [ 0.0000207300000000, 0.0001688900000000, -0.0000071800000000 ] - [ -0.0010261900000000, 0.0006761300000000, -0.0001190100000000 ] - [ -0.0001517900000000, -0.0000717400000000, -0.0000055800000000 ] - [ 0.0002359100000000, 0.0000010400000000, 0.0000891600000000 ] - [ 0.0001288600000000, -0.0001035300000000, -0.0000024500000000 ] - [ 0.0000951500000000, -0.0001677600000000, -0.0003411700000000 ] - [ -0.0000888800000000, -0.0001497300000000, -0.0005080500000000 ] - [ 0.0000138000000000, -0.0003975300000000, 0.0003189100000000 ] - [ 0.0001751100000000, 0.0000004800000000, -0.0005164500000000 ] - [ -0.0001018900000000, 0.0001633900000000, 0.0005321100000000 ] - [ -0.0000905800000000, 0.0001462900000000, -0.0005300500000000 ] - [ 0.0002336300000000, 0.0001846500000000, -0.0001293700000000 ] - [ -0.0000518200000000, 0.0000968600000000, -0.0001915100000000 ] - [ 0.0000677300000000, -0.0009289400000000, -0.0004946600000000 ] - [ -0.0000727800000000, -0.0000652300000000, -0.0002247300000000 ] - [ -0.0000583500000000, -0.0001515300000000, -0.0001301900000000 ] - [ 0.0001246300000000, -0.0000021800000000, -0.0002084400000000 ] - [ -0.0000844900000000, 0.0004438000000000, 0.0000097200000000 ] - [ 0.0000252400000000, 0.0002222800000000, -0.0001002600000000 ] - [ -0.0005125400000000, -0.0002170900000000, -0.0015776900000000 ] - [ -0.0002133300000000, -0.0001115000000000, -0.0001208900000000 ] - [ 0.0003264700000000, -0.0001672600000000, 0.0000041400000000 ] - [ 0.0001956900000000, -0.0001274000000000, -0.0000858300000000 ] - [ -0.0024541200000000, 0.0019434300000000, -0.0002527700000000 ] - [ -0.0002860000000000, -0.0001248600000000, 0.0004950400000000 ] - [ 0.0006552500000000, -0.0002371200000000, -0.0004506400000000 ] - [ 0.0002557800000000, -0.0001892900000000, 0.0004961100000000 ] - [ 0.0002114600000000, 0.0014989600000000, -0.0006730000000000 ] - [ 0.0000442600000000, 0.0003046600000000, 0.0005111800000000 ] - [ 0.0721103500000000, 0.0148547400000000, -0.0344708900000000 ] - [ -0.0000281300000000, -0.0000406700000000, 0.0003066300000000 ] - [ -0.0007804800000000, -0.0004681300000000, -0.0004096500000000 ] - [ 0.0000335100000000, -0.0000016400000000, 0.0003195900000000 ] - [ -0.0003594500000000, -0.0007820100000000, -0.0006705700000000 ] - [ -0.0000254200000000, 0.0000461800000000, 0.0003076100000000 ] - [ -0.0075071400000000, -0.0026178900000000, -0.0129867800000000 ] - [ -0.0002581400000000, -0.0001088700000000, 0.0003141600000000 ] - [ -0.0024813700000000, -0.0008581500000000, 0.0000842700000000 ] - [ 0.0002421200000000, -0.0001629000000000, 0.0002460300000000 ] - [ -0.0000434600000000, -0.0010713700000000, 0.0002876200000000 ] - [ 0.0000319600000000, 0.0002850200000000, 0.0002912300000000 ] - [ -0.0007288000000000, 0.0000844600000000, 0.0001782300000000 ] - [ -0.0001727200000000, -0.0001213900000000, 0.0005926000000000 ] - [ 0.0001553200000000, -0.0002621100000000, 0.0003338200000000 ] - [ 0.0001964700000000, -0.0001840800000000, 0.0004000900000000 ] - [ -0.0000695800000000, 0.0000354100000000, 0.0005147700000000 ] - [ 0.0001242400000000, 0.0003294200000000, 0.0005464000000000 ] - [ -0.0001231100000000, 0.0001498400000000, 0.0000147400000000 ] - [ -0.0000169600000000, -0.0000504200000000, 0.0002316300000000 ] - [ -0.0000450700000000, 0.0001052800000000, -0.0000715700000000 ] - [ 0.0000529500000000, -0.0000870200000000, 0.0002519900000000 ] - [ 0.0004685200000000, -0.0005913100000000, 0.0006028000000000 ] - [ -0.0000395600000000, 0.0000695500000000, 0.0002837500000000 ] - [ -0.0004204800000000, -0.0003272200000000, -0.0000252800000000 ] - [ -0.0003224600000000, -0.0001967600000000, 0.0001539400000000 ] - [ 0.0008789800000000, 0.0001545500000000, 0.0000689600000000 ] - [ 0.0000710800000000, -0.0002532000000000, 0.0010166100000000 ] - [ 0.0001759700000000, 0.0004353400000000, 0.0001178000000000 ] - [ -0.0001286200000000, 0.0003619700000000, 0.0001480100000000 ] - [ -0.0002523000000000, -0.0002548900000000, 0.0001300200000000 ] - [ -0.0002549300000000, -0.0001355400000000, 0.0004216900000000 ] - [ 0.0000530700000000, -0.0010369000000000, 0.0022682000000000 ] - [ 0.0002354600000000, -0.0001524900000000, 0.0004502700000000 ] - [ -0.0001087600000000, 0.0003596700000000, -0.0004614100000000 ] - [ 0.0000193900000000, 0.0002843500000000, 0.0004146900000000 ] - [ -0.0001178800000000, -0.0003661500000000, -0.0004094200000000 ] - [ -0.0000529200000000, -0.0000422000000000, 0.0003238900000000 ] - [ 0.0009438200000000, 0.0007041100000000, 0.0009795500000000 ] - [ 0.0000470000000000, -0.0000184900000000, 0.0004080400000000 ] - [ 0.0000485700000000, 0.0002379400000000, -0.0001313900000000 ] - [ -0.0000671700000000, 0.0000372700000000, 0.0003428500000000 ] - [ -0.0005700400000000, -0.0002023200000000, 0.0000904700000000 ] - [ -0.0002432200000000, -0.0001188700000000, 0.0002964000000000 ] - [ 0.0000959500000000, 0.0004818300000000, 0.0000658900000000 ] - [ 0.0002681100000000, -0.0001683300000000, 0.0002905400000000 ] - [ 0.0003838700000000, 0.0001619900000000, -0.0002765500000000 ] - [ 0.0000022700000000, 0.0002655600000000, 0.0003406500000000 ] - [ 0.0002154900000000, 0.0000907800000000, -0.0002024900000000 ] - [ -0.0006567300000000, -0.0001003900000000, 0.0000704100000000 ] - [ 0.0041116500000000, 0.0021229800000000, -0.0009200500000000 ] - [ -0.0000188500000000, 0.0000028100000000, -0.0001107500000000 ] - [ -0.0002637500000000, -0.0001981000000000, 0.0014046000000000 ] - [ 0.0000094100000000, -0.0000152500000000, 0.0001189900000000 ] - [ -0.0006781300000000, 0.0034499200000000, 0.0036401800000000 ] - [ -0.0000135600000000, -0.0000011700000000, -0.0008139200000000 ] - [ -0.0019918500000000, -0.0008461400000000, 0.0004300200000000 ] - [ 0.0002891200000000, -0.0000396500000000, -0.0008304800000000 ] - [ 0.0003851600000000, -0.0000716800000000, -0.0007471100000000 ] - [ -0.0000566400000000, 0.0000331600000000, -0.0007851300000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109342600000000, 0.0001888100000000, 0.0020284900000000 ] - [ 0.0000502900000000, 0.0001870400000000, 0.0000397200000000 ] - [ 0.0002640500000000, 0.0005967400000000, 0.0000898700000000 ] - [ -0.0001958700000000, -0.0000448500000000, 0.0000441200000000 ] - [ 0.0005050700000000, -0.0012888000000000, 0.0003455900000000 ] - [ 0.0001396700000000, -0.0001380000000000, 0.0000431000000000 ] - [ 0.0001960900000000, -0.0002190400000000, -0.0005558300000000 ] - [ -0.0001074000000000, -0.0000947300000000, -0.0002149800000000 ] - [ 0.0004206300000000, 0.0001054600000000, 0.0004762400000000 ] - [ 0.0001508700000000, -0.0000301200000000, -0.0002984300000000 ] - [ 0.0001993900000000, 0.0001927500000000, -0.0002187400000000 ] - [ -0.0000381600000000, 0.0001322900000000, -0.0002322700000000 ] - [ 0.0133994000000000, -0.0268076700000000, 0.0053349800000000 ] - [ -0.0000514800000000, 0.0001086800000000, -0.0001526300000000 ] - [ 0.0002238900000000, 0.0013308500000000, -0.0002296600000000 ] - [ -0.0000721800000000, -0.0000933700000000, -0.0001508500000000 ] - [ -0.0003847600000000, -0.0004417600000000, -0.0003434500000000 ] - [ 0.0001208100000000, -0.0000123600000000, -0.0001545800000000 ] - [ -0.1106718600000000, 0.1091795900000000, -0.0136664300000000 ] - [ 0.0000075300000000, 0.0002460700000000, -0.0000480900000000 ] - [ 0.0000033900000000, 0.0001336100000000, 0.0001080900000000 ] - [ -0.0002202800000000, -0.0001129300000000, -0.0000558600000000 ] - [ 0.0015135600000000, -0.0010116500000000, -0.0001545500000000 ] - [ 0.0002078700000000, -0.0001334600000000, -0.0000436700000000 ] - [ 0.0002235500000000, 0.0001898100000000, 0.0000142400000000 ] - [ 0.0001071100000000, 0.0001715100000000, 0.0001103600000000 ] - [ -0.0005590200000000, 0.0003261900000000, 0.0003592500000000 ] - [ -0.0002268900000000, 0.0000094700000000, 0.0000144700000000 ] - [ 0.0001602300000000, -0.0004034200000000, 0.0000912000000000 ] - [ 0.0001245400000000, -0.0001391000000000, 0.0000494700000000 ] - [ -0.0001379600000000, -0.0000671100000000, -0.0001112900000000 ] - [ 0.0000106500000000, -0.0001231700000000, -0.0006579900000000 ] - [ -0.0001668900000000, -0.0001192200000000, 0.0004893800000000 ] - [ 0.0001549900000000, -0.0000147100000000, -0.0004000300000000 ] - [ -0.0001804500000000, 0.0001100100000000, -0.0004165400000000 ] - [ -0.0000403500000000, 0.0001424500000000, -0.0003377200000000 ] - [ -0.0005227800000000, 0.0001939400000000, -0.0000390300000000 ] - [ -0.0002051100000000, 0.0000942700000000, -0.0001517000000000 ] - [ 0.0003962000000000, -0.0009774500000000, -0.0001064100000000 ] - [ 0.0000306700000000, -0.0002455000000000, -0.0001382600000000 ] - [ -0.0003119700000000, 0.0002097600000000, -0.0001952100000000 ] - [ 0.0001221800000000, 0.0000697300000000, -0.0001351700000000 ] - [ 0.0001542400000000, 0.0001234600000000, 0.0000054600000000 ] - [ 0.0000990200000000, 0.0001291700000000, -0.0000466100000000 ] - [ 0.0000413500000000, 0.0000005800000000, 0.0004576500000000 ] - [ -0.0001857200000000, -0.0000808300000000, -0.0000956500000000 ] - [ 0.0001787900000000, -0.0000137100000000, -0.0005708400000000 ] - [ 0.0001247800000000, -0.0001118500000000, -0.0000165400000000 ] - [ -0.0001795500000000, 0.0000312200000000, -0.0000113200000000 ] - [ -0.0000523300000000, 0.0001041900000000, 0.0000056400000000 ] - [ 0.0007399000000000, -0.0005591000000000, -0.0000294200000000 ] - [ -0.0001181200000000, -0.0000824200000000, 0.0000323600000000 ] - [ -0.0001823500000000, 0.0007573000000000, -0.0009244000000000 ] - [ 0.0001108700000000, -0.0000628000000000, 0.0000419400000000 ] - [ 0.0009875100000000, -0.0031296900000000, -0.0094163700000000 ] - [ -0.0001080300000000, -0.0001033700000000, -0.0002291900000000 ] - [ -0.0002384500000000, 0.0003838000000000, 0.0000358900000000 ] - [ 0.0001501100000000, -0.0000472700000000, -0.0002386700000000 ] - [ -0.0000792800000000, -0.0003378100000000, -0.0005279700000000 ] - [ -0.0000427400000000, 0.0001433400000000, -0.0002520600000000 ] - [ 0.0007677700000000, 0.0000360400000000, -0.0003748700000000 ] - [ -0.0000543300000000, 0.0001024100000000, -0.0001013500000000 ] - [ -0.0001410700000000, 0.0005631800000000, 0.0001952500000000 ] - [ -0.0000741000000000, -0.0000818500000000, -0.0001721100000000 ] - [ 0.0000607000000000, -0.0002015100000000, -0.0001870700000000 ] - [ 0.0001326400000000, 0.0000142100000000, -0.0001630000000000 ] - [ 0.0001515600000000, -0.0000275900000000, 0.0000312000000000 ] - [ 0.0000965700000000, 0.0001413700000000, -0.0000439600000000 ] - [ 0.0001454900000000, -0.0000070300000000, 0.0006277100000000 ] - [ -0.0002017500000000, -0.0000782500000000, -0.0000530600000000 ] - [ 0.0001251100000000, -0.0000463400000000, -0.0001416500000000 ] - [ 0.0001540700000000, -0.0001114000000000, -0.0000216500000000 ] - [ -0.0047248000000000, 0.0170657500000000, 0.0002718700000000 ] - [ -0.0002763100000000, -0.0001692900000000, 0.0002441100000000 ] - [ 0.0010842700000000, -0.0009807200000000, 0.0000981600000000 ] - [ 0.0002936800000000, -0.0001623200000000, 0.0002476100000000 ] - [ -0.0006724300000000, 0.0028274500000000, 0.0000669900000000 ] - [ -0.0000069600000000, 0.0003278900000000, 0.0002612100000000 ] - [ 0.0982242300000000, -0.0954501300000000, 0.0099117500000000 ] - [ -0.0000308400000000, -0.0000905200000000, 0.0001067900000000 ] - [ 0.0009712000000000, -0.0009332000000000, 0.0001055300000000 ] - [ 0.0001042800000000, 0.0000099200000000, 0.0001050400000000 ] - [ -0.0001646700000000, 0.0032018000000000, 0.0005832800000000 ] - [ -0.0000671200000000, 0.0000717500000000, 0.0001195400000000 ] - [ -0.0029295300000000, 0.0009820800000000, -0.0008375400000000 ] - [ -0.0003007000000000, -0.0001637300000000, 0.0000035000000000 ] - [ -0.0050723500000000, -0.0019739100000000, 0.0009929000000000 ] - [ 0.0002663600000000, -0.0001818900000000, 0.0000675800000000 ] - [ -0.0006046500000000, 0.0009897000000000, -0.0001351600000000 ] - [ 0.0000104000000000, 0.0003374600000000, 0.0000165800000000 ] - [ -0.0005865900000000, -0.0000698100000000, 0.0003960800000000 ] - [ -0.0003711800000000, -0.0000663400000000, 0.0001739300000000 ] - [ 0.0001626400000000, -0.0005289600000000, -0.0004124800000000 ] - [ 0.0002335300000000, -0.0002278100000000, 0.0003291800000000 ] - [ -0.0000908800000000, 0.0004497600000000, 0.0002585700000000 ] - [ 0.0000302700000000, 0.0002777700000000, 0.0002050400000000 ] - [ 0.0003732600000000, 0.0001052200000000, -0.0001737000000000 ] - [ 0.0000513500000000, 0.0001083300000000, 0.0003024700000000 ] - [ -0.0005138700000000, 0.0010632000000000, -0.0013581900000000 ] - [ -0.0000244800000000, 0.0000914900000000, 0.0001658100000000 ] - [ 0.0011938700000000, -0.0007451500000000, 0.0003963300000000 ] - [ 0.0000198100000000, -0.0000667500000000, 0.0001515600000000 ] - [ 0.0005080500000000, 0.0004547100000000, 0.0012557200000000 ] - [ -0.0001609900000000, -0.0001587000000000, 0.0000054800000000 ] - [ -0.0003482300000000, 0.0001675300000000, 0.0004105500000000 ] - [ 0.0003839200000000, -0.0000387400000000, -0.0004787300000000 ] - [ 0.0004383100000000, -0.0005327200000000, 0.0002976600000000 ] - [ 0.0000735300000000, 0.0001880300000000, 0.0002060800000000 ] - [ -0.0000010400000000, 0.0001759400000000, -0.0000312100000000 ] - [ -0.0003045500000000, -0.0000478100000000, 0.0005136600000000 ] - [ -0.0004123900000000, 0.0005165500000000, -0.0014287100000000 ] - [ 0.0002164200000000, -0.0001658800000000, 0.0003024300000000 ] - [ 0.0011020000000000, -0.0004608100000000, 0.0002198500000000 ] - [ 0.0000423300000000, 0.0002505700000000, 0.0002570100000000 ] - [ -0.0007047100000000, 0.0000140300000000, 0.0001778400000000 ] - [ -0.0001260000000000, 0.0000083100000000, 0.0000516500000000 ] - [ -0.0004571700000000, -0.0004757200000000, -0.0003267200000000 ] - [ 0.0000496000000000, -0.0000240800000000, 0.0001768500000000 ] - [ -0.0000499300000000, 0.0001854500000000, 0.0001852900000000 ] - [ -0.0000595400000000, 0.0000006000000000, 0.0000897400000000 ] - [ 0.0001025000000000, 0.0009546600000000, 0.0051922300000000 ] - [ -0.0002464800000000, -0.0001832100000000, 0.0000163500000000 ] - [ 0.0013924100000000, -0.0008364400000000, -0.0007614000000000 ] - [ 0.0004384200000000, -0.0001457300000000, -0.0000383000000000 ] - [ -0.0003986000000000, 0.0011331900000000, 0.0000295300000000 ] - [ -0.0000591600000000, 0.0003359700000000, 0.0000566000000000 ] - [ 0.0003862800000000, 0.0000277100000000, 0.0004018800000000 ] - [ 0.0004258300000000, 0.0000713600000000, 0.0003803000000000 ] - [ -0.0048353500000000, -0.0016668000000000, 0.0035000700000000 ] - [ 0.0000048200000000, 0.0000407900000000, 0.0002231300000000 ] - [ -0.0039266100000000, -0.0035499600000000, 0.0041265800000000 ] - [ 0.0000130700000000, 0.0000202900000000, 0.0003798000000000 ] - [ 0.0054351700000000, 0.0000453200000000, -0.0009584900000000 ] - [ 0.0000311800000000, 0.0000002700000000, -0.0003261800000000 ] - [ -0.0012340300000000, -0.0000649300000000, -0.0039108400000000 ] - [ -0.0001924800000000, 0.0000864500000000, -0.0003004000000000 ] - [ -0.0020146700000000, -0.0012510900000000, -0.0007618500000000 ] - [ -0.0002298000000000, -0.0000222800000000, -0.0000423600000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0106202300000000, 0.0000962700000000, -0.0018880800000000 ] - [ 0.0000387700000000, 0.0001666700000000, 0.0000519800000000 ] - [ -0.0006360900000000, -0.0006885500000000, 0.0000054000000000 ] - [ -0.0001680200000000, -0.0000460300000000, 0.0000480300000000 ] - [ -0.0002335000000000, 0.0010260400000000, -0.0002526000000000 ] - [ 0.0001192100000000, -0.0001150400000000, 0.0000474200000000 ] - [ -0.0004032600000000, 0.0000092100000000, 0.0000906900000000 ] - [ -0.0001024400000000, -0.0001149900000000, -0.0002544100000000 ] - [ -0.0001353300000000, -0.0001792600000000, -0.0009320200000000 ] - [ 0.0001330300000000, -0.0000443800000000, -0.0001724500000000 ] - [ -0.0002770700000000, 0.0000924400000000, -0.0002468500000000 ] - [ -0.0000407100000000, 0.0001534000000000, -0.0002395300000000 ] - [ -0.0138914900000000, 0.0277132800000000, -0.0056096500000000 ] - [ -0.0000685500000000, 0.0001031100000000, -0.0001407800000000 ] - [ -0.0003438900000000, -0.0015305100000000, -0.0000610300000000 ] - [ -0.0000455900000000, -0.0001256000000000, -0.0001391200000000 ] - [ 0.0006230800000000, 0.0004326200000000, 0.0000477000000000 ] - [ 0.0001262400000000, 0.0000150000000000, -0.0001372200000000 ] - [ 0.1106586900000000, -0.1135864100000000, 0.0143117700000000 ] - [ 0.0000314400000000, 0.0002045500000000, -0.0000330400000000 ] - [ -0.0004161500000000, -0.0003333800000000, -0.0001884200000000 ] - [ -0.0001893000000000, -0.0000770200000000, -0.0000248300000000 ] - [ -0.0011243300000000, 0.0007361400000000, 0.0000723300000000 ] - [ 0.0001634100000000, -0.0001258300000000, -0.0000370100000000 ] - [ -0.0001259000000000, 0.0001701700000000, 0.0000857500000000 ] - [ -0.0000158000000000, 0.0001850900000000, -0.0000100700000000 ] - [ 0.0001864100000000, -0.0004129100000000, -0.0002563800000000 ] - [ -0.0001366000000000, -0.0001022100000000, 0.0000850300000000 ] - [ 0.0001012200000000, 0.0001382900000000, 0.0000090000000000 ] - [ 0.0001360500000000, -0.0001158500000000, 0.0000484900000000 ] - [ -0.0000801700000000, -0.0001383700000000, -0.0003723700000000 ] - [ -0.0002262600000000, -0.0000818700000000, 0.0001680300000000 ] - [ 0.0004444500000000, 0.0000346500000000, -0.0009594800000000 ] - [ 0.0001281300000000, -0.0000679700000000, -0.0000880400000000 ] - [ 0.0001107000000000, 0.0001803000000000, -0.0000657900000000 ] - [ -0.0000320700000000, 0.0001483100000000, -0.0001545300000000 ] - [ 0.0003882300000000, 0.0000127300000000, -0.0002486400000000 ] - [ 0.0000792600000000, 0.0001114900000000, -0.0001395700000000 ] - [ -0.0005013700000000, 0.0007466200000000, -0.0001809700000000 ] - [ -0.0001432600000000, 0.0000283300000000, -0.0001507200000000 ] - [ 0.0005570100000000, -0.0001903800000000, -0.0001004800000000 ] - [ 0.0001206800000000, -0.0000610300000000, -0.0001547500000000 ] - [ -0.0001082600000000, 0.0003381600000000, -0.0000828100000000 ] - [ -0.0000542200000000, 0.0003330100000000, -0.0000320500000000 ] - [ -0.0004606300000000, -0.0001898300000000, -0.0005292300000000 ] - [ -0.0002373100000000, -0.0001117500000000, 0.0000168000000000 ] - [ 0.0001994400000000, -0.0002564500000000, 0.0004939000000000 ] - [ 0.0002551500000000, -0.0001572200000000, -0.0000616500000000 ] - [ 0.0002577600000000, 0.0003087600000000, 0.0001037000000000 ] - [ 0.0001310600000000, 0.0002363900000000, 0.0000873500000000 ] - [ -0.0010696300000000, 0.0004557100000000, 0.0001236500000000 ] - [ -0.0002268900000000, -0.0000121500000000, 0.0000607700000000 ] - [ 0.0004227700000000, -0.0009802800000000, 0.0010154000000000 ] - [ 0.0001421700000000, -0.0001758100000000, 0.0000508000000000 ] - [ -0.0011988700000000, 0.0028950000000000, 0.0088125500000000 ] - [ -0.0001061900000000, -0.0001066300000000, -0.0002354000000000 ] - [ 0.0005214500000000, -0.0004633300000000, -0.0005131300000000 ] - [ 0.0001358500000000, -0.0000303900000000, -0.0002273500000000 ] - [ 0.0000023800000000, 0.0006202000000000, 0.0000521000000000 ] - [ -0.0000350100000000, 0.0001463400000000, -0.0002168800000000 ] - [ -0.0009002400000000, 0.0001687600000000, 0.0000747500000000 ] - [ -0.0000848700000000, 0.0001037100000000, -0.0001958800000000 ] - [ 0.0000317100000000, -0.0007805900000000, -0.0004927000000000 ] - [ -0.0000346900000000, -0.0001426200000000, -0.0001244900000000 ] - [ 0.0001875100000000, 0.0002182600000000, -0.0001107500000000 ] - [ 0.0001158700000000, 0.0000045600000000, -0.0001342500000000 ] - [ -0.0001109200000000, 0.0004882700000000, -0.0001028100000000 ] - [ -0.0000566700000000, 0.0003226600000000, -0.0000284400000000 ] - [ -0.0005594800000000, -0.0001830700000000, -0.0006904500000000 ] - [ -0.0002197800000000, -0.0001184500000000, -0.0000189300000000 ] - [ 0.0002525100000000, -0.0002194100000000, 0.0000688100000000 ] - [ 0.0002303600000000, -0.0001544000000000, -0.0000502200000000 ] - [ 0.0042070900000000, -0.0169285700000000, 0.0001677100000000 ] - [ -0.0002826200000000, -0.0001320500000000, 0.0002161500000000 ] - [ -0.0005119600000000, 0.0006476900000000, 0.0003589800000000 ] - [ 0.0002639700000000, -0.0001833200000000, 0.0002075300000000 ] - [ 0.0006842700000000, -0.0021596300000000, 0.0003914600000000 ] - [ 0.0000326800000000, 0.0003055500000000, 0.0001984100000000 ] - [ -0.0979610300000000, 0.0992496100000000, -0.0104203500000000 ] - [ -0.0000298300000000, -0.0000469900000000, 0.0000726800000000 ] - [ -0.0008147300000000, 0.0009586700000000, 0.0000741600000000 ] - [ 0.0000399800000000, 0.0000156500000000, 0.0000766600000000 ] - [ 0.0000724900000000, -0.0030468700000000, -0.0003966400000000 ] - [ -0.0000298700000000, 0.0000447300000000, 0.0000645700000000 ] - [ 0.0023133200000000, -0.0013315100000000, 0.0008721600000000 ] - [ -0.0002737600000000, -0.0001545300000000, 0.0000279400000000 ] - [ 0.0055654500000000, 0.0016100300000000, -0.0009564500000000 ] - [ 0.0002993000000000, -0.0001605000000000, -0.0000377800000000 ] - [ 0.0006199800000000, -0.0003204100000000, 0.0001618800000000 ] - [ 0.0000000200000000, 0.0003218600000000, 0.0000135300000000 ] - [ 0.0000312300000000, -0.0001700900000000, 0.0000928400000000 ] - [ -0.0001784400000000, -0.0001707700000000, 0.0003179500000000 ] - [ 0.0003341300000000, 0.0001586900000000, 0.0008875500000000 ] - [ 0.0002595600000000, -0.0001378300000000, 0.0001580300000000 ] - [ 0.0001632000000000, 0.0001489700000000, 0.0002258200000000 ] - [ 0.0000430700000000, 0.0003135200000000, 0.0002841200000000 ] - [ -0.0004024500000000, -0.0001928000000000, 0.0003206300000000 ] - [ -0.0000866300000000, -0.0001979800000000, -0.0001458100000000 ] - [ 0.0005955500000000, -0.0010285600000000, 0.0014945700000000 ] - [ 0.0001173300000000, -0.0000707600000000, -0.0000067100000000 ] - [ -0.0012590600000000, 0.0008060800000000, -0.0002450800000000 ] - [ -0.0000885900000000, 0.0001389900000000, 0.0000082300000000 ] - [ -0.0010255000000000, -0.0007814000000000, -0.0011157200000000 ] - [ -0.0003713500000000, -0.0001828400000000, 0.0001109800000000 ] - [ 0.0009042000000000, -0.0004585900000000, -0.0002890900000000 ] - [ 0.0001878300000000, -0.0002546300000000, 0.0005821300000000 ] - [ -0.0004609700000000, 0.0011597700000000, -0.0001720500000000 ] - [ -0.0001021800000000, 0.0004479100000000, -0.0000934700000000 ] - [ -0.0005122500000000, -0.0004587800000000, 0.0003946400000000 ] - [ -0.0002116000000000, -0.0002383900000000, -0.0001450000000000 ] - [ 0.0009220900000000, -0.0008143800000000, 0.0017542000000000 ] - [ 0.0003025100000000, -0.0001451800000000, 0.0000586600000000 ] - [ -0.0010696000000000, 0.0010444300000000, 0.0001283700000000 ] - [ -0.0000273700000000, 0.0003371100000000, 0.0001090900000000 ] - [ 0.0006524300000000, -0.0001354700000000, 0.0000671400000000 ] - [ 0.0000777200000000, -0.0001320100000000, 0.0001899300000000 ] - [ 0.0005805400000000, 0.0004895100000000, 0.0005735100000000 ] - [ 0.0000803100000000, 0.0000460700000000, 0.0000701900000000 ] - [ -0.0000350400000000, -0.0000834600000000, 0.0000648800000000 ] - [ -0.0000304200000000, 0.0001003800000000, 0.0001573400000000 ] - [ -0.0006255100000000, -0.0012968100000000, -0.0050408600000000 ] - [ -0.0002824800000000, -0.0001659200000000, 0.0000706100000000 ] - [ -0.0008197200000000, 0.0005467800000000, 0.0008512200000000 ] - [ 0.0001301600000000, -0.0001398600000000, 0.0001240600000000 ] - [ 0.0003525500000000, -0.0004869800000000, 0.0000565700000000 ] - [ 0.0000200300000000, 0.0002992300000000, 0.0000288600000000 ] - [ -0.0003803500000000, -0.0000248500000000, 0.0002322300000000 ] - [ -0.0004197200000000, -0.0000678100000000, 0.0002462700000000 ] - [ 0.0047601300000000, 0.0015885900000000, -0.0028507200000000 ] - [ -0.0000104600000000, -0.0000367300000000, 0.0003824500000000 ] - [ 0.0038928300000000, 0.0035045600000000, -0.0030653600000000 ] - [ 0.0000008600000000, -0.0000245800000000, 0.0006209100000000 ] - [ -0.0054006000000000, -0.0000473400000000, 0.0003265200000000 ] - [ -0.0000340200000000, -0.0000014500000000, -0.0002846500000000 ] - [ 0.0012078000000000, 0.0000324800000000, 0.0032112800000000 ] - [ 0.0001835900000000, -0.0000863400000000, -0.0003229100000000 ] - [ 0.0020009100000000, 0.0012354500000000, 0.0001217400000000 ] - [ 0.0002280600000000, 0.0000201500000000, -0.0005846900000000 ]- atom: 19 displacement: [ -0.0049999999944369, 0.0086602540410562, 0.0000000000000000 ] forces: - [ -0.0111381700000000, -0.0079203500000000, -0.0025843600000000 ] - [ 0.0000330000000000, 0.0001510900000000, 0.0000587300000000 ] - [ 0.0006754100000000, -0.0007090600000000, -0.0001907300000000 ] - [ -0.0001511600000000, -0.0000461700000000, 0.0000560200000000 ] - [ -0.0005633500000000, 0.0019889600000000, -0.0003665300000000 ] - [ 0.0001089800000000, -0.0000982100000000, 0.0000528200000000 ] - [ -0.0003808100000000, 0.0001293000000000, 0.0006690500000000 ] - [ -0.0001076200000000, -0.0001130800000000, -0.0002247600000000 ] - [ -0.0002375700000000, -0.0004012800000000, -0.0009489300000000 ] - [ 0.0001311000000000, -0.0000471200000000, -0.0001304100000000 ] - [ -0.0002095300000000, 0.0000605500000000, -0.0003092100000000 ] - [ -0.0000300000000000, 0.0001552600000000, -0.0001826000000000 ] - [ -0.0111654300000000, 0.0084800100000000, 0.0006394800000000 ] - [ -0.0000882800000000, 0.0000998400000000, -0.0001289800000000 ] - [ 0.0010110200000000, -0.0016526700000000, 0.0000531400000000 ] - [ -0.0000311700000000, -0.0001417500000000, -0.0001258000000000 ] - [ 0.0003424200000000, 0.0006109800000000, -0.0000576400000000 ] - [ 0.0001340500000000, 0.0000370500000000, -0.0001235900000000 ] - [ 0.1586628600000000, -0.2988178300000000, 0.0519696700000000 ] - [ 0.0000435000000000, 0.0001770700000000, -0.0000225100000000 ] - [ 0.0001712700000000, 0.0016309700000000, 0.0000752900000000 ] - [ -0.0001698400000000, -0.0000494000000000, -0.0000081400000000 ] - [ -0.0014915300000000, 0.0011886600000000, 0.0000913300000000 ] - [ 0.0001288200000000, -0.0001234500000000, -0.0000234300000000 ] - [ -0.0003226400000000, 0.0000756800000000, 0.0000705500000000 ] - [ -0.0000641200000000, 0.0001774700000000, -0.0000263900000000 ] - [ 0.0005135100000000, -0.0006786300000000, -0.0002913400000000 ] - [ -0.0000787500000000, -0.0001674300000000, 0.0000651100000000 ] - [ 0.0001051400000000, 0.0006053000000000, -0.0000761700000000 ] - [ 0.0001505600000000, -0.0000686000000000, 0.0000695100000000 ] - [ -0.0000623500000000, -0.0000820700000000, -0.0003337200000000 ] - [ -0.0003275700000000, -0.0000299800000000, 0.0005698300000000 ] - [ 0.0005195000000000, 0.0000208900000000, -0.0012643500000000 ] - [ 0.0001232000000000, -0.0001292100000000, 0.0002408500000000 ] - [ -0.0001733200000000, 0.0002099600000000, -0.0006345700000000 ] - [ 0.0000353400000000, 0.0001169800000000, 0.0001926100000000 ] - [ 0.0008536700000000, 0.0000428900000000, -0.0003793900000000 ] - [ 0.0001906900000000, 0.0001314900000000, -0.0001329300000000 ] - [ -0.0008265700000000, 0.0014298700000000, -0.0002770800000000 ] - [ -0.0002225200000000, 0.0001479600000000, -0.0001468900000000 ] - [ 0.0000743000000000, -0.0012612200000000, -0.0003954700000000 ] - [ 0.0000657400000000, -0.0001912200000000, -0.0001565800000000 ] - [ -0.0002638300000000, 0.0005141600000000, -0.0000607700000000 ] - [ -0.0000934900000000, 0.0004084600000000, -0.0000263900000000 ] - [ -0.0006454600000000, -0.0004188100000000, -0.0008111600000000 ] - [ -0.0002752800000000, -0.0001768600000000, 0.0000513000000000 ] - [ 0.0007752200000000, -0.0001846000000000, 0.0003579700000000 ] - [ 0.0002968800000000, -0.0001710300000000, -0.0000388900000000 ] - [ 0.0007452200000000, 0.0006534000000000, 0.0001643400000000 ] - [ 0.0002493800000000, 0.0003222700000000, 0.0001254800000000 ] - [ -0.0016144200000000, 0.0008324800000000, 0.0001124400000000 ] - [ -0.0003463300000000, 0.0000493900000000, 0.0000989800000000 ] - [ 0.0006727900000000, -0.0024519500000000, 0.0007387800000000 ] - [ 0.0001480800000000, -0.0003139300000000, 0.0000715800000000 ] - [ -0.0028745200000000, 0.0045407000000000, 0.0135143500000000 ] - [ -0.0001040400000000, -0.0001070500000000, -0.0002290400000000 ] - [ 0.0010694800000000, 0.0004360600000000, 0.0004612500000000 ] - [ 0.0001338700000000, -0.0000250400000000, -0.0002265300000000 ] - [ -0.0000724800000000, 0.0009351600000000, 0.0000830400000000 ] - [ -0.0000384600000000, 0.0001352800000000, -0.0002167200000000 ] - [ -0.0014913700000000, 0.0001444500000000, 0.0002136900000000 ] - [ -0.0001245700000000, 0.0000975400000000, -0.0001967900000000 ] - [ 0.0003572300000000, -0.0013158100000000, -0.0002511800000000 ] - [ -0.0000030800000000, -0.0001844000000000, -0.0001418500000000 ] - [ 0.0003378100000000, 0.0005471700000000, -0.0000685000000000 ] - [ 0.0001441100000000, 0.0000582100000000, -0.0001022000000000 ] - [ -0.0001367000000000, 0.0005889000000000, -0.0001008400000000 ] - [ -0.0001059500000000, 0.0004043700000000, -0.0000254300000000 ] - [ -0.0007855200000000, -0.0004423900000000, -0.0010709200000000 ] - [ -0.0002531000000000, -0.0001977800000000, -0.0000036200000000 ] - [ 0.0006882100000000, -0.0001833800000000, -0.0000378800000000 ] - [ 0.0002944800000000, -0.0001615900000000, -0.0000399800000000 ] - [ 0.0169536700000000, -0.0124204900000000, 0.0011242500000000 ] - [ -0.0002857000000000, -0.0001044700000000, 0.0001899100000000 ] - [ -0.0022320300000000, -0.0017054700000000, 0.0001076700000000 ] - [ 0.0002425300000000, -0.0001983000000000, 0.0001840200000000 ] - [ 0.0010611500000000, -0.0035043800000000, 0.0005400800000000 ] - [ 0.0000604400000000, 0.0002968100000000, 0.0001761900000000 ] - [ -0.1653288100000000, 0.2960852100000000, -0.0562355400000000 ] - [ -0.0000200900000000, -0.0000203500000000, 0.0000293100000000 ] - [ -0.0022366900000000, -0.0012397300000000, -0.0001013500000000 ] - [ 0.0000052800000000, 0.0000086400000000, 0.0000337700000000 ] - [ 0.0005934800000000, -0.0029387900000000, -0.0001127600000000 ] - [ -0.0000031500000000, 0.0000186300000000, 0.0000259900000000 ] - [ 0.0084114800000000, -0.0001366500000000, -0.0001286500000000 ] - [ -0.0002631700000000, -0.0001659800000000, -0.0000028100000000 ] - [ 0.0076898200000000, 0.0040295500000000, -0.0011213800000000 ] - [ 0.0003015800000000, -0.0001458400000000, -0.0000772300000000 ] - [ 0.0000017700000000, 0.0004737100000000, -0.0000607100000000 ] - [ -0.0000181400000000, 0.0003232800000000, -0.0000389200000000 ] - [ 0.0002102200000000, -0.0002277200000000, -0.0002633800000000 ] - [ -0.0001338300000000, -0.0001924700000000, 0.0003148100000000 ] - [ 0.0002979000000000, 0.0005113000000000, 0.0009878600000000 ] - [ 0.0002440700000000, -0.0000654600000000, 0.0001265600000000 ] - [ -0.0001349000000000, -0.0000923300000000, 0.0003508100000000 ] - [ 0.0000190300000000, 0.0003018100000000, 0.0002305800000000 ] - [ -0.0006529700000000, -0.0005823300000000, 0.0005808400000000 ] - [ -0.0001565900000000, -0.0003128900000000, -0.0003116100000000 ] - [ 0.0010642200000000, -0.0016514400000000, 0.0023105600000000 ] - [ 0.0002311400000000, -0.0001019200000000, -0.0001613100000000 ] - [ -0.0015787300000000, 0.0011562500000000, 0.0013517300000000 ] - [ -0.0000936900000000, 0.0002608300000000, -0.0000941000000000 ] - [ -0.0017678500000000, -0.0014557800000000, -0.0021227700000000 ] - [ -0.0004804500000000, -0.0002832600000000, 0.0000420500000000 ] - [ 0.0015879200000000, -0.0007405200000000, -0.0009341300000000 ] - [ 0.0002191900000000, -0.0003440700000000, 0.0007911500000000 ] - [ -0.0004395800000000, 0.0017218100000000, -0.0006931600000000 ] - [ -0.0000197300000000, 0.0004875100000000, 0.0002854800000000 ] - [ -0.0008092700000000, -0.0009030600000000, 0.0004290900000000 ] - [ -0.0001992800000000, -0.0003560700000000, -0.0004674900000000 ] - [ 0.0012905900000000, -0.0012831500000000, 0.0025381200000000 ] - [ 0.0003918000000000, -0.0001068500000000, -0.0002054000000000 ] - [ -0.0014754400000000, 0.0014476800000000, 0.0015050600000000 ] - [ -0.0001009200000000, 0.0004248000000000, -0.0001567800000000 ] - [ 0.0010846000000000, -0.0000600000000000, 0.0000851500000000 ] - [ 0.0001290800000000, -0.0001760300000000, 0.0001993800000000 ] - [ 0.0005471000000000, 0.0009853900000000, 0.0006983200000000 ] - [ 0.0000674500000000, 0.0001463500000000, 0.0000662700000000 ] - [ -0.0003974300000000, -0.0002553600000000, 0.0001204100000000 ] - [ -0.0000779100000000, 0.0000905800000000, 0.0001117000000000 ] - [ -0.0002971000000000, -0.0013521000000000, -0.0076128500000000 ] - [ -0.0002476100000000, -0.0000562800000000, 0.0001211400000000 ] - [ -0.0011904300000000, 0.0001986000000000, -0.0000742200000000 ] - [ 0.0000011700000000, -0.0001517300000000, 0.0002006600000000 ] - [ 0.0006823200000000, -0.0012519700000000, 0.0002158700000000 ] - [ 0.0000960500000000, 0.0001374800000000, 0.0001354300000000 ] - [ -0.0004154400000000, -0.0001744100000000, 0.0002591000000000 ] - [ -0.0004464300000000, -0.0001862200000000, 0.0002389200000000 ] - [ 0.0038801300000000, 0.0067072000000000, -0.0047758200000000 ] - [ -0.0000164400000000, -0.0000437400000000, 0.0005274800000000 ] - [ 0.0040484800000000, 0.0074644600000000, -0.0060134600000000 ] - [ 0.0000057400000000, -0.0000399300000000, 0.0007655000000000 ] - [ -0.0067260900000000, -0.0021365600000000, -0.0002150300000000 ] - [ -0.0000301000000000, -0.0000085200000000, -0.0002161800000000 ] - [ 0.0015274300000000, 0.0021755500000000, 0.0070103700000000 ] - [ 0.0002288200000000, 0.0000476400000000, -0.0002923500000000 ] - [ 0.0019533100000000, 0.0022461600000000, 0.0009081000000000 ] - [ 0.0002310900000000, 0.0001525000000000, -0.0011063200000000 ]- atom: 19 displacement: [ 0.0049999999944369, -0.0086602540410562, 0.0000000000000000 ] forces: - [ 0.0115077900000000, 0.0085414000000000, 0.0027421800000000 ] - [ 0.0000564700000000, 0.0002030400000000, 0.0000331000000000 ] - [ -0.0010523500000000, 0.0006354600000000, 0.0002873900000000 ] - [ -0.0002134000000000, -0.0000445400000000, 0.0000363500000000 ] - [ 0.0008412300000000, -0.0022904000000000, 0.0004665600000000 ] - [ 0.0001501800000000, -0.0001553800000000, 0.0000378700000000 ] - [ 0.0001757500000000, -0.0003442600000000, -0.0011575300000000 ] - [ -0.0001022400000000, -0.0000963500000000, -0.0002432700000000 ] - [ 0.0005298900000000, 0.0003354500000000, 0.0004945600000000 ] - [ 0.0001528200000000, -0.0000275400000000, -0.0003403600000000 ] - [ 0.0001342200000000, 0.0002266300000000, -0.0001635600000000 ] - [ -0.0000487000000000, 0.0001302000000000, -0.0002882800000000 ] - [ 0.0112146600000000, -0.0079374200000000, -0.0011117200000000 ] - [ -0.0000313900000000, 0.0001119500000000, -0.0001643700000000 ] - [ -0.0011572400000000, 0.0014662100000000, -0.0003503500000000 ] - [ -0.0000868400000000, -0.0000769200000000, -0.0001641300000000 ] - [ -0.0001062900000000, -0.0006252400000000, -0.0002393900000000 ] - [ 0.0001128800000000, -0.0000349000000000, -0.0001681900000000 ] - [ -0.1452460100000000, 0.2747544500000000, -0.0462059500000000 ] - [ -0.0000047500000000, 0.0002740900000000, -0.0000585000000000 ] - [ -0.0005876800000000, -0.0018532600000000, -0.0001575300000000 ] - [ -0.0002401400000000, -0.0001411000000000, -0.0000726400000000 ] - [ 0.0019051900000000, -0.0014816600000000, -0.0001758100000000 ] - [ 0.0002433000000000, -0.0001359800000000, -0.0000571900000000 ] - [ 0.0004203600000000, 0.0002828300000000, 0.0000288600000000 ] - [ 0.0001570700000000, 0.0001789800000000, 0.0001278700000000 ] - [ -0.0008916800000000, 0.0005988400000000, 0.0003979200000000 ] - [ -0.0002865200000000, 0.0000767600000000, 0.0000346200000000 ] - [ 0.0001562300000000, -0.0008743600000000, 0.0001768100000000 ] - [ 0.0001097800000000, -0.0001874500000000, 0.0000285200000000 ] - [ -0.0001564000000000, -0.0001235100000000, -0.0001465400000000 ] - [ 0.0001135300000000, -0.0001755600000000, -0.0010657800000000 ] - [ -0.0002459600000000, -0.0001072000000000, 0.0008073700000000 ] - [ 0.0001598300000000, 0.0000471800000000, -0.0007322200000000 ] - [ 0.0001074400000000, 0.0000798100000000, 0.0001636400000000 ] - [ -0.0001082300000000, 0.0001735500000000, -0.0006870500000000 ] - [ -0.0009961200000000, 0.0001645200000000, 0.0000925600000000 ] - [ -0.0003203700000000, 0.0000737700000000, -0.0001581500000000 ] - [ 0.0007319400000000, -0.0016821700000000, -0.0000092300000000 ] - [ 0.0001122500000000, -0.0003686200000000, -0.0001418500000000 ] - [ 0.0001692300000000, 0.0012928700000000, 0.0001075600000000 ] - [ 0.0001780500000000, 0.0002028800000000, -0.0001328800000000 ] - [ 0.0003141400000000, -0.0000577100000000, -0.0000168700000000 ] - [ 0.0001400700000000, 0.0000509500000000, -0.0000520700000000 ] - [ 0.0002344000000000, 0.0002365600000000, 0.0007524500000000 ] - [ -0.0001467200000000, -0.0000143900000000, -0.0001312000000000 ] - [ -0.0004080400000000, -0.0000848000000000, -0.0004450600000000 ] - [ 0.0000815400000000, -0.0000976000000000, -0.0000388900000000 ] - [ -0.0006760400000000, -0.0003199600000000, -0.0000727900000000 ] - [ -0.0001725600000000, 0.0000168700000000, -0.0000330300000000 ] - [ 0.0013019800000000, -0.0009465700000000, -0.0000206200000000 ] - [ 0.0000029900000000, -0.0001449800000000, -0.0000062200000000 ] - [ -0.0004400900000000, 0.0022686500000000, -0.0006473500000000 ] - [ 0.0001047600000000, 0.0000769600000000, 0.0000211300000000 ] - [ 0.0027359500000000, -0.0048734000000000, -0.0143685700000000 ] - [ -0.0001102700000000, -0.0001028100000000, -0.0002342300000000 ] - [ -0.0008024500000000, -0.0005164000000000, -0.0009419800000000 ] - [ 0.0001522000000000, -0.0000530200000000, -0.0002382100000000 ] - [ -0.0000058400000000, -0.0006639500000000, -0.0005645100000000 ] - [ -0.0000390600000000, 0.0001545100000000, -0.0002511000000000 ] - [ 0.0013820100000000, 0.0000602700000000, -0.0005193100000000 ] - [ -0.0000136500000000, 0.0001086000000000, -0.0000995500000000 ] - [ -0.0004713900000000, 0.0011156100000000, -0.0000407200000000 ] - [ -0.0001065600000000, -0.0000387700000000, -0.0001547200000000 ] - [ -0.0000939600000000, -0.0005398800000000, -0.0002304200000000 ] - [ 0.0001040700000000, -0.0000403800000000, -0.0001956200000000 ] - [ 0.0001804700000000, -0.0001337000000000, 0.0000303900000000 ] - [ 0.0001471100000000, 0.0000581300000000, -0.0000468800000000 ] - [ 0.0003769800000000, 0.0002524700000000, 0.0010202400000000 ] - [ -0.0001682500000000, 0.0000017500000000, -0.0000685700000000 ] - [ -0.0003190900000000, -0.0000819500000000, -0.0000331300000000 ] - [ 0.0000895000000000, -0.0001039300000000, -0.0000315500000000 ] - [ -0.0182208300000000, 0.0126444800000000, -0.0007579000000000 ] - [ -0.0002734800000000, -0.0001980300000000, 0.0002697600000000 ] - [ 0.0028468500000000, 0.0013815600000000, 0.0003522400000000 ] - [ 0.0003162300000000, -0.0001472600000000, 0.0002706500000000 ] - [ -0.0010607800000000, 0.0042311100000000, -0.0000845900000000 ] - [ -0.0000355900000000, 0.0003372200000000, 0.0002830900000000 ] - [ 0.1524534200000000, -0.2724234400000000, 0.0508822900000000 ] - [ -0.0000409700000000, -0.0001179800000000, 0.0001496700000000 ] - [ 0.0024290500000000, 0.0012875500000000, 0.0002912700000000 ] - [ 0.0001400600000000, 0.0000168300000000, 0.0001474100000000 ] - [ -0.0006965800000000, 0.0031409400000000, 0.0003078300000000 ] - [ -0.0000944200000000, 0.0000986700000000, 0.0001576000000000 ] - [ -0.0091672800000000, -0.0002002800000000, 0.0001679100000000 ] - [ -0.0003128200000000, -0.0001525900000000, 0.0000330500000000 ] - [ -0.0073106200000000, -0.0044831300000000, 0.0011798200000000 ] - [ 0.0002646900000000, -0.0001977100000000, 0.0001068600000000 ] - [ 0.0000082100000000, 0.0001886500000000, 0.0000926600000000 ] - [ 0.0000292300000000, 0.0003372200000000, 0.0000682500000000 ] - [ -0.0007700900000000, -0.0000079600000000, 0.0007671500000000 ] - [ -0.0004180800000000, -0.0000437700000000, 0.0001747300000000 ] - [ 0.0001942600000000, -0.0008929700000000, -0.0005175000000000 ] - [ 0.0002495900000000, -0.0003022700000000, 0.0003610200000000 ] - [ 0.0002111700000000, 0.0006929300000000, 0.0001382700000000 ] - [ 0.0000543100000000, 0.0002897200000000, 0.0002572900000000 ] - [ 0.0006302000000000, 0.0005029700000000, -0.0004379900000000 ] - [ 0.0001231300000000, 0.0002271100000000, 0.0004731100000000 ] - [ -0.0009972500000000, 0.0017108900000000, -0.0022089800000000 ] - [ -0.0001403000000000, 0.0001238300000000, 0.0003226800000000 ] - [ 0.0015465400000000, -0.0011073500000000, -0.0012163000000000 ] - [ 0.0000258100000000, -0.0001918000000000, 0.0002552900000000 ] - [ 0.0012629500000000, 0.0011378500000000, 0.0022811000000000 ] - [ -0.0000500300000000, -0.0000571600000000, 0.0000726900000000 ] - [ -0.0010436700000000, 0.0004592100000000, 0.0010643000000000 ] - [ 0.0003535500000000, 0.0000523400000000, -0.0006966800000000 ] - [ 0.0004211200000000, -0.0011112500000000, 0.0008275000000000 ] - [ -0.0000093600000000, 0.0001475600000000, -0.0001807300000000 ] - [ 0.0003018400000000, 0.0006310100000000, -0.0000712100000000 ] - [ -0.0003174400000000, 0.0000713800000000, 0.0008410800000000 ] - [ -0.0007931500000000, 0.0009968200000000, -0.0022337200000000 ] - [ 0.0001265300000000, -0.0002046200000000, 0.0005693000000000 ] - [ 0.0015214300000000, -0.0008817300000000, -0.0011826300000000 ] - [ 0.0001165700000000, 0.0001622000000000, 0.0005248200000000 ] - [ -0.0011554800000000, -0.0000625800000000, 0.0001589500000000 ] - [ -0.0001797900000000, 0.0000527600000000, 0.0000407400000000 ] - [ -0.0004295900000000, -0.0009828500000000, -0.0004623900000000 ] - [ 0.0000635200000000, -0.0001262200000000, 0.0001813200000000 ] - [ 0.0003187200000000, 0.0003633000000000, 0.0001275800000000 ] - [ -0.0000123500000000, 0.0000105600000000, 0.0001353200000000 ] - [ -0.0002273000000000, 0.0010285700000000, 0.0078993000000000 ] - [ -0.0002828500000000, -0.0002943300000000, -0.0000363300000000 ] - [ 0.0017910400000000, -0.0004989000000000, 0.0001564200000000 ] - [ 0.0005717600000000, -0.0001350900000000, -0.0001183600000000 ] - [ -0.0007347000000000, 0.0019208900000000, -0.0001314200000000 ] - [ -0.0001360900000000, 0.0005012200000000, -0.0000522600000000 ] - [ 0.0004276900000000, 0.0001797800000000, 0.0003732200000000 ] - [ 0.0004592500000000, 0.0001929000000000, 0.0003914100000000 ] - [ -0.0040048500000000, -0.0068732300000000, 0.0055204500000000 ] - [ 0.0000108200000000, 0.0000482100000000, 0.0000770300000000 ] - [ -0.0041515200000000, -0.0076456600000000, 0.0071736700000000 ] - [ 0.0000082500000000, 0.0000362700000000, 0.0002334200000000 ] - [ 0.0068731300000000, 0.0021703600000000, -0.0004060400000000 ] - [ 0.0000276600000000, 0.0000073700000000, -0.0003935700000000 ] - [ -0.0015624400000000, -0.0022141800000000, -0.0077820600000000 ] - [ -0.0002395800000000, -0.0000491900000000, -0.0003282500000000 ] - [ -0.0020053300000000, -0.0022959100000000, -0.0015644900000000 ] - [ -0.0002359600000000, -0.0001570300000000, 0.0004916000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0023341000000000, -0.0003189500000000, -0.0002460300000000 ] - [ 0.0000747200000000, 0.0001899500000000, 0.0001092500000000 ] - [ -0.0003036500000000, -0.0000698100000000, -0.0001870600000000 ] - [ -0.0002107300000000, -0.0000237300000000, 0.0001049500000000 ] - [ 0.0003188900000000, -0.0003570000000000, 0.0000446700000000 ] - [ 0.0001257000000000, -0.0001657200000000, 0.0001047400000000 ] - [ -0.0001326300000000, -0.0000945400000000, -0.0008107400000000 ] - [ -0.0001256900000000, -0.0000578800000000, 0.0000578800000000 ] - [ 0.0003599800000000, 0.0000753300000000, -0.0007003900000000 ] - [ 0.0001100100000000, -0.0000870500000000, 0.0000829200000000 ] - [ -0.0002112100000000, 0.0001219000000000, -0.0008039300000000 ] - [ 0.0000106000000000, 0.0001338600000000, 0.0000665400000000 ] - [ -0.0007527300000000, 0.0087747200000000, -0.0007603100000000 ] - [ -0.0000746500000000, 0.0001096300000000, -0.0000860900000000 ] - [ -0.0000437000000000, 0.0000142500000000, -0.0005342800000000 ] - [ -0.0000521900000000, -0.0001257500000000, -0.0000803700000000 ] - [ 0.0000676600000000, -0.0000140700000000, -0.0003676500000000 ] - [ 0.0001318100000000, 0.0000064700000000, -0.0000883800000000 ] - [ -0.0145817700000000, 0.0497676600000000, -0.0402822200000000 ] - [ 0.0000119800000000, 0.0002414900000000, 0.0000347400000000 ] - [ -0.0002238600000000, -0.0002360900000000, -0.0000387100000000 ] - [ -0.0002181800000000, -0.0001064400000000, 0.0000221600000000 ] - [ 0.0003026500000000, -0.0003698900000000, -0.0000384600000000 ] - [ 0.0002177600000000, -0.0001303400000000, 0.0000220600000000 ] - [ -0.0000982900000000, 0.0001590000000000, 0.0000131800000000 ] - [ 0.0000698200000000, 0.0001710900000000, 0.0000915300000000 ] - [ 0.0002571400000000, -0.0001471900000000, 0.0001850700000000 ] - [ -0.0002647400000000, 0.0000081600000000, 0.0001546800000000 ] - [ 0.0000883000000000, -0.0001684900000000, 0.0000648600000000 ] - [ 0.0001379300000000, -0.0001674400000000, 0.0000927600000000 ] - [ -0.0001025000000000, -0.0001502800000000, -0.0000763000000000 ] - [ -0.0001151100000000, -0.0000435700000000, -0.0000887300000000 ] - [ 0.0003400400000000, -0.0001355300000000, -0.0002601300000000 ] - [ 0.0001129800000000, -0.0000410200000000, -0.0000348100000000 ] - [ 0.0004341800000000, 0.0001709900000000, 0.0008476700000000 ] - [ 0.0000947600000000, 0.0000909500000000, 0.0003875800000000 ] - [ -0.0000328000000000, 0.0000674900000000, -0.0001914600000000 ] - [ -0.0000933700000000, 0.0001054200000000, -0.0000815800000000 ] - [ -0.0000712000000000, -0.0001528900000000, -0.0001839100000000 ] - [ -0.0000570300000000, -0.0001161300000000, -0.0000947500000000 ] - [ 0.0003860000000000, 0.0003268100000000, 0.0013953100000000 ] - [ 0.0001632200000000, 0.0000759100000000, -0.0000602300000000 ] - [ 0.0000895500000000, 0.0001937800000000, -0.0000738900000000 ] - [ 0.0000141000000000, 0.0002397600000000, 0.0000123700000000 ] - [ -0.0001031000000000, -0.0001555200000000, -0.0000063500000000 ] - [ -0.0002217600000000, -0.0000861700000000, 0.0000175300000000 ] - [ -0.0008624400000000, -0.0002919600000000, 0.0001330900000000 ] - [ 0.0002227600000000, -0.0001337400000000, 0.0000341000000000 ] - [ 0.0003196400000000, 0.0003427700000000, -0.0000062700000000 ] - [ 0.0000182700000000, 0.0001490000000000, 0.0000931900000000 ] - [ -0.0002938600000000, 0.0000383400000000, -0.0000440700000000 ] - [ -0.0001561700000000, -0.0000511800000000, 0.0000884800000000 ] - [ -0.0010391200000000, 0.0007234600000000, 0.0013195400000000 ] - [ 0.0001298200000000, -0.0001779500000000, 0.0001011800000000 ] - [ -0.0046541800000000, 0.0044745200000000, -0.0034041900000000 ] - [ -0.0001282100000000, -0.0000552000000000, 0.0000948000000000 ] - [ 0.0003342400000000, 0.0005265500000000, -0.0010491200000000 ] - [ 0.0001042100000000, -0.0000840800000000, 0.0000946900000000 ] - [ -0.0001594000000000, 0.0001055600000000, -0.0007176600000000 ] - [ 0.0000235800000000, 0.0001515400000000, 0.0001086500000000 ] - [ -0.0004243500000000, 0.0001066800000000, -0.0001377700000000 ] - [ -0.0000257100000000, 0.0001046400000000, -0.0001105900000000 ] - [ 0.0002685200000000, 0.0001147800000000, 0.0002434500000000 ] - [ -0.0000845200000000, -0.0001057100000000, -0.0000538500000000 ] - [ 0.0001257700000000, -0.0000442200000000, -0.0001827000000000 ] - [ 0.0001020900000000, -0.0000273400000000, -0.0001276700000000 ] - [ 0.0000634100000000, 0.0002326500000000, -0.0000692600000000 ] - [ 0.0000117100000000, 0.0002438100000000, 0.0000151800000000 ] - [ -0.0000834500000000, -0.0006367000000000, 0.0001348600000000 ] - [ -0.0002337500000000, -0.0000858200000000, 0.0000372600000000 ] - [ -0.0005824600000000, -0.0002503000000000, -0.0000015500000000 ] - [ 0.0002848300000000, -0.0001207400000000, 0.0000204600000000 ] - [ -0.0007041200000000, 0.0013092700000000, 0.0128617200000000 ] - [ -0.0002754200000000, -0.0001827400000000, -0.0000854300000000 ] - [ 0.0005209300000000, -0.0000048600000000, 0.0011475500000000 ] - [ 0.0003081000000000, -0.0001585900000000, -0.0000844100000000 ] - [ -0.0000624400000000, 0.0006992700000000, 0.0005859900000000 ] - [ -0.0000255700000000, 0.0003244200000000, -0.0000937000000000 ] - [ 0.0180267000000000, -0.0607536000000000, 0.0286467900000000 ] - [ -0.0000184200000000, -0.0000967600000000, -0.0001508100000000 ] - [ 0.0001462100000000, 0.0001772100000000, 0.0006444900000000 ] - [ 0.0000909500000000, 0.0000189500000000, -0.0001352900000000 ] - [ 0.0001097300000000, 0.0005778300000000, 0.0004322500000000 ] - [ -0.0000888200000000, 0.0000737000000000, -0.0001437100000000 ] - [ -0.0024762800000000, -0.0006964800000000, 0.0004346600000000 ] - [ -0.0003044800000000, -0.0001873500000000, -0.0002567100000000 ] - [ -0.0009249400000000, -0.0005331700000000, 0.0008905200000000 ] - [ 0.0003296400000000, -0.0001686000000000, -0.0002803700000000 ] - [ 0.0000868500000000, 0.0001716500000000, 0.0006100700000000 ] - [ -0.0000160700000000, 0.0003716400000000, -0.0002661300000000 ] - [ -0.0002085800000000, -0.0000904900000000, 0.0006034300000000 ] - [ -0.0002767900000000, -0.0001216400000000, -0.0000373700000000 ] - [ -0.0001146600000000, -0.0001980800000000, 0.0004617900000000 ] - [ 0.0003118900000000, -0.0001915300000000, -0.0000528900000000 ] - [ 0.0006078300000000, 0.0003609700000000, 0.0004851300000000 ] - [ -0.0000136200000000, 0.0003057900000000, -0.0000409000000000 ] - [ -0.0000807600000000, 0.0001505900000000, 0.0001795700000000 ] - [ -0.0000015500000000, -0.0000717400000000, -0.0001313300000000 ] - [ -0.0000918400000000, 0.0001848500000000, 0.0001402400000000 ] - [ 0.0000746400000000, 0.0000085100000000, -0.0001429500000000 ] - [ 0.0005381900000000, 0.0010662200000000, -0.0018390600000000 ] - [ -0.0000747300000000, -0.0000168000000000, -0.0001509800000000 ] - [ -0.0001815900000000, -0.0001850500000000, 0.0002381600000000 ] - [ -0.0002746800000000, -0.0001434800000000, -0.0001300000000000 ] - [ 0.0005046800000000, -0.0002407700000000, -0.0001202600000000 ] - [ 0.0002062700000000, -0.0001340000000000, 0.0000725500000000 ] - [ -0.0003046400000000, -0.0009486700000000, -0.0004720100000000 ] - [ -0.0001613500000000, 0.0004604200000000, -0.0007823800000000 ] - [ -0.0004810100000000, -0.0001685800000000, 0.0001905800000000 ] - [ -0.0002389700000000, -0.0001605100000000, 0.0000070200000000 ] - [ 0.0002403900000000, -0.0002167700000000, 0.0012380700000000 ] - [ 0.0002626600000000, -0.0001578300000000, -0.0000509900000000 ] - [ 0.0006997100000000, 0.0006752200000000, -0.0015937300000000 ] - [ -0.0000964100000000, 0.0003217400000000, -0.0003242800000000 ] - [ 0.0001669700000000, -0.0000535000000000, 0.0001402300000000 ] - [ -0.0000486700000000, -0.0000884400000000, -0.0000443400000000 ] - [ -0.0003334700000000, 0.0001494700000000, -0.0001428200000000 ] - [ 0.0001669500000000, -0.0000152500000000, -0.0001017600000000 ] - [ 0.0004395900000000, 0.0000713900000000, 0.0001494600000000 ] - [ -0.0001101600000000, 0.0000861500000000, -0.0000160100000000 ] - [ 0.0003547500000000, -0.0011514300000000, 0.0009347600000000 ] - [ -0.0003151200000000, -0.0002263100000000, -0.0002612200000000 ] - [ 0.0001622600000000, -0.0010550300000000, -0.0002167100000000 ] - [ 0.0003651100000000, -0.0001348800000000, -0.0002677200000000 ] - [ 0.0001311600000000, 0.0000308400000000, 0.0003860800000000 ] - [ -0.0000708200000000, 0.0005136600000000, -0.0003795800000000 ] - [ -0.0000094000000000, 0.0000824200000000, 0.0005077200000000 ] - [ 0.0001099900000000, 0.0000439800000000, 0.0006550900000000 ] - [ 0.0012871900000000, -0.0036584900000000, 0.0004642300000000 ] - [ -0.0000223500000000, 0.0000587700000000, 0.0007506700000000 ] - [ 0.0004012000000000, -0.0025559200000000, 0.0002160200000000 ] - [ -0.0000031100000000, 0.0000203800000000, 0.0009436300000000 ] - [ 0.0009277400000000, 0.0003679600000000, -0.0011145300000000 ] - [ -0.0000092100000000, -0.0000126600000000, 0.0001974300000000 ] - [ -0.0005190300000000, 0.0028736500000000, -0.0010159400000000 ] - [ 0.0001252000000000, -0.0002469300000000, 0.0002651700000000 ] - [ -0.0002988600000000, 0.0009229100000000, 0.0005978700000000 ] - [ 0.0000903100000000, -0.0002254200000000, 0.0004974600000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0022740300000000, 0.0006719900000000, 0.0003161800000000 ] - [ 0.0000148100000000, 0.0001637700000000, -0.0000172700000000 ] - [ -0.0000578500000000, -0.0000170400000000, 0.0002776200000000 ] - [ -0.0001534000000000, -0.0000668400000000, -0.0000124900000000 ] - [ -0.0000568100000000, 0.0000993400000000, 0.0000433700000000 ] - [ 0.0001329900000000, -0.0000875200000000, -0.0000139400000000 ] - [ -0.0000782700000000, -0.0001172500000000, 0.0003290900000000 ] - [ -0.0000839600000000, -0.0001519800000000, -0.0005275200000000 ] - [ -0.0000746800000000, -0.0001489000000000, 0.0002193700000000 ] - [ 0.0001737700000000, 0.0000127600000000, -0.0005535800000000 ] - [ 0.0001300200000000, 0.0001645300000000, 0.0003211400000000 ] - [ -0.0000894300000000, 0.0001518500000000, -0.0005380400000000 ] - [ 0.0005758100000000, -0.0086127900000000, 0.0003063800000000 ] - [ -0.0000455300000000, 0.0001022100000000, -0.0002072200000000 ] - [ -0.0000787000000000, -0.0002395900000000, 0.0002456200000000 ] - [ -0.0000654000000000, -0.0000933700000000, -0.0002094400000000 ] - [ 0.0001725700000000, 0.0000172100000000, 0.0000732600000000 ] - [ 0.0001152900000000, -0.0000036500000000, -0.0002032600000000 ] - [ 0.0133742600000000, -0.0472046400000000, 0.0385816000000000 ] - [ 0.0000271800000000, 0.0002087900000000, -0.0001157900000000 ] - [ -0.0001836200000000, 0.0000492900000000, -0.0000427400000000 ] - [ -0.0001911000000000, -0.0000830200000000, -0.0001026000000000 ] - [ 0.0000699600000000, 0.0001068000000000, -0.0000425300000000 ] - [ 0.0001531800000000, -0.0001289400000000, -0.0001026900000000 ] - [ 0.0001862500000000, 0.0001968500000000, 0.0000857800000000 ] - [ 0.0000199900000000, 0.0001852500000000, 0.0000081800000000 ] - [ -0.0006132700000000, 0.0000509200000000, -0.0000860000000000 ] - [ -0.0000965700000000, -0.0001024300000000, -0.0000557500000000 ] - [ 0.0001716600000000, -0.0000842600000000, 0.0000326900000000 ] - [ 0.0001225800000000, -0.0000865000000000, 0.0000059400000000 ] - [ -0.0001152700000000, -0.0000528100000000, -0.0004048500000000 ] - [ -0.0001036100000000, -0.0001606000000000, -0.0003922200000000 ] - [ -0.0000578200000000, 0.0000506500000000, -0.0002225300000000 ] - [ 0.0001694800000000, -0.0000417300000000, -0.0004503500000000 ] - [ -0.0005112600000000, 0.0001188400000000, -0.0013462800000000 ] - [ -0.0001654500000000, 0.0001986100000000, -0.0008702400000000 ] - [ -0.0000872800000000, 0.0001378100000000, -0.0001015900000000 ] - [ -0.0000295100000000, 0.0001006700000000, -0.0002096400000000 ] - [ -0.0000437600000000, -0.0000600700000000, -0.0001065000000000 ] - [ -0.0000575800000000, -0.0000977800000000, -0.0001942100000000 ] - [ -0.0001414500000000, -0.0003184400000000, -0.0016669500000000 ] - [ 0.0000782200000000, -0.0000706900000000, -0.0002303900000000 ] - [ -0.0000444800000000, 0.0002681100000000, -0.0000056700000000 ] - [ 0.0000298000000000, 0.0002239500000000, -0.0000905700000000 ] - [ -0.0003185100000000, -0.0000369700000000, -0.0000739100000000 ] - [ -0.0002016500000000, -0.0001073300000000, -0.0000954700000000 ] - [ 0.0012293900000000, 0.0000226900000000, -0.0002123600000000 ] - [ 0.0001576600000000, -0.0001357100000000, -0.0001121700000000 ] - [ -0.0002384200000000, -0.0000005800000000, 0.0001025800000000 ] - [ 0.0000630600000000, 0.0001935400000000, 0.0000008700000000 ] - [ -0.0000532600000000, -0.0001329200000000, 0.0001445600000000 ] - [ -0.0001906900000000, -0.0000424500000000, 0.0000050100000000 ] - [ 0.0013123500000000, -0.0009791600000000, -0.0012401400000000 ] - [ 0.0001236900000000, -0.0000641000000000, -0.0000080500000000 ] - [ 0.0044127800000000, -0.0046672600000000, 0.0029558600000000 ] - [ -0.0000857600000000, -0.0001550400000000, -0.0005602100000000 ] - [ -0.0000467400000000, -0.0006012300000000, 0.0006005700000000 ] - [ 0.0001816700000000, 0.0000068300000000, -0.0005613100000000 ] - [ 0.0000843500000000, 0.0001847900000000, 0.0002609700000000 ] - [ -0.0001014700000000, 0.0001381800000000, -0.0005778500000000 ] - [ 0.0002899500000000, 0.0000994300000000, -0.0001588200000000 ] - [ -0.0001126300000000, 0.0001014900000000, -0.0001876700000000 ] - [ -0.0003806900000000, -0.0003441900000000, -0.0005411500000000 ] - [ -0.0000247200000000, -0.0001184400000000, -0.0002423800000000 ] - [ 0.0001228700000000, 0.0000644100000000, -0.0001124900000000 ] - [ 0.0001460000000000, 0.0000452900000000, -0.0001699300000000 ] - [ -0.0000247800000000, 0.0002326000000000, -0.0000010300000000 ] - [ 0.0000262400000000, 0.0002229600000000, -0.0000878300000000 ] - [ -0.0003450800000000, 0.0004420300000000, -0.0002104400000000 ] - [ -0.0001888000000000, -0.0001119800000000, -0.0001090700000000 ] - [ 0.0009809100000000, -0.0000135900000000, -0.0000690400000000 ] - [ 0.0001025700000000, -0.0001452800000000, -0.0000926200000000 ] - [ 0.0002319800000000, -0.0016958300000000, -0.0122725200000000 ] - [ -0.0002832100000000, -0.0001177100000000, 0.0005453000000000 ] - [ 0.0000313800000000, -0.0003519500000000, -0.0006969000000000 ] - [ 0.0002486800000000, -0.0001872200000000, 0.0005390300000000 ] - [ 0.0000837400000000, -0.0000691000000000, -0.0001306600000000 ] - [ 0.0000517800000000, 0.0003080300000000, 0.0005524000000000 ] - [ -0.0168238200000000, 0.0585175100000000, -0.0268340200000000 ] - [ -0.0000416200000000, -0.0000400400000000, 0.0003301100000000 ] - [ -0.0000021900000000, -0.0001471600000000, -0.0004636900000000 ] - [ 0.0000522800000000, 0.0000065800000000, 0.0003169500000000 ] - [ -0.0001955800000000, -0.0004367800000000, -0.0002438000000000 ] - [ -0.0000076200000000, 0.0000420600000000, 0.0003279900000000 ] - [ 0.0018819100000000, 0.0003776100000000, -0.0003883100000000 ] - [ -0.0002695300000000, -0.0001312500000000, 0.0002881700000000 ] - [ 0.0015054200000000, 0.0001986200000000, -0.0008608200000000 ] - [ 0.0002360600000000, -0.0001731900000000, 0.0003098600000000 ] - [ -0.0000752200000000, 0.0004877100000000, -0.0005770100000000 ] - [ 0.0000259200000000, 0.0002875200000000, 0.0002959400000000 ] - [ -0.0003386000000000, -0.0001452100000000, -0.0001027900000000 ] - [ -0.0002705700000000, -0.0001151500000000, 0.0005289700000000 ] - [ 0.0006035200000000, -0.0001653300000000, 0.0000322900000000 ] - [ 0.0001791500000000, -0.0001724500000000, 0.0005385400000000 ] - [ -0.0005277800000000, 0.0002289600000000, 0.0000108300000000 ] - [ 0.0000875200000000, 0.0002843300000000, 0.0005286800000000 ] - [ 0.0000413000000000, -0.0002388300000000, -0.0000208300000000 ] - [ -0.0000350000000000, -0.0000194600000000, 0.0002849000000000 ] - [ 0.0001827600000000, -0.0001668600000000, 0.0000260400000000 ] - [ 0.0000198500000000, 0.0000110900000000, 0.0002998800000000 ] - [ -0.0005977900000000, -0.0009791700000000, 0.0019848400000000 ] - [ 0.0000061300000000, 0.0000919100000000, 0.0003093900000000 ] - [ -0.0003573800000000, -0.0001636700000000, -0.0001261000000000 ] - [ -0.0002602200000000, -0.0002015700000000, 0.0002434400000000 ] - [ 0.0000724400000000, -0.0000555100000000, 0.0002337200000000 ] - [ 0.0003657400000000, -0.0001612700000000, 0.0000387800000000 ] - [ 0.0002723000000000, 0.0015761200000000, 0.0005825000000000 ] - [ 0.0001337400000000, 0.0001759800000000, 0.0009051200000000 ] - [ -0.0000342800000000, -0.0001215500000000, 0.0001671800000000 ] - [ -0.0002753800000000, -0.0001281400000000, 0.0003538800000000 ] - [ 0.0002839800000000, -0.0000999800000000, -0.0008903700000000 ] - [ 0.0002574000000000, -0.0001526000000000, 0.0004092000000000 ] - [ -0.0007055600000000, -0.0000892000000000, 0.0019745500000000 ] - [ 0.0001088300000000, 0.0002673000000000, 0.0006831100000000 ] - [ -0.0002161200000000, -0.0000708400000000, 0.0000977000000000 ] - [ 0.0000017800000000, -0.0000368900000000, 0.0002887900000000 ] - [ 0.0004700400000000, -0.0001249700000000, 0.0003892100000000 ] - [ -0.0000353800000000, 0.0000378700000000, 0.0003496300000000 ] - [ -0.0005378800000000, 0.0000293800000000, 0.0000940500000000 ] - [ 0.0000187500000000, 0.0000157100000000, 0.0002654800000000 ] - [ -0.0008881100000000, 0.0008176300000000, -0.0008501300000000 ] - [ -0.0002138300000000, -0.0001213100000000, 0.0003498300000000 ] - [ 0.0004084600000000, 0.0007773500000000, 0.0002968200000000 ] - [ 0.0002009100000000, -0.0001509700000000, 0.0003554000000000 ] - [ -0.0001699000000000, 0.0006071200000000, -0.0003112800000000 ] - [ 0.0000322700000000, 0.0001223800000000, 0.0004646400000000 ] - [ 0.0000110700000000, -0.0000793400000000, 0.0001171300000000 ] - [ -0.0001084700000000, -0.0000428700000000, -0.0000260400000000 ] - [ -0.0012952600000000, 0.0037328100000000, 0.0001875700000000 ] - [ 0.0000159700000000, -0.0000547000000000, -0.0001437200000000 ] - [ -0.0003771200000000, 0.0025514500000000, 0.0007534300000000 ] - [ 0.0000171100000000, -0.0000252100000000, 0.0000582000000000 ] - [ -0.0009279200000000, -0.0003649600000000, 0.0005312200000000 ] - [ 0.0000062400000000, 0.0000112400000000, -0.0008083400000000 ] - [ 0.0005098900000000, -0.0028470300000000, 0.0003870400000000 ] - [ -0.0001319700000000, 0.0002515000000000, -0.0008888800000000 ] - [ 0.0002967600000000, -0.0009394100000000, -0.0012313700000000 ] - [ -0.0000878000000000, 0.0002215000000000, -0.0011299500000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2179934900000000, 0.1125546500000000, 0.0265089800000000 ] - [ 0.0000624400000000, 0.0001856200000000, 0.0000511400000000 ] - [ -0.0037507900000000, 0.0020249700000000, 0.0007231700000000 ] - [ -0.0001923000000000, -0.0000374700000000, 0.0000494000000000 ] - [ -0.0007378200000000, -0.0013042900000000, 0.0002642900000000 ] - [ 0.0001223100000000, -0.0001466400000000, 0.0000576800000000 ] - [ -0.0004743700000000, -0.0002506700000000, -0.0012541300000000 ] - [ -0.0001040900000000, -0.0000949400000000, -0.0002011100000000 ] - [ 0.0008916900000000, 0.0006364600000000, -0.0046191000000000 ] - [ 0.0001314300000000, -0.0000380800000000, -0.0001888700000000 ] - [ -0.0007371100000000, 0.0002430500000000, -0.0015014700000000 ] - [ -0.0000308100000000, 0.0001412000000000, -0.0002172900000000 ] - [ -0.0068969200000000, -0.0011310900000000, 0.0020360700000000 ] - [ -0.0000845000000000, 0.0001043400000000, -0.0001403800000000 ] - [ 0.0032116400000000, -0.0041552900000000, 0.0009771000000000 ] - [ -0.0000434000000000, -0.0001257300000000, -0.0001397900000000 ] - [ 0.0001079600000000, 0.0010759700000000, 0.0000973500000000 ] - [ 0.0001334900000000, 0.0000237500000000, -0.0001434100000000 ] - [ -0.0045182100000000, 0.0179120500000000, -0.0005092900000000 ] - [ 0.0000220400000000, 0.0002201900000000, -0.0000373100000000 ] - [ -0.0012011200000000, -0.0027649600000000, -0.0003339700000000 ] - [ -0.0001982100000000, -0.0000914400000000, -0.0000286700000000 ] - [ 0.0001254300000000, 0.0011931400000000, -0.0000109300000000 ] - [ 0.0001820300000000, -0.0001290800000000, -0.0000433300000000 ] - [ -0.0003715200000000, -0.0000445200000000, -0.0000195000000000 ] - [ -0.0000322400000000, 0.0001303400000000, 0.0000211700000000 ] - [ 0.0009559900000000, -0.0005556600000000, -0.0000851400000000 ] - [ -0.0000924700000000, -0.0000785100000000, 0.0000443000000000 ] - [ -0.0000292300000000, 0.0002201500000000, 0.0000170400000000 ] - [ 0.0001030000000000, -0.0000762200000000, 0.0000355900000000 ] - [ -0.0000848800000000, -0.0001117100000000, -0.0003529500000000 ] - [ -0.0001967000000000, -0.0000691500000000, 0.0000249100000000 ] - [ 0.0002895600000000, -0.0000344300000000, -0.0006068800000000 ] - [ 0.0001297900000000, -0.0000400200000000, -0.0002183500000000 ] - [ -0.0001479800000000, 0.0001429500000000, -0.0004605300000000 ] - [ 0.0000485400000000, 0.0001128400000000, -0.0000313100000000 ] - [ 0.0000159200000000, -0.0000626400000000, -0.0001524900000000 ] - [ 0.0000727500000000, 0.0001011200000000, -0.0001481600000000 ] - [ -0.0005518700000000, 0.0006015000000000, -0.0001433600000000 ] - [ -0.0000753100000000, -0.0000695400000000, -0.0001468300000000 ] - [ 0.0009175600000000, 0.0009108600000000, 0.0005046900000000 ] - [ 0.0000978600000000, -0.0000303500000000, -0.0001598800000000 ] - [ 0.0002765400000000, -0.0002615300000000, -0.0002618400000000 ] - [ -0.0000242500000000, 0.0002719500000000, -0.0000211500000000 ] - [ -0.0000664400000000, 0.0001154800000000, -0.0007313100000000 ] - [ -0.0001716100000000, -0.0000510300000000, -0.0000125300000000 ] - [ -0.0013153800000000, -0.0003137200000000, -0.0000783100000000 ] - [ 0.0001658200000000, -0.0001348000000000, -0.0000428000000000 ] - [ -0.0004153400000000, -0.0000461700000000, -0.0000358800000000 ] - [ 0.0000492800000000, 0.0001880400000000, 0.0000696100000000 ] - [ -0.0004434600000000, 0.0001020300000000, 0.0001342000000000 ] - [ -0.0001566300000000, -0.0000553500000000, 0.0000353100000000 ] - [ 0.0007738100000000, -0.0004550100000000, -0.0001605200000000 ] - [ 0.0001587700000000, -0.0001290400000000, 0.0000306700000000 ] - [ 0.0438018600000000, 0.0078549800000000, -0.0172690500000000 ] - [ -0.0001124600000000, -0.0001079900000000, -0.0002152000000000 ] - [ -0.0011649400000000, -0.0009264700000000, -0.0031800400000000 ] - [ 0.0001273500000000, -0.0000342100000000, -0.0001908900000000 ] - [ 0.0004500600000000, -0.0004420300000000, -0.0004504300000000 ] - [ -0.0000225100000000, 0.0001627400000000, -0.0001646400000000 ] - [ 0.0007386000000000, 0.0001544100000000, 0.0003151000000000 ] - [ 0.0000266900000000, 0.0001141300000000, -0.0002502800000000 ] - [ -0.0005865000000000, 0.0003421700000000, -0.0004265800000000 ] - [ -0.0000977600000000, -0.0000845200000000, -0.0000759200000000 ] - [ -0.0000752300000000, -0.0003449100000000, -0.0001244200000000 ] - [ 0.0000529200000000, -0.0001083500000000, -0.0001719700000000 ] - [ -0.0002894800000000, 0.0006175700000000, 0.0000311900000000 ] - [ -0.0000778500000000, 0.0003414000000000, -0.0000401200000000 ] - [ -0.0005700600000000, -0.0003836000000000, -0.0003749400000000 ] - [ -0.0002329600000000, -0.0000904200000000, -0.0000206900000000 ] - [ 0.0007759300000000, -0.0001734000000000, 0.0001305100000000 ] - [ 0.0002965800000000, -0.0001553000000000, -0.0000783000000000 ] - [ -0.3082287600000000, -0.1484136300000000, -0.0047606200000000 ] - [ -0.0002858900000000, -0.0001515300000000, 0.0002130700000000 ] - [ 0.0094545600000000, 0.0047753300000000, 0.0010077900000000 ] - [ 0.0002876900000000, -0.0001735000000000, 0.0001880400000000 ] - [ -0.0011390200000000, 0.0013335800000000, 0.0001496000000000 ] - [ 0.0000157600000000, 0.0003204900000000, 0.0001622500000000 ] - [ 0.0141956700000000, -0.0232614300000000, 0.0021926100000000 ] - [ -0.0000140200000000, -0.0000620300000000, 0.0000816700000000 ] - [ -0.0016146400000000, 0.0035202800000000, -0.0004144500000000 ] - [ 0.0000452000000000, 0.0000214800000000, 0.0000835100000000 ] - [ -0.0001363900000000, -0.0023628600000000, -0.0001429000000000 ] - [ -0.0000451400000000, 0.0000375600000000, 0.0000927300000000 ] - [ 0.0078399900000000, 0.0019919100000000, 0.0008181700000000 ] - [ -0.0002616200000000, -0.0001407800000000, 0.0000063200000000 ] - [ 0.0367932500000000, 0.0225365900000000, -0.0016312100000000 ] - [ 0.0002707200000000, -0.0001687800000000, -0.0000170100000000 ] - [ 0.0033602600000000, -0.0030646600000000, 0.0015958200000000 ] - [ 0.0000044400000000, 0.0003050100000000, 0.0000136700000000 ] - [ 0.0000500900000000, 0.0003184500000000, 0.0009940300000000 ] - [ -0.0001948900000000, -0.0001067200000000, 0.0002022700000000 ] - [ -0.0006808600000000, -0.0004138600000000, 0.0029130400000000 ] - [ 0.0001723800000000, -0.0001866500000000, 0.0001442600000000 ] - [ 0.0012090000000000, 0.0000509700000000, 0.0010049100000000 ] - [ 0.0000885900000000, 0.0002566700000000, 0.0002042800000000 ] - [ -0.0003019400000000, 0.0009084100000000, -0.0001839000000000 ] - [ -0.0000869000000000, -0.0001494800000000, -0.0001611200000000 ] - [ -0.0004859200000000, -0.0016755100000000, 0.0024482400000000 ] - [ 0.0000056400000000, -0.0000307500000000, 0.0001593100000000 ] - [ 0.0016585400000000, -0.0000911900000000, -0.0041885500000000 ] - [ 0.0000017000000000, 0.0000990000000000, 0.0000829200000000 ] - [ -0.0005165700000000, -0.0006342000000000, -0.0006469500000000 ] - [ -0.0003496900000000, -0.0002120300000000, 0.0000967300000000 ] - [ 0.0010877000000000, -0.0003751500000000, -0.0001968200000000 ] - [ 0.0002686700000000, -0.0001750400000000, 0.0003066900000000 ] - [ -0.0008625000000000, -0.0000033700000000, -0.0002609800000000 ] - [ -0.0000268500000000, 0.0003643300000000, 0.0001826300000000 ] - [ 0.0000683800000000, -0.0002267600000000, 0.0002686400000000 ] - [ -0.0001781800000000, -0.0002282500000000, -0.0000154600000000 ] - [ 0.0005347600000000, -0.0004247000000000, 0.0009758700000000 ] - [ 0.0002630500000000, -0.0001448100000000, 0.0001552800000000 ] - [ -0.0007948200000000, 0.0004443800000000, 0.0007410100000000 ] - [ -0.0001027500000000, 0.0003192300000000, 0.0000558200000000 ] - [ -0.0004844500000000, -0.0004631800000000, -0.0005192300000000 ] - [ 0.0000460100000000, -0.0001871200000000, 0.0003235600000000 ] - [ 0.0011111600000000, -0.0000062300000000, -0.0003724800000000 ] - [ 0.0002119800000000, -0.0000354400000000, 0.0000947700000000 ] - [ -0.0002802200000000, 0.0003750600000000, -0.0003724700000000 ] - [ -0.0000404600000000, 0.0002107900000000, 0.0003124000000000 ] - [ -0.0081938400000000, -0.0023703200000000, -0.0056305200000000 ] - [ -0.0003882500000000, -0.0002644600000000, -0.0000080800000000 ] - [ 0.0004239400000000, 0.0005486400000000, 0.0026872800000000 ] - [ 0.0001953000000000, -0.0001316200000000, 0.0000653500000000 ] - [ 0.0001815800000000, 0.0005904600000000, 0.0004395200000000 ] - [ -0.0000130700000000, 0.0005280400000000, -0.0001608700000000 ] - [ -0.0005909600000000, 0.0001175600000000, -0.0003376500000000 ] - [ -0.0001915900000000, -0.0000161700000000, 0.0007183300000000 ] - [ 0.0019584600000000, 0.0028570600000000, -0.0015198700000000 ] - [ -0.0000122800000000, -0.0000052500000000, 0.0003457400000000 ] - [ 0.0098985300000000, 0.0052247000000000, -0.0015544100000000 ] - [ -0.0000357300000000, -0.0000563900000000, 0.0005661700000000 ] - [ -0.0142525700000000, 0.0046074400000000, 0.0062363100000000 ] - [ -0.0000277900000000, -0.0000008300000000, -0.0003584400000000 ] - [ 0.0001206500000000, 0.0010178500000000, 0.0015949000000000 ] - [ 0.0000755000000000, 0.0000311000000000, -0.0003237300000000 ] - [ 0.0015590500000000, -0.0001529000000000, -0.0031291500000000 ] - [ 0.0004258900000000, -0.0002045700000000, 0.0000941200000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2050440700000000, -0.1013278600000000, -0.0229980600000000 ] - [ 0.0000260900000000, 0.0001679400000000, 0.0000393100000000 ] - [ 0.0033923400000000, -0.0021203400000000, -0.0006302300000000 ] - [ -0.0001713700000000, -0.0000538100000000, 0.0000416000000000 ] - [ 0.0009960900000000, 0.0010480600000000, -0.0001652300000000 ] - [ 0.0001365400000000, -0.0001059400000000, 0.0000315700000000 ] - [ 0.0002655700000000, 0.0000421200000000, 0.0007992200000000 ] - [ -0.0001054000000000, -0.0001159300000000, -0.0002746200000000 ] - [ -0.0006239700000000, -0.0007269800000000, 0.0041858800000000 ] - [ 0.0001530200000000, -0.0000356200000000, -0.0002894500000000 ] - [ 0.0006595100000000, 0.0000419100000000, 0.0010384800000000 ] - [ -0.0000492000000000, 0.0001445900000000, -0.0002605000000000 ] - [ 0.0067979800000000, 0.0013310100000000, -0.0023305900000000 ] - [ -0.0000352800000000, 0.0001073600000000, -0.0001543900000000 ] - [ -0.0033437300000000, 0.0039540300000000, -0.0012682900000000 ] - [ -0.0000746200000000, -0.0000931800000000, -0.0001516000000000 ] - [ 0.0001213500000000, -0.0010757600000000, -0.0003896200000000 ] - [ 0.0001132800000000, -0.0000212600000000, -0.0001497000000000 ] - [ 0.0044134300000000, -0.0175402100000000, 0.0004271500000000 ] - [ 0.0000171200000000, 0.0002298400000000, -0.0000453500000000 ] - [ 0.0007961200000000, 0.0025933700000000, 0.0002581000000000 ] - [ -0.0002111300000000, -0.0000978600000000, -0.0000534800000000 ] - [ 0.0002588800000000, -0.0014354000000000, -0.0000671200000000 ] - [ 0.0001884300000000, -0.0001303200000000, -0.0000389000000000 ] - [ 0.0004679700000000, 0.0004047500000000, 0.0001195800000000 ] - [ 0.0001220900000000, 0.0002253700000000, 0.0000778400000000 ] - [ -0.0013260300000000, 0.0004575500000000, 0.0001766900000000 ] - [ -0.0002700600000000, -0.0000137000000000, 0.0000529900000000 ] - [ 0.0002900700000000, -0.0004787200000000, 0.0000812300000000 ] - [ 0.0001573100000000, -0.0001777900000000, 0.0000619200000000 ] - [ -0.0001330600000000, -0.0000926300000000, -0.0001305800000000 ] - [ -0.0000209800000000, -0.0001365800000000, -0.0005133700000000 ] - [ -0.0000084100000000, -0.0000497700000000, 0.0001259500000000 ] - [ 0.0001539900000000, -0.0000427100000000, -0.0002720400000000 ] - [ 0.0000744400000000, 0.0001490100000000, -0.0000307000000000 ] - [ -0.0001225600000000, 0.0001781200000000, -0.0004657700000000 ] - [ -0.0001431700000000, 0.0002689000000000, -0.0001381000000000 ] - [ -0.0002000200000000, 0.0001043500000000, -0.0001441700000000 ] - [ 0.0004342600000000, -0.0008075500000000, -0.0001452500000000 ] - [ -0.0000374900000000, -0.0001474700000000, -0.0001434500000000 ] - [ -0.0006663400000000, -0.0009076100000000, -0.0008050900000000 ] - [ 0.0001440500000000, 0.0000383000000000, -0.0001318700000000 ] - [ -0.0002332700000000, 0.0007260300000000, 0.0001850500000000 ] - [ 0.0000699500000000, 0.0001884600000000, -0.0000582300000000 ] - [ -0.0003677300000000, -0.0003082800000000, 0.0006342700000000 ] - [ -0.0002505000000000, -0.0001410100000000, -0.0000688300000000 ] - [ 0.0017007800000000, 0.0000455100000000, 0.0000015300000000 ] - [ 0.0002125400000000, -0.0001344500000000, -0.0000364100000000 ] - [ 0.0004920700000000, 0.0003844200000000, 0.0001318400000000 ] - [ 0.0000315800000000, 0.0001543200000000, 0.0000230500000000 ] - [ 0.0001084000000000, -0.0002015900000000, -0.0000402700000000 ] - [ -0.0001902400000000, -0.0000383900000000, 0.0000571300000000 ] - [ -0.0005228800000000, 0.0002499100000000, 0.0002551800000000 ] - [ 0.0000944400000000, -0.0001113500000000, 0.0000609500000000 ] - [ -0.0444063900000000, -0.0071305800000000, 0.0185552200000000 ] - [ -0.0001014300000000, -0.0001036300000000, -0.0002578900000000 ] - [ 0.0014585300000000, 0.0008521100000000, 0.0027555400000000 ] - [ 0.0001593300000000, -0.0000421600000000, -0.0002835200000000 ] - [ -0.0005269200000000, 0.0007280100000000, -0.0000028300000000 ] - [ -0.0000568900000000, 0.0001270700000000, -0.0003122900000000 ] - [ -0.0008353800000000, 0.0000505300000000, -0.0006043000000000 ] - [ -0.0001664000000000, 0.0000917600000000, -0.0000493400000000 ] - [ 0.0004758300000000, -0.0005620000000000, 0.0001310400000000 ] - [ -0.0000105800000000, -0.0001407400000000, -0.0002220700000000 ] - [ 0.0003195400000000, 0.0003572600000000, -0.0001734200000000 ] - [ 0.0001954800000000, 0.0001273700000000, -0.0001259000000000 ] - [ 0.0003300500000000, -0.0001583300000000, -0.0000996600000000 ] - [ 0.0001163100000000, 0.0001241600000000, -0.0000337700000000 ] - [ 0.0001492400000000, 0.0001875100000000, 0.0003064400000000 ] - [ -0.0001888000000000, -0.0001069000000000, -0.0000525100000000 ] - [ -0.0003895200000000, -0.0000907900000000, -0.0002011300000000 ] - [ 0.0000877700000000, -0.0001110800000000, 0.0000047800000000 ] - [ 0.2955793800000000, 0.1360363300000000, -0.0004709000000000 ] - [ -0.0002741400000000, -0.0001490200000000, 0.0002556400000000 ] - [ -0.0090180900000000, -0.0052210200000000, -0.0005776800000000 ] - [ 0.0002694400000000, -0.0001735300000000, 0.0002754500000000 ] - [ 0.0011528900000000, -0.0006583500000000, 0.0002849500000000 ] - [ 0.0000107700000000, 0.0003128900000000, 0.0003053500000000 ] - [ -0.0143320600000000, 0.0234931000000000, -0.0020802900000000 ] - [ -0.0000468100000000, -0.0000742500000000, 0.0001026700000000 ] - [ 0.0017625600000000, -0.0035156800000000, 0.0005875300000000 ] - [ 0.0000974400000000, 0.0000036600000000, 0.0001031500000000 ] - [ 0.0000455000000000, 0.0024751700000000, 0.0003197900000000 ] - [ -0.0000505500000000, 0.0000781000000000, 0.0000965000000000 ] - [ -0.0084411700000000, -0.0023065100000000, -0.0007923200000000 ] - [ -0.0003128400000000, -0.0001771600000000, 0.0000305500000000 ] - [ -0.0362045500000000, -0.0226898100000000, 0.0017446700000000 ] - [ 0.0002941600000000, -0.0001735700000000, 0.0000528600000000 ] - [ -0.0033538700000000, 0.0037526000000000, -0.0015851200000000 ] - [ 0.0000058800000000, 0.0003539700000000, 0.0000215000000000 ] - [ -0.0006025300000000, -0.0005593500000000, -0.0005092900000000 ] - [ -0.0003552500000000, -0.0001286900000000, 0.0002950700000000 ] - [ 0.0011926700000000, 0.0000612900000000, -0.0024356700000000 ] - [ 0.0003185600000000, -0.0001806500000000, 0.0003502000000000 ] - [ -0.0011409600000000, 0.0005439600000000, -0.0005194100000000 ] - [ -0.0000140100000000, 0.0003344800000000, 0.0002900300000000 ] - [ 0.0002674100000000, -0.0010023900000000, 0.0003354300000000 ] - [ 0.0000523300000000, 0.0000639000000000, 0.0003261300000000 ] - [ 0.0005778100000000, 0.0016655600000000, -0.0022597800000000 ] - [ 0.0000867000000000, 0.0000513000000000, 0.0000050400000000 ] - [ -0.0017513600000000, 0.0001607400000000, 0.0043835800000000 ] - [ -0.0000690600000000, -0.0000277300000000, 0.0000824100000000 ] - [ -0.0000141300000000, 0.0002968100000000, 0.0007699300000000 ] - [ -0.0001830900000000, -0.0001314600000000, 0.0000201200000000 ] - [ -0.0005181800000000, 0.0000726300000000, 0.0003128100000000 ] - [ 0.0003013000000000, -0.0001191000000000, -0.0001938900000000 ] - [ 0.0008325700000000, 0.0006531900000000, 0.0003867000000000 ] - [ -0.0000011100000000, 0.0002696600000000, -0.0000622900000000 ] - [ -0.0005835300000000, -0.0000572700000000, 0.0000904600000000 ] - [ -0.0003386100000000, -0.0000598500000000, 0.0003846800000000 ] - [ -0.0000228400000000, 0.0001175700000000, -0.0006275700000000 ] - [ 0.0002567800000000, -0.0001667900000000, 0.0002092900000000 ] - [ 0.0008130300000000, 0.0001218700000000, -0.0003803400000000 ] - [ 0.0001180100000000, 0.0002700500000000, 0.0003155900000000 ] - [ 0.0004115300000000, 0.0003420800000000, 0.0007579800000000 ] - [ -0.0000922700000000, 0.0000633400000000, -0.0000754300000000 ] - [ -0.0009832000000000, 0.0000245700000000, 0.0006193200000000 ] - [ -0.0000836900000000, 0.0000586800000000, 0.0001567900000000 ] - [ 0.0001908100000000, -0.0002700800000000, 0.0006186100000000 ] - [ -0.0000486300000000, -0.0001098000000000, -0.0000603800000000 ] - [ 0.0076117800000000, 0.0020836700000000, 0.0060830500000000 ] - [ -0.0001406900000000, -0.0000830500000000, 0.0001027100000000 ] - [ 0.0001679200000000, -0.0008441400000000, -0.0026436900000000 ] - [ 0.0003683600000000, -0.0001538800000000, 0.0000299500000000 ] - [ -0.0002259300000000, 0.0000690900000000, -0.0003741800000000 ] - [ -0.0000242400000000, 0.0001039900000000, 0.0002544600000000 ] - [ 0.0005900500000000, -0.0001177800000000, 0.0009619100000000 ] - [ 0.0001980600000000, 0.0000199900000000, -0.0000950100000000 ] - [ -0.0019806100000000, -0.0028544700000000, 0.0021601200000000 ] - [ 0.0000063100000000, 0.0000084400000000, 0.0002518300000000 ] - [ -0.0098200900000000, -0.0053132900000000, 0.0027200100000000 ] - [ 0.0000492400000000, 0.0000524900000000, 0.0004235200000000 ] - [ 0.0143133800000000, -0.0046796400000000, -0.0068834400000000 ] - [ 0.0000249600000000, -0.0000007600000000, -0.0002642600000000 ] - [ -0.0001279000000000, -0.0010362300000000, -0.0022235500000000 ] - [ -0.0000827000000000, -0.0000285400000000, -0.0003109800000000 ] - [ -0.0016536400000000, 0.0000783400000000, 0.0024832600000000 ] - [ -0.0004231900000000, 0.0002056100000000, -0.0007457500000000 ]- atom: 73 displacement: [ -0.0049999999944369, 0.0086602540410562, 0.0000000000000000 ] forces: - [ -0.0058710700000000, 0.0244146500000000, 0.0057576800000000 ] - [ 0.0000502200000000, 0.0002004100000000, 0.0000240200000000 ] - [ -0.0003931500000000, 0.0005012700000000, 0.0003568200000000 ] - [ -0.0002112200000000, -0.0000444000000000, 0.0000317900000000 ] - [ 0.0010354700000000, -0.0039873200000000, 0.0016099400000000 ] - [ 0.0001476400000000, -0.0001477000000000, 0.0000234000000000 ] - [ -0.0000342100000000, -0.0004076900000000, -0.0008940900000000 ] - [ -0.0000931800000000, -0.0001090800000000, -0.0003124300000000 ] - [ 0.0001635900000000, 0.0003418700000000, -0.0006317300000000 ] - [ 0.0001509200000000, -0.0000256400000000, -0.0003848200000000 ] - [ 0.0001163200000000, 0.0002203300000000, -0.0001145000000000 ] - [ -0.0000563200000000, 0.0001322600000000, -0.0003282100000000 ] - [ 0.0070157100000000, 0.0037750600000000, -0.0030813600000000 ] - [ -0.0000320500000000, 0.0001089300000000, -0.0001723500000000 ] - [ -0.0013126600000000, -0.0003762700000000, -0.0003487900000000 ] - [ -0.0000801700000000, -0.0000888000000000, -0.0001764800000000 ] - [ 0.0008038000000000, 0.0001022400000000, -0.0000147800000000 ] - [ 0.0001155900000000, -0.0000247700000000, -0.0001717200000000 ] - [ 0.0169796400000000, -0.0125708400000000, 0.0014790300000000 ] - [ 0.0000018700000000, 0.0002653300000000, -0.0000710400000000 ] - [ -0.0005868100000000, -0.0010984100000000, -0.0001123800000000 ] - [ -0.0002329700000000, -0.0001339600000000, -0.0000794600000000 ] - [ 0.0027875200000000, -0.0019785600000000, -0.0003124300000000 ] - [ 0.0002262300000000, -0.0001340100000000, -0.0000680500000000 ] - [ 0.0002119200000000, 0.0001019000000000, 0.0000842500000000 ] - [ 0.0001255600000000, 0.0001595800000000, 0.0000798900000000 ] - [ -0.0007720000000000, 0.0002081800000000, -0.0000810500000000 ] - [ -0.0002737500000000, 0.0000943600000000, 0.0000305000000000 ] - [ 0.0002168000000000, -0.0003973100000000, 0.0000822900000000 ] - [ 0.0001170700000000, -0.0001721800000000, 0.0000300900000000 ] - [ -0.0001418100000000, -0.0001436100000000, -0.0001751900000000 ] - [ 0.0000286400000000, -0.0001702800000000, -0.0007684000000000 ] - [ -0.0000631600000000, -0.0000814100000000, 0.0003036200000000 ] - [ 0.0001532100000000, -0.0000275800000000, -0.0004832100000000 ] - [ 0.0002579700000000, 0.0002601100000000, 0.0005699500000000 ] - [ -0.0001621900000000, 0.0001916700000000, -0.0008356100000000 ] - [ -0.0008159500000000, 0.0002206700000000, -0.0000451700000000 ] - [ -0.0003255300000000, 0.0000732400000000, -0.0001521100000000 ] - [ 0.0008988500000000, -0.0019474100000000, -0.0000371200000000 ] - [ 0.0000856200000000, -0.0003118200000000, -0.0001576200000000 ] - [ 0.0001934300000000, 0.0000935800000000, -0.0010072800000000 ] - [ 0.0001806600000000, 0.0002131800000000, -0.0001555000000000 ] - [ 0.0001698300000000, -0.0001296200000000, 0.0000520800000000 ] - [ 0.0001287900000000, 0.0000432900000000, -0.0000623900000000 ] - [ 0.0002019100000000, 0.0013965300000000, 0.0006644000000000 ] - [ -0.0001373400000000, -0.0000130700000000, -0.0001427700000000 ] - [ 0.0006546600000000, -0.0001241800000000, 0.0000231800000000 ] - [ 0.0000807400000000, -0.0001070000000000, -0.0000384700000000 ] - [ -0.0003952700000000, -0.0001531800000000, 0.0000030600000000 ] - [ -0.0001020000000000, 0.0000744200000000, -0.0000224800000000 ] - [ 0.0009370900000000, -0.0007899700000000, -0.0002019900000000 ] - [ -0.0000719200000000, -0.0001149500000000, 0.0000115800000000 ] - [ -0.0005082100000000, 0.0024165900000000, 0.0013915700000000 ] - [ 0.0001104000000000, 0.0000688100000000, 0.0000046100000000 ] - [ -0.0223156200000000, 0.0338995100000000, 0.0568847800000000 ] - [ -0.0001040000000000, -0.0001126100000000, -0.0002990400000000 ] - [ -0.0002032700000000, 0.0001159000000000, 0.0000109000000000 ] - [ 0.0001703200000000, -0.0000495000000000, -0.0002947700000000 ] - [ -0.0006694100000000, -0.0007728400000000, -0.0019619900000000 ] - [ -0.0000589000000000, 0.0001419500000000, -0.0003421500000000 ] - [ 0.0013617800000000, 0.0000965400000000, -0.0005520900000000 ] - [ -0.0000230600000000, 0.0001293500000000, -0.0000967000000000 ] - [ -0.0003119700000000, 0.0007238800000000, -0.0000416600000000 ] - [ -0.0000919100000000, -0.0000163000000000, -0.0002360700000000 ] - [ -0.0002735400000000, -0.0007791400000000, -0.0002634500000000 ] - [ 0.0001017400000000, -0.0000472600000000, -0.0001753500000000 ] - [ 0.0002179100000000, -0.0000489400000000, -0.0000430300000000 ] - [ 0.0001129600000000, 0.0001301500000000, -0.0000378500000000 ] - [ 0.0000908000000000, -0.0000696600000000, 0.0005350300000000 ] - [ -0.0001869600000000, -0.0000922300000000, -0.0000868900000000 ] - [ -0.0004422000000000, -0.0001597800000000, 0.0001582400000000 ] - [ 0.0000914800000000, -0.0001270500000000, -0.0000612300000000 ] - [ 0.0299083300000000, -0.0853038200000000, -0.0679017300000000 ] - [ -0.0002775200000000, -0.0001898400000000, 0.0003263500000000 ] - [ 0.0020571500000000, -0.0004657900000000, -0.0002288900000000 ] - [ 0.0003051100000000, -0.0001546600000000, 0.0003182900000000 ] - [ -0.0006391800000000, 0.0109459600000000, -0.0008466200000000 ] - [ -0.0000162200000000, 0.0003383500000000, 0.0003660000000000 ] - [ -0.0261656100000000, 0.0288218300000000, -0.0031937700000000 ] - [ -0.0000449600000000, -0.0000981300000000, 0.0001829300000000 ] - [ 0.0014667000000000, 0.0013794200000000, 0.0002471600000000 ] - [ 0.0001188400000000, 0.0000274300000000, 0.0001869100000000 ] - [ -0.0018040500000000, 0.0025552200000000, 0.0001656900000000 ] - [ -0.0000815100000000, 0.0000879600000000, 0.0001701900000000 ] - [ -0.0048041000000000, 0.0016679700000000, 0.0003506100000000 ] - [ -0.0003024100000000, -0.0001413800000000, 0.0000950400000000 ] - [ 0.0056522000000000, -0.0044059000000000, -0.0001756200000000 ] - [ 0.0002553100000000, -0.0001885400000000, 0.0001553600000000 ] - [ -0.0001507300000000, -0.0006976400000000, 0.0002283100000000 ] - [ 0.0000333400000000, 0.0003167300000000, 0.0001123300000000 ] - [ -0.0005125500000000, 0.0002039000000000, 0.0006098300000000 ] - [ -0.0003878100000000, -0.0000204000000000, 0.0002401000000000 ] - [ 0.0002832300000000, -0.0010903400000000, 0.0004477100000000 ] - [ 0.0002370300000000, -0.0003156500000000, 0.0003937700000000 ] - [ -0.0003374300000000, 0.0004027300000000, 0.0002322500000000 ] - [ 0.0000603500000000, 0.0002947300000000, 0.0002930100000000 ] - [ 0.0008395900000000, 0.0003449300000000, -0.0005129100000000 ] - [ 0.0001418400000000, 0.0002405400000000, 0.0005321800000000 ] - [ -0.0012296000000000, 0.0017054200000000, -0.0048817600000000 ] - [ -0.0001131200000000, 0.0000883000000000, 0.0003080700000000 ] - [ -0.0009089300000000, -0.0012876800000000, 0.0020574800000000 ] - [ 0.0000311700000000, -0.0001983600000000, 0.0002785300000000 ] - [ 0.0006255100000000, 0.0005576000000000, 0.0012512500000000 ] - [ -0.0000738100000000, -0.0000663500000000, 0.0000884700000000 ] - [ -0.0010145100000000, 0.0008370600000000, 0.0006768700000000 ] - [ 0.0002406200000000, 0.0000133100000000, -0.0002810900000000 ] - [ 0.0000944900000000, 0.0006113000000000, 0.0008377200000000 ] - [ -0.0000885400000000, 0.0001714500000000, -0.0004189800000000 ] - [ -0.0000385900000000, 0.0004445500000000, 0.0000234400000000 ] - [ -0.0002882400000000, 0.0000014600000000, 0.0006138900000000 ] - [ -0.0005464700000000, 0.0007416300000000, -0.0010415000000000 ] - [ 0.0001847500000000, -0.0001389600000000, 0.0004098000000000 ] - [ 0.0007818500000000, -0.0009392500000000, -0.0017593600000000 ] - [ 0.0001263100000000, 0.0001798100000000, 0.0006289800000000 ] - [ -0.0010737200000000, -0.0001516500000000, 0.0001277400000000 ] - [ -0.0001641900000000, -0.0000545900000000, 0.0001059900000000 ] - [ -0.0000552400000000, -0.0005293500000000, -0.0004127400000000 ] - [ 0.0000331800000000, -0.0000508000000000, 0.0002995200000000 ] - [ 0.0005140300000000, 0.0005323300000000, -0.0000092400000000 ] - [ 0.0000168000000000, 0.0000610600000000, 0.0002005400000000 ] - [ 0.0024488600000000, -0.0029251200000000, 0.0149904300000000 ] - [ -0.0002844800000000, -0.0002660300000000, 0.0000359700000000 ] - [ 0.0016655300000000, -0.0009295700000000, -0.0008819900000000 ] - [ 0.0005768600000000, -0.0001994000000000, -0.0001043100000000 ] - [ -0.0002562000000000, 0.0016045800000000, 0.0006530600000000 ] - [ -0.0000784600000000, 0.0003513200000000, 0.0001445500000000 ] - [ 0.0002060900000000, 0.0000509800000000, 0.0001139500000000 ] - [ 0.0003443000000000, 0.0002020500000000, 0.0004223300000000 ] - [ -0.0019077800000000, -0.0051866700000000, 0.0038320200000000 ] - [ 0.0000275800000000, -0.0000147200000000, 0.0000512900000000 ] - [ -0.0031772800000000, 0.0093559300000000, -0.0007841500000000 ] - [ 0.0000144700000000, 0.0000494500000000, 0.0001570700000000 ] - [ 0.0017251000000000, 0.0026799300000000, 0.0010369600000000 ] - [ 0.0000217300000000, 0.0000145400000000, -0.0005107900000000 ] - [ 0.0002520300000000, -0.0023821700000000, -0.0039232900000000 ] - [ -0.0000829000000000, -0.0001448000000000, -0.0004084700000000 ] - [ -0.0030794000000000, -0.0023164400000000, -0.0009900600000000 ] - [ -0.0004456800000000, 0.0001428200000000, 0.0001978500000000 ]- atom: 73 displacement: [ 0.0049999999944369, -0.0086602540410562, 0.0000000000000000 ] forces: - [ 0.0036276500000000, -0.0251449200000000, -0.0058404300000000 ] - [ 0.0000390800000000, 0.0001534400000000, 0.0000673700000000 ] - [ 0.0000287800000000, -0.0005943200000000, -0.0002629000000000 ] - [ -0.0001530000000000, -0.0000463900000000, 0.0000601100000000 ] - [ -0.0007831100000000, 0.0037427900000000, -0.0015304900000000 ] - [ 0.0001114100000000, -0.0001055300000000, 0.0000667500000000 ] - [ -0.0001729300000000, 0.0001984200000000, 0.0004248400000000 ] - [ -0.0001161800000000, -0.0001012200000000, -0.0001598400000000 ] - [ 0.0001111600000000, -0.0004240500000000, 0.0001893300000000 ] - [ 0.0001332700000000, -0.0000484300000000, -0.0000897600000000 ] - [ -0.0001943400000000, 0.0000651200000000, -0.0003549100000000 ] - [ -0.0000230300000000, 0.0001534100000000, -0.0001463900000000 ] - [ -0.0070953400000000, -0.0034934200000000, 0.0027545900000000 ] - [ -0.0000874600000000, 0.0001028800000000, -0.0001216100000000 ] - [ 0.0011728900000000, 0.0001803700000000, 0.0000532800000000 ] - [ -0.0000377300000000, -0.0001300900000000, -0.0001140700000000 ] - [ -0.0005785600000000, -0.0001107000000000, -0.0002814500000000 ] - [ 0.0001313800000000, 0.0000271300000000, -0.0001205900000000 ] - [ -0.0169193400000000, 0.0132207700000000, -0.0015907300000000 ] - [ 0.0000371900000000, 0.0001852100000000, -0.0000107100000000 ] - [ 0.0001785900000000, 0.0009098400000000, 0.0000338100000000 ] - [ -0.0001764200000000, -0.0000557500000000, -0.0000019300000000 ] - [ -0.0024251900000000, 0.0017380700000000, 0.0002329500000000 ] - [ 0.0001450300000000, -0.0001253500000000, -0.0000133100000000 ] - [ -0.0001170900000000, 0.0002574600000000, 0.0000150200000000 ] - [ -0.0000344300000000, 0.0001967300000000, 0.0000202800000000 ] - [ 0.0004015400000000, -0.0003002300000000, 0.0001782400000000 ] - [ -0.0000895300000000, -0.0001863600000000, 0.0000681400000000 ] - [ 0.0000442300000000, 0.0001365500000000, 0.0000167300000000 ] - [ 0.0001432800000000, -0.0000826600000000, 0.0000680500000000 ] - [ -0.0000760300000000, -0.0000609000000000, -0.0003065300000000 ] - [ -0.0002453000000000, -0.0000350100000000, 0.0002794600000000 ] - [ 0.0003427600000000, -0.0000033900000000, -0.0007775300000000 ] - [ 0.0001302000000000, -0.0000549700000000, -0.0000060300000000 ] - [ -0.0003293200000000, 0.0000317700000000, -0.0010549900000000 ] - [ 0.0000892000000000, 0.0000987500000000, 0.0003426100000000 ] - [ 0.0006879400000000, -0.0000142000000000, -0.0002444300000000 ] - [ 0.0001977500000000, 0.0001322100000000, -0.0001394300000000 ] - [ -0.0010078200000000, 0.0017226100000000, -0.0002585400000000 ] - [ -0.0001978500000000, 0.0000943200000000, -0.0001317400000000 ] - [ 0.0000543800000000, -0.0000837100000000, 0.0007140200000000 ] - [ 0.0000620600000000, -0.0002045800000000, -0.0001350600000000 ] - [ -0.0001241800000000, 0.0005930700000000, -0.0001305200000000 ] - [ -0.0000827200000000, 0.0004169600000000, -0.0000160800000000 ] - [ -0.0006233600000000, -0.0015877300000000, -0.0007409700000000 ] - [ -0.0002849000000000, -0.0001789700000000, 0.0000627000000000 ] - [ -0.0002781500000000, -0.0001461900000000, -0.0000997700000000 ] - [ 0.0002981300000000, -0.0001620000000000, -0.0000401800000000 ] - [ 0.0004706700000000, 0.0004908000000000, 0.0000917000000000 ] - [ 0.0001824700000000, 0.0002673700000000, 0.0001156100000000 ] - [ -0.0012701800000000, 0.0006898200000000, 0.0002985000000000 ] - [ -0.0002741300000000, 0.0000208200000000, 0.0000814100000000 ] - [ 0.0007582200000000, -0.0026215100000000, -0.0012940500000000 ] - [ 0.0001428400000000, -0.0003089900000000, 0.0000878600000000 ] - [ 0.0208943300000000, -0.0329090700000000, -0.0573041700000000 ] - [ -0.0001097900000000, -0.0000982600000000, -0.0001699100000000 ] - [ 0.0004992100000000, -0.0001944900000000, -0.0004552900000000 ] - [ 0.0001161200000000, -0.0000273600000000, -0.0001757100000000 ] - [ 0.0006027900000000, 0.0010685400000000, 0.0015265200000000 ] - [ -0.0000196700000000, 0.0001477000000000, -0.0001308300000000 ] - [ -0.0014665800000000, 0.0001079500000000, 0.0002599800000000 ] - [ -0.0001160300000000, 0.0000766700000000, -0.0002014900000000 ] - [ 0.0001999500000000, -0.0009415300000000, -0.0002553100000000 ] - [ -0.0000168000000000, -0.0002082900000000, -0.0000610900000000 ] - [ 0.0005203300000000, 0.0007942000000000, -0.0000337700000000 ] - [ 0.0001467300000000, 0.0000657900000000, -0.0001223700000000 ] - [ -0.0001779300000000, 0.0005083400000000, -0.0000252600000000 ] - [ -0.0000737600000000, 0.0003347900000000, -0.0000352400000000 ] - [ -0.0005091100000000, -0.0001228100000000, -0.0006004500000000 ] - [ -0.0002348000000000, -0.0001050300000000, 0.0000143600000000 ] - [ 0.0008254200000000, -0.0001051400000000, -0.0002289700000000 ] - [ 0.0002936700000000, -0.0001388800000000, -0.0000112600000000 ] - [ -0.0258050800000000, 0.0843045100000000, 0.0681955000000000 ] - [ -0.0002813300000000, -0.0001110500000000, 0.0001376600000000 ] - [ -0.0015215100000000, 0.0001145500000000, 0.0006739900000000 ] - [ 0.0002521700000000, -0.0001914300000000, 0.0001407800000000 ] - [ 0.0006480100000000, -0.0104587000000000, 0.0013055100000000 ] - [ 0.0000421100000000, 0.0002943400000000, 0.0000971400000000 ] - [ 0.0255005800000000, -0.0282618300000000, 0.0032551300000000 ] - [ -0.0000153000000000, -0.0000384700000000, -0.0000013900000000 ] - [ -0.0013044500000000, -0.0013641800000000, -0.0000660100000000 ] - [ 0.0000243100000000, -0.0000019800000000, -0.0000030100000000 ] - [ 0.0017295000000000, -0.0024339800000000, 0.0000183100000000 ] - [ -0.0000150100000000, 0.0000274200000000, 0.0000160100000000 ] - [ 0.0041546600000000, -0.0020196900000000, -0.0003214600000000 ] - [ -0.0002717600000000, -0.0001771500000000, -0.0000612100000000 ] - [ -0.0053303300000000, 0.0039301800000000, 0.0002282400000000 ] - [ 0.0003101700000000, -0.0001533700000000, -0.0001226200000000 ] - [ 0.0001600700000000, 0.0013801300000000, -0.0002100900000000 ] - [ -0.0000232900000000, 0.0003422800000000, -0.0000798800000000 ] - [ -0.0000401100000000, -0.0004437700000000, -0.0001173700000000 ] - [ -0.0001616800000000, -0.0002151900000000, 0.0002530700000000 ] - [ 0.0002189100000000, 0.0007284100000000, 0.0000253900000000 ] - [ 0.0002543700000000, -0.0000506600000000, 0.0000962100000000 ] - [ 0.0004092100000000, 0.0001923400000000, 0.0002553600000000 ] - [ 0.0000139500000000, 0.0002957100000000, 0.0001978200000000 ] - [ -0.0008737100000000, -0.0004342100000000, 0.0006661400000000 ] - [ -0.0001755400000000, -0.0003253700000000, -0.0003689400000000 ] - [ 0.0013064800000000, -0.0016674100000000, 0.0050558100000000 ] - [ 0.0002047600000000, -0.0000676500000000, -0.0001467300000000 ] - [ 0.0008332500000000, 0.0013535500000000, -0.0018856600000000 ] - [ -0.0000990200000000, 0.0002684100000000, -0.0001160700000000 ] - [ -0.0011519800000000, -0.0008927300000000, -0.0011219200000000 ] - [ -0.0004574700000000, -0.0002764300000000, 0.0000269200000000 ] - [ 0.0015783400000000, -0.0011301000000000, -0.0005574400000000 ] - [ 0.0003306800000000, -0.0003062800000000, 0.0003882300000000 ] - [ -0.0001218300000000, 0.0000229200000000, -0.0007124900000000 ] - [ 0.0000596000000000, 0.0004627000000000, 0.0005341500000000 ] - [ -0.0004728100000000, -0.0007265400000000, 0.0003342300000000 ] - [ -0.0002275500000000, -0.0002886600000000, -0.0002458100000000 ] - [ 0.0010571300000000, -0.0010461200000000, 0.0013775500000000 ] - [ 0.0003342400000000, -0.0001717600000000, -0.0000475600000000 ] - [ -0.0007610500000000, 0.0015090400000000, 0.0021086900000000 ] - [ -0.0001115600000000, 0.0004081400000000, -0.0002619300000000 ] - [ 0.0010067200000000, 0.0000310400000000, 0.0001112700000000 ] - [ 0.0001171300000000, -0.0000687700000000, 0.0001386500000000 ] - [ 0.0001816100000000, 0.0005444400000000, 0.0006583600000000 ] - [ 0.0000956300000000, 0.0000737500000000, -0.0000502600000000 ] - [ -0.0006021200000000, -0.0004297000000000, 0.0002555300000000 ] - [ -0.0001065500000000, 0.0000392200000000, 0.0000491100000000 ] - [ -0.0029748800000000, 0.0026862400000000, -0.0146225400000000 ] - [ -0.0002436600000000, -0.0000821700000000, 0.0000551200000000 ] - [ -0.0010782700000000, 0.0006403400000000, 0.0009407100000000 ] - [ -0.0000106100000000, -0.0000859800000000, 0.0001949700000000 ] - [ 0.0002042800000000, -0.0009461300000000, -0.0006008000000000 ] - [ 0.0000399200000000, 0.0002826400000000, -0.0000553800000000 ] - [ -0.0002019300000000, -0.0000488700000000, 0.0005151000000000 ] - [ -0.0003379800000000, -0.0001981700000000, 0.0002049000000000 ] - [ 0.0018663900000000, 0.0051666300000000, -0.0031806700000000 ] - [ -0.0000335200000000, 0.0000184100000000, 0.0005509400000000 ] - [ 0.0029736100000000, -0.0094981400000000, 0.0019678300000000 ] - [ -0.0000003600000000, -0.0000529700000000, 0.0008374200000000 ] - [ -0.0016327200000000, -0.0027251800000000, -0.0016750600000000 ] - [ -0.0000242900000000, -0.0000158400000000, -0.0001052200000000 ] - [ -0.0002676300000000, 0.0023732300000000, 0.0032616400000000 ] - [ 0.0000747300000000, 0.0001462300000000, -0.0002190700000000 ] - [ 0.0030098700000000, 0.0022458300000000, 0.0003651800000000 ] - [ 0.0004459600000000, -0.0001443100000000, -0.0008361400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0438667800000000, 0.0298493300000000, 0.0516421300000000 ] - [ -0.0000726300000000, 0.0001561800000000, -0.0002283700000000 ] - [ -0.0007118900000000, 0.0005494400000000, 0.0005541400000000 ] - [ -0.0001133300000000, -0.0001233100000000, -0.0002118300000000 ] - [ 0.0000002100000000, -0.0004857500000000, 0.0000689700000000 ] - [ 0.0001831100000000, -0.0000464400000000, -0.0002240000000000 ] - [ -0.0002469600000000, -0.0000719600000000, 0.0007325100000000 ] - [ 0.0000129300000000, -0.0002874400000000, -0.0014638800000000 ] - [ -0.0011537200000000, -0.0011144300000000, 0.0004909900000000 ] - [ 0.0002645600000000, 0.0001453200000000, -0.0016949300000000 ] - [ 0.0000370600000000, 0.0001876400000000, 0.0010482800000000 ] - [ -0.0002437700000000, 0.0001410400000000, -0.0014905400000000 ] - [ -0.0010260300000000, -0.0006477400000000, 0.0003484800000000 ] - [ -0.0000004200000000, 0.0000969700000000, -0.0004121500000000 ] - [ 0.0006458700000000, -0.0012408400000000, 0.0007512100000000 ] - [ -0.0000907000000000, -0.0000611900000000, -0.0004271700000000 ] - [ 0.0001802700000000, 0.0003897600000000, 0.0005305500000000 ] - [ 0.0000936100000000, -0.0000326900000000, -0.0004150800000000 ] - [ 0.0000107700000000, 0.0013693300000000, 0.0124576000000000 ] - [ 0.0000343500000000, 0.0001866700000000, -0.0003566000000000 ] - [ -0.0003515900000000, -0.0003583500000000, 0.0003204700000000 ] - [ -0.0001825500000000, -0.0000448100000000, -0.0003640800000000 ] - [ 0.0000598200000000, 0.0000927600000000, 0.0008834700000000 ] - [ 0.0001413800000000, -0.0001280500000000, -0.0003528300000000 ] - [ 0.0003247700000000, 0.0003570600000000, -0.0000015900000000 ] - [ -0.0000198600000000, 0.0000457200000000, -0.0000896000000000 ] - [ -0.0002963600000000, -0.0007391400000000, -0.0007608000000000 ] - [ -0.0000778300000000, 0.0001288800000000, -0.0003217400000000 ] - [ 0.0001623000000000, 0.0000600500000000, -0.0000444100000000 ] - [ 0.0000727100000000, 0.0000021300000000, -0.0001494200000000 ] - [ -0.0001028500000000, -0.0000680500000000, -0.0005838900000000 ] - [ -0.0000924400000000, -0.0002684700000000, -0.0010465700000000 ] - [ 0.0000657900000000, -0.0000625900000000, -0.0004656100000000 ] - [ 0.0003087800000000, 0.0000645100000000, -0.0012537700000000 ] - [ -0.0003510700000000, 0.0003003900000000, -0.0013995800000000 ] - [ -0.0003322100000000, 0.0002262700000000, -0.0016878000000000 ] - [ 0.0001471100000000, 0.0000431700000000, -0.0000969400000000 ] - [ -0.0006453000000000, -0.0000013900000000, -0.0003864900000000 ] - [ -0.0011508700000000, 0.0026563400000000, 0.0004946400000000 ] - [ 0.0002170800000000, -0.0004516500000000, -0.0003790800000000 ] - [ 0.0001225600000000, -0.0017380300000000, -0.0022324800000000 ] - [ 0.0001082100000000, 0.0002240300000000, -0.0004173700000000 ] - [ -0.0001914300000000, 0.0003999500000000, -0.0000264200000000 ] - [ 0.0003526700000000, -0.0003348600000000, -0.0002130400000000 ] - [ -0.0016098400000000, -0.0008479300000000, -0.0018314800000000 ] - [ 0.0000549800000000, 0.0001437900000000, -0.0005436300000000 ] - [ 0.0025807600000000, 0.0003261900000000, 0.0010308200000000 ] - [ -0.0001979900000000, -0.0000522300000000, -0.0002698600000000 ] - [ -0.0014198600000000, -0.0008483500000000, 0.0002513500000000 ] - [ 0.0001247700000000, 0.0002677300000000, -0.0001631200000000 ] - [ 0.0012121500000000, -0.0008805500000000, 0.0001582700000000 ] - [ -0.0002464200000000, -0.0000192600000000, -0.0001667500000000 ] - [ 0.0000177700000000, 0.0049309900000000, -0.0005853700000000 ] - [ 0.0001537400000000, -0.0001300900000000, -0.0002081900000000 ] - [ -0.0391827500000000, 0.0452010100000000, 0.2297063400000000 ] - [ -0.0000064400000000, -0.0003614000000000, -0.0017776100000000 ] - [ -0.0006473000000000, -0.0010747400000000, 0.0035182700000000 ] - [ 0.0003063700000000, 0.0001981800000000, -0.0018122900000000 ] - [ 0.0006409200000000, -0.0004288300000000, 0.0040689300000000 ] - [ -0.0003222300000000, 0.0001597000000000, -0.0017951200000000 ] - [ 0.0060239800000000, 0.0001037500000000, -0.0000789000000000 ] - [ -0.0001371600000000, 0.0000671300000000, -0.0004956000000000 ] - [ -0.0010419500000000, 0.0013534600000000, -0.0004164600000000 ] - [ 0.0000435600000000, -0.0001849500000000, -0.0004504100000000 ] - [ -0.0006692600000000, -0.0014317500000000, -0.0002369700000000 ] - [ 0.0001483500000000, 0.0000920400000000, -0.0003062500000000 ] - [ 0.0001735700000000, -0.0002792400000000, 0.0003174200000000 ] - [ -0.0000525200000000, 0.0002726800000000, -0.0003200200000000 ] - [ -0.0003333800000000, -0.0001499300000000, 0.0002007600000000 ] - [ -0.0001582300000000, -0.0001137000000000, -0.0003212600000000 ] - [ 0.0009430600000000, 0.0001831100000000, 0.0001786900000000 ] - [ 0.0000752000000000, -0.0001645500000000, -0.0003323300000000 ] - [ -0.0032260400000000, -0.0760881800000000, -0.3564046600000000 ] - [ -0.0003008400000000, -0.0000533300000000, 0.0017334400000000 ] - [ 0.0013952700000000, 0.0003995400000000, -0.0038968000000000 ] - [ 0.0002155000000000, -0.0002921000000000, 0.0017697600000000 ] - [ -0.0004340800000000, -0.0003456900000000, -0.0039028600000000 ] - [ 0.0001020900000000, 0.0003155200000000, 0.0017716400000000 ] - [ 0.0024385000000000, -0.0017480000000000, -0.0065962900000000 ] - [ -0.0000475300000000, 0.0000231400000000, 0.0010841200000000 ] - [ -0.0002439900000000, 0.0008036700000000, -0.0016231900000000 ] - [ 0.0000202700000000, -0.0000330900000000, 0.0010898700000000 ] - [ -0.0001857900000000, -0.0001803400000000, -0.0018082000000000 ] - [ 0.0000421400000000, 0.0000157000000000, 0.0010934200000000 ] - [ 0.0010929100000000, 0.0000949500000000, -0.0012940600000000 ] - [ -0.0001942400000000, 0.0000268500000000, 0.0012158100000000 ] - [ 0.0096622100000000, 0.0041918800000000, -0.0088586800000000 ] - [ 0.0000319600000000, -0.0001682100000000, 0.0013776400000000 ] - [ 0.0005629700000000, -0.0001974700000000, -0.0013311900000000 ] - [ 0.0001021200000000, 0.0001464500000000, 0.0012269700000000 ] - [ -0.0001851300000000, -0.0002486700000000, -0.0001818900000000 ] - [ -0.0004752400000000, 0.0002626800000000, 0.0011570400000000 ] - [ 0.0016302100000000, 0.0012674600000000, 0.0006682900000000 ] - [ -0.0000686600000000, -0.0005156300000000, 0.0015817200000000 ] - [ -0.0011783600000000, 0.0000680800000000, -0.0002102800000000 ] - [ 0.0002655900000000, 0.0001954500000000, 0.0012836400000000 ] - [ -0.0004069800000000, -0.0007354900000000, 0.0001516800000000 ] - [ 0.0003418500000000, 0.0009450900000000, 0.0021980800000000 ] - [ 0.0033007900000000, -0.0058879000000000, 0.0060518800000000 ] - [ -0.0003062400000000, 0.0001045400000000, 0.0014104000000000 ] - [ -0.0065654600000000, -0.0004244200000000, 0.0059105000000000 ] - [ 0.0002508900000000, -0.0004232400000000, 0.0013188700000000 ] - [ -0.0002398200000000, 0.0001001800000000, 0.0003201400000000 ] - [ 0.0001655300000000, -0.0000926700000000, 0.0006785600000000 ] - [ 0.0009848800000000, -0.0014737600000000, 0.0003532400000000 ] - [ 0.0001225600000000, 0.0001201000000000, 0.0005652400000000 ] - [ 0.0000124700000000, 0.0026922800000000, 0.0009773200000000 ] - [ 0.0001513700000000, -0.0002862800000000, 0.0012908100000000 ] - [ 0.0004905400000000, 0.0007105700000000, -0.0002378800000000 ] - [ -0.0003035500000000, -0.0001783800000000, 0.0010899400000000 ] - [ -0.0004908100000000, 0.0002907700000000, -0.0002680100000000 ] - [ 0.0002547300000000, -0.0002068100000000, 0.0012159300000000 ] - [ 0.0002187600000000, -0.0029205300000000, 0.0006114300000000 ] - [ 0.0001560100000000, 0.0003268200000000, 0.0015180700000000 ] - [ -0.0040825000000000, -0.0004082100000000, -0.0004562400000000 ] - [ 0.0001880200000000, 0.0000443200000000, 0.0011721600000000 ] - [ 0.0009856900000000, -0.0008515200000000, -0.0005817900000000 ] - [ -0.0002018700000000, 0.0001064600000000, 0.0010592500000000 ] - [ -0.0002572100000000, 0.0009771900000000, -0.0004988600000000 ] - [ 0.0001244500000000, 0.0000057600000000, 0.0009966200000000 ] - [ -0.0024721600000000, 0.0134020600000000, 0.0560932400000000 ] - [ -0.0001331600000000, 0.0001221900000000, 0.0015148800000000 ] - [ 0.0046832500000000, -0.0007318100000000, -0.0040468600000000 ] - [ -0.0003033900000000, -0.0001003900000000, 0.0017316600000000 ] - [ -0.0012605600000000, 0.0045570500000000, -0.0041511400000000 ] - [ 0.0002439000000000, -0.0002749200000000, 0.0017088200000000 ] - [ -0.0005214200000000, -0.0002610500000000, -0.0011473900000000 ] - [ 0.0005297000000000, 0.0004007300000000, -0.0002662000000000 ] - [ -0.0003765800000000, 0.0007531200000000, 0.0035222300000000 ] - [ 0.0000006100000000, -0.0000698000000000, -0.0015966700000000 ] - [ 0.0003653000000000, -0.0038909000000000, 0.0156979100000000 ] - [ 0.0000179900000000, 0.0001447600000000, -0.0020015400000000 ] - [ -0.0025560300000000, 0.0016244000000000, 0.0052936700000000 ] - [ 0.0000547000000000, -0.0000173100000000, -0.0026905400000000 ] - [ -0.0000349700000000, -0.0023097700000000, 0.0022768800000000 ] - [ -0.0001707900000000, 0.0002247100000000, -0.0025269300000000 ] - [ -0.0107284800000000, -0.0102712100000000, -0.0015326000000000 ] - [ 0.0003134500000000, 0.0005246000000000, -0.0041166500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0447840100000000, -0.0303498800000000, -0.0532554800000000 ] - [ 0.0001613900000000, 0.0001973900000000, 0.0003196300000000 ] - [ 0.0003695100000000, -0.0006553000000000, -0.0004622600000000 ] - [ -0.0002500400000000, 0.0000323800000000, 0.0003035200000000 ] - [ 0.0002606300000000, 0.0002493600000000, 0.0000259700000000 ] - [ 0.0000758400000000, -0.0002058200000000, 0.0003139000000000 ] - [ 0.0000387100000000, -0.0001344200000000, -0.0011811000000000 ] - [ -0.0002223100000000, 0.0000768300000000, 0.0009896800000000 ] - [ 0.0014209300000000, 0.0010245700000000, -0.0009119400000000 ] - [ 0.0000201500000000, -0.0002190600000000, 0.0012191100000000 ] - [ -0.0001122100000000, 0.0000970000000000, -0.0015033300000000 ] - [ 0.0001640300000000, 0.0001451100000000, 0.0010145100000000 ] - [ 0.0009079500000000, 0.0008400100000000, -0.0006292600000000 ] - [ -0.0001188100000000, 0.0001149700000000, 0.0001180200000000 ] - [ -0.0007858300000000, 0.0010492400000000, -0.0010485800000000 ] - [ -0.0000272100000000, -0.0001573200000000, 0.0001364400000000 ] - [ 0.0000631800000000, -0.0003932800000000, -0.0008214800000000 ] - [ 0.0001531300000000, 0.0000349900000000, 0.0001226300000000 ] - [ -0.0000935100000000, -0.0008630400000000, -0.0126773800000000 ] - [ 0.0000049800000000, 0.0002637700000000, 0.0002746100000000 ] - [ -0.0000510600000000, 0.0001887100000000, -0.0003960400000000 ] - [ -0.0002267300000000, -0.0001444700000000, 0.0002825100000000 ] - [ 0.0003049700000000, -0.0003486400000000, -0.0009608000000000 ] - [ 0.0002296800000000, -0.0001310900000000, 0.0002712300000000 ] - [ -0.0002283500000000, 0.0000038200000000, 0.0001024100000000 ] - [ 0.0001102100000000, 0.0003109100000000, 0.0001888800000000 ] - [ -0.0000736200000000, 0.0006402600000000, 0.0008530600000000 ] - [ -0.0002853300000000, -0.0002219100000000, 0.0004207100000000 ] - [ 0.0000991000000000, -0.0003170200000000, 0.0001433400000000 ] - [ 0.0001885400000000, -0.0002564100000000, 0.0002473700000000 ] - [ -0.0001142400000000, -0.0001371400000000, 0.0000981300000000 ] - [ -0.0001259000000000, 0.0000636600000000, 0.0005634700000000 ] - [ 0.0002176700000000, -0.0000208200000000, -0.0000202000000000 ] - [ -0.0000250600000000, -0.0001474900000000, 0.0007674900000000 ] - [ 0.0002808500000000, -0.0000080400000000, 0.0009132000000000 ] - [ 0.0002590300000000, 0.0000649900000000, 0.0011951400000000 ] - [ -0.0002697900000000, 0.0001636200000000, -0.0001936700000000 ] - [ 0.0005199200000000, 0.0002078900000000, 0.0000957300000000 ] - [ 0.0010330900000000, -0.0028556800000000, -0.0007728100000000 ] - [ -0.0003314500000000, 0.0002376400000000, 0.0000892200000000 ] - [ 0.0001281300000000, 0.0017342000000000, 0.0019249600000000 ] - [ 0.0001341800000000, -0.0002171500000000, 0.0001267900000000 ] - [ 0.0002337100000000, 0.0000681400000000, -0.0000497500000000 ] - [ -0.0003073300000000, 0.0007970300000000, 0.0001344000000000 ] - [ 0.0011700600000000, 0.0006505700000000, 0.0017367100000000 ] - [ -0.0004791600000000, -0.0003372900000000, 0.0004643800000000 ] - [ -0.0021910200000000, -0.0005936000000000, -0.0010977300000000 ] - [ 0.0005787200000000, -0.0002171900000000, 0.0001910600000000 ] - [ 0.0015048900000000, 0.0011917800000000, -0.0001557500000000 ] - [ -0.0000425700000000, 0.0000755400000000, 0.0002567600000000 ] - [ -0.0015582100000000, 0.0007871600000000, -0.0000647300000000 ] - [ -0.0001011200000000, -0.0000736200000000, 0.0002600500000000 ] - [ 0.0002286200000000, -0.0051484700000000, 0.0006949000000000 ] - [ 0.0000996400000000, -0.0001114400000000, 0.0003007500000000 ] - [ 0.0423113600000000, -0.0515562000000000, -0.2505703900000000 ] - [ -0.0002073500000000, 0.0001502700000000, 0.0013066100000000 ] - [ 0.0009678400000000, 0.0010151100000000, -0.0039485800000000 ] - [ -0.0000196000000000, -0.0002744200000000, 0.0013396500000000 ] - [ -0.0007225900000000, 0.0007357700000000, -0.0045220100000000 ] - [ 0.0002432700000000, 0.0001302300000000, 0.0013202300000000 ] - [ -0.0061434800000000, 0.0000986800000000, -0.0002203200000000 ] - [ -0.0000026500000000, 0.0001388200000000, 0.0001964500000000 ] - [ 0.0009374000000000, -0.0015815300000000, 0.0001222800000000 ] - [ -0.0001514300000000, -0.0000404000000000, 0.0001529300000000 ] - [ 0.0009174300000000, 0.0014514500000000, -0.0000603100000000 ] - [ 0.0001004900000000, -0.0000725100000000, 0.0000092200000000 ] - [ -0.0001313800000000, 0.0007371000000000, -0.0003883200000000 ] - [ 0.0000905300000000, 0.0001941400000000, 0.0002466000000000 ] - [ -0.0000881300000000, -0.0000479700000000, -0.0002730100000000 ] - [ -0.0002637500000000, -0.0000841300000000, 0.0002486800000000 ] - [ -0.0005606300000000, -0.0004481900000000, -0.0002502500000000 ] - [ 0.0003103100000000, -0.0001016400000000, 0.0002595300000000 ] - [ 0.0008076100000000, 0.0836920300000000, 0.3790572100000000 ] - [ -0.0002598500000000, -0.0002463000000000, -0.0012660700000000 ] - [ -0.0008895300000000, -0.0007668300000000, 0.0043657300000000 ] - [ 0.0003416500000000, -0.0000558100000000, -0.0013073200000000 ] - [ 0.0004693800000000, 0.0009659000000000, 0.0043592800000000 ] - [ -0.0000744200000000, 0.0003182800000000, -0.0013054600000000 ] - [ -0.0024060800000000, 0.0015033500000000, 0.0068397700000000 ] - [ -0.0000140200000000, -0.0001599100000000, -0.0009012900000000 ] - [ 0.0003945100000000, -0.0008059400000000, 0.0018025200000000 ] - [ 0.0001236600000000, 0.0000581000000000, -0.0009047100000000 ] - [ 0.0000934300000000, 0.0002972400000000, 0.0019848400000000 ] - [ -0.0001383000000000, 0.0001015100000000, -0.0009059100000000 ] - [ -0.0016954600000000, -0.0004274500000000, 0.0013123200000000 ] - [ -0.0003794800000000, -0.0003437900000000, -0.0011793100000000 ] - [ -0.0094063000000000, -0.0046705700000000, 0.0089226200000000 ] - [ 0.0005324600000000, -0.0001736900000000, -0.0013429100000000 ] - [ -0.0005734800000000, 0.0008873900000000, 0.0013400200000000 ] - [ -0.0000911400000000, 0.0005119400000000, -0.0011923200000000 ] - [ -0.0003672600000000, 0.0000064700000000, 0.0006619300000000 ] - [ -0.0000754500000000, -0.0004984000000000, -0.0006595300000000 ] - [ -0.0011139900000000, -0.0016161600000000, -0.0001960800000000 ] - [ 0.0005618100000000, 0.0001485300000000, -0.0010883900000000 ] - [ 0.0012418900000000, 0.0005263400000000, 0.0006908800000000 ] - [ -0.0001911300000000, 0.0003968800000000, -0.0007890400000000 ] - [ 0.0003688100000000, 0.0006371300000000, 0.0000012300000000 ] - [ -0.0003769900000000, -0.0010333000000000, -0.0020374700000000 ] - [ -0.0031666800000000, 0.0058304200000000, -0.0058172300000000 ] - [ 0.0004016400000000, -0.0000861400000000, -0.0012513600000000 ] - [ 0.0064164200000000, 0.0004869900000000, -0.0056891300000000 ] - [ -0.0003196500000000, 0.0004967100000000, -0.0011558000000000 ] - [ -0.0002954100000000, -0.0004405000000000, -0.0002051300000000 ] - [ -0.0006983100000000, -0.0002490300000000, -0.0005599400000000 ] - [ -0.0004104700000000, 0.0011661400000000, -0.0002417300000000 ] - [ 0.0004462700000000, -0.0004150400000000, -0.0004483000000000 ] - [ -0.0000403000000000, -0.0020384400000000, -0.0008544600000000 ] - [ -0.0001796300000000, 0.0009215900000000, -0.0011736800000000 ] - [ -0.0010133100000000, -0.0009967400000000, 0.0006031900000000 ] - [ -0.0002136100000000, -0.0001098300000000, -0.0007246200000000 ] - [ 0.0010094900000000, -0.0006027700000000, 0.0006301100000000 ] - [ 0.0002659100000000, -0.0001053800000000, -0.0008541500000000 ] - [ -0.0002030800000000, 0.0034994700000000, -0.0002562200000000 ] - [ -0.0001399800000000, 0.0002638600000000, -0.0011495600000000 ] - [ 0.0040253700000000, 0.0002908200000000, 0.0007056100000000 ] - [ -0.0002341600000000, -0.0001688600000000, -0.0009254900000000 ] - [ -0.0008607000000000, 0.0008760800000000, 0.0008343100000000 ] - [ 0.0003312000000000, -0.0000825900000000, -0.0008094200000000 ] - [ 0.0001691900000000, -0.0008764900000000, 0.0007497100000000 ] - [ -0.0002142700000000, 0.0000967100000000, -0.0007465600000000 ] - [ 0.0020831900000000, -0.0137933600000000, -0.0564139000000000 ] - [ -0.0003943600000000, -0.0004676900000000, -0.0014203100000000 ] - [ -0.0041077900000000, 0.0004432300000000, 0.0041005400000000 ] - [ 0.0008645800000000, -0.0001847000000000, -0.0016356100000000 ] - [ 0.0012236700000000, -0.0039188800000000, 0.0042225300000000 ] - [ -0.0002805300000000, 0.0009046700000000, -0.0016149700000000 ] - [ 0.0005214100000000, 0.0002604600000000, 0.0017749700000000 ] - [ -0.0005242900000000, -0.0003956100000000, 0.0008840800000000 ] - [ 0.0003797400000000, -0.0007475600000000, -0.0029194700000000 ] - [ -0.0000065400000000, 0.0000732400000000, 0.0021937900000000 ] - [ -0.0005895100000000, 0.0033878800000000, -0.0144804600000000 ] - [ -0.0000034000000000, -0.0001479900000000, 0.0029926900000000 ] - [ 0.0026436100000000, -0.0016899900000000, -0.0059645700000000 ] - [ -0.0000574600000000, 0.0000159000000000, 0.0020715100000000 ] - [ 0.0000306100000000, 0.0022953600000000, -0.0028775500000000 ] - [ 0.0001648700000000, -0.0002239800000000, 0.0018952500000000 ] - [ 0.0106582700000000, 0.0102104100000000, 0.0008804700000000 ] - [ -0.0003085800000000, -0.0005218500000000, 0.0034609700000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0069604200000000, -0.0025821800000000, -0.0012380200000000 ] - [ 0.0000192400000000, 0.0001710900000000, 0.0000525700000000 ] - [ 0.0013202300000000, -0.0013406000000000, -0.0001335500000000 ] - [ -0.0001597400000000, -0.0000644200000000, 0.0000394100000000 ] - [ -0.0001554000000000, 0.0054414800000000, -0.0004731700000000 ] - [ 0.0001270400000000, -0.0001020500000000, 0.0000363800000000 ] - [ 0.0003127400000000, 0.0009436300000000, 0.0061158700000000 ] - [ -0.0000962600000000, -0.0001354300000000, -0.0003330300000000 ] - [ -0.0004739400000000, -0.0005146200000000, 0.0008528000000000 ] - [ 0.0001367200000000, -0.0000593400000000, -0.0001741500000000 ] - [ 0.0000939800000000, -0.0002649100000000, 0.0013397500000000 ] - [ -0.0000633200000000, 0.0001678900000000, -0.0003177900000000 ] - [ 0.2715345700000000, 0.0356179100000000, -0.0691923000000000 ] - [ -0.0000077600000000, 0.0001092300000000, -0.0001483700000000 ] - [ -0.0033796200000000, 0.0019966300000000, -0.0010342100000000 ] - [ -0.0000785600000000, -0.0000843600000000, -0.0001432200000000 ] - [ -0.0002307100000000, -0.0012572700000000, -0.0001526000000000 ] - [ 0.0001015100000000, -0.0000489800000000, -0.0001520600000000 ] - [ 0.0977092000000000, -0.1285353800000000, 0.0177967400000000 ] - [ 0.0000185400000000, 0.0002371600000000, -0.0000286300000000 ] - [ 0.0001381500000000, -0.0029631400000000, -0.0005603900000000 ] - [ -0.0002141000000000, -0.0001035500000000, -0.0000333700000000 ] - [ 0.0002613100000000, 0.0012755300000000, 0.0000620800000000 ] - [ 0.0002159400000000, -0.0001255900000000, -0.0000443500000000 ] - [ 0.0014065900000000, 0.0011549800000000, 0.0003833300000000 ] - [ 0.0000848500000000, 0.0002605900000000, -0.0000394300000000 ] - [ -0.0008625900000000, 0.0001954000000000, -0.0000056400000000 ] - [ -0.0003506900000000, 0.0000364600000000, 0.0002249400000000 ] - [ 0.0002256900000000, -0.0011505100000000, 0.0002005900000000 ] - [ 0.0001712000000000, -0.0003238300000000, 0.0000527400000000 ] - [ -0.0000600600000000, -0.0001776100000000, -0.0000633400000000 ] - [ 0.0000440100000000, -0.0001807000000000, -0.0007109700000000 ] - [ 0.0007185500000000, -0.0001616300000000, -0.0014201500000000 ] - [ 0.0001176000000000, 0.0000709100000000, -0.0005852700000000 ] - [ 0.0014628100000000, -0.0001674200000000, 0.0017394400000000 ] - [ -0.0001233600000000, 0.0002038800000000, -0.0006363300000000 ] - [ -0.0007159300000000, 0.0000514000000000, -0.0000492300000000 ] - [ -0.0000823600000000, 0.0000969600000000, -0.0001156900000000 ] - [ 0.0000008900000000, -0.0000005400000000, 0.0000649300000000 ] - [ -0.0000992300000000, -0.0000634000000000, -0.0001668300000000 ] - [ 0.0006042200000000, 0.0002991000000000, -0.0003025200000000 ] - [ 0.0002707200000000, 0.0001878700000000, -0.0001277100000000 ] - [ -0.0006572200000000, 0.0011336100000000, 0.0001528700000000 ] - [ -0.0000798300000000, 0.0003507200000000, -0.0000643100000000 ] - [ -0.0005445700000000, -0.0004188100000000, -0.0002995400000000 ] - [ -0.0002437800000000, -0.0000571700000000, -0.0000374200000000 ] - [ 0.0007973900000000, -0.0003024700000000, 0.0002799100000000 ] - [ 0.0003073900000000, -0.0001757900000000, -0.0001122800000000 ] - [ -0.0000310000000000, -0.0000946900000000, 0.0000474400000000 ] - [ -0.0000388200000000, 0.0000985400000000, 0.0000251700000000 ] - [ -0.0008569600000000, 0.0005735600000000, -0.0004140200000000 ] - [ -0.0000931000000000, -0.0000442600000000, 0.0000487000000000 ] - [ -0.0007427800000000, 0.0017723000000000, 0.0012177000000000 ] - [ 0.0001121500000000, -0.0000357900000000, 0.0000418000000000 ] - [ -0.0005236400000000, 0.0012242000000000, 0.0048443800000000 ] - [ -0.0001109000000000, -0.0000997400000000, -0.0002152200000000 ] - [ 0.0003757200000000, -0.0002488400000000, -0.0001326400000000 ] - [ 0.0001349400000000, -0.0000388800000000, -0.0002230600000000 ] - [ -0.0003806800000000, 0.0006769300000000, -0.0011597600000000 ] - [ -0.0000291600000000, 0.0001425300000000, -0.0002077000000000 ] - [ -0.0012803800000000, 0.0001791300000000, -0.0000443000000000 ] - [ -0.0001335000000000, 0.0001008500000000, -0.0001495600000000 ] - [ 0.0005652100000000, -0.0011806600000000, -0.0004402000000000 ] - [ 0.0000164100000000, -0.0002430900000000, -0.0001222500000000 ] - [ 0.0000180600000000, 0.0001425300000000, -0.0002771900000000 ] - [ 0.0001397700000000, 0.0001016700000000, -0.0000618400000000 ] - [ 0.0004076600000000, -0.0002858500000000, -0.0000969000000000 ] - [ 0.0000878000000000, 0.0001112400000000, -0.0000191300000000 ] - [ -0.0000709400000000, 0.0000502900000000, -0.0011967400000000 ] - [ -0.0001067100000000, 0.0000326400000000, 0.0000317800000000 ] - [ -0.0017791100000000, -0.0003603000000000, 0.0001856700000000 ] - [ 0.0000022800000000, -0.0001450000000000, -0.0000504200000000 ] - [ 0.0139225900000000, -0.0217350000000000, 0.0026603600000000 ] - [ -0.0002633700000000, -0.0001584600000000, 0.0002117600000000 ] - [ -0.0005793800000000, 0.0018055300000000, 0.0005058100000000 ] - [ 0.0002722600000000, -0.0001581900000000, 0.0002179500000000 ] - [ 0.0005034200000000, -0.0044567900000000, 0.0010880000000000 ] - [ 0.0000019000000000, 0.0002992300000000, 0.0002145500000000 ] - [ -0.4440633200000000, 0.1081983200000000, 0.0683757400000000 ] - [ -0.0000691500000000, -0.0000894800000000, 0.0000756800000000 ] - [ 0.0071758500000000, 0.0068543500000000, 0.0017850000000000 ] - [ 0.0000975700000000, -0.0000061700000000, 0.0001080600000000 ] - [ -0.0017761000000000, -0.0016401900000000, -0.0002966200000000 ] - [ -0.0000825700000000, 0.0001117300000000, 0.0000627700000000 ] - [ 0.0484564600000000, 0.0026049600000000, -0.0061520000000000 ] - [ -0.0003113600000000, -0.0001605900000000, 0.0000647200000000 ] - [ 0.0106293800000000, 0.0009277400000000, -0.0016754900000000 ] - [ 0.0003517800000000, -0.0001862900000000, -0.0000584700000000 ] - [ -0.0002175000000000, 0.0036723300000000, -0.0015811300000000 ] - [ 0.0000120500000000, 0.0003768200000000, 0.0000468600000000 ] - [ -0.0007254300000000, -0.0015807500000000, -0.0038131900000000 ] - [ -0.0002058500000000, -0.0002410900000000, 0.0004553600000000 ] - [ 0.0011054700000000, 0.0001243300000000, -0.0004555800000000 ] - [ 0.0004280300000000, -0.0002411000000000, 0.0001971100000000 ] - [ -0.0003688800000000, 0.0011513300000000, -0.0009658900000000 ] - [ -0.0000022400000000, 0.0004500300000000, 0.0004580100000000 ] - [ 0.0007797800000000, -0.0007278800000000, -0.0000380000000000 ] - [ 0.0000382000000000, -0.0001755600000000, -0.0000442700000000 ] - [ 0.0003441600000000, -0.0003314500000000, 0.0006793500000000 ] - [ 0.0000907400000000, -0.0000436000000000, 0.0000813200000000 ] - [ -0.0011630500000000, 0.0000875900000000, 0.0001984800000000 ] - [ -0.0001841200000000, -0.0000478100000000, 0.0001025200000000 ] - [ 0.0007482600000000, 0.0009376600000000, 0.0016002700000000 ] - [ -0.0002773400000000, -0.0000219200000000, -0.0000476100000000 ] - [ -0.0019128600000000, -0.0006726100000000, 0.0014863100000000 ] - [ -0.0001530600000000, -0.0001970600000000, 0.0010293100000000 ] - [ 0.0001605200000000, 0.0001731800000000, 0.0005507000000000 ] - [ -0.0004586300000000, 0.0005646700000000, -0.0014972800000000 ] - [ -0.0005444100000000, 0.0006802200000000, -0.0002054300000000 ] - [ -0.0003272400000000, -0.0000015100000000, 0.0005382100000000 ] - [ -0.0005651800000000, -0.0014910400000000, 0.0037956500000000 ] - [ 0.0001630900000000, -0.0002956600000000, 0.0004344000000000 ] - [ 0.0020987900000000, 0.0004510200000000, -0.0065317600000000 ] - [ 0.0001542100000000, 0.0002275200000000, 0.0004399900000000 ] - [ 0.0007723600000000, 0.0006964200000000, 0.0011232500000000 ] - [ 0.0000326400000000, 0.0000732400000000, 0.0000121900000000 ] - [ 0.0000363700000000, 0.0005932700000000, 0.0016823000000000 ] - [ -0.0001053200000000, 0.0000832300000000, -0.0001523000000000 ] - [ 0.0014845800000000, -0.0003145900000000, 0.0005784200000000 ] - [ 0.0001820400000000, -0.0000012600000000, -0.0001071100000000 ] - [ -0.0001823900000000, -0.0021734500000000, -0.0030992900000000 ] - [ -0.0002459600000000, -0.0002448200000000, 0.0000129500000000 ] - [ -0.0004440600000000, 0.0005269100000000, 0.0002940200000000 ] - [ 0.0002726000000000, -0.0000342300000000, 0.0000549200000000 ] - [ 0.0005355100000000, -0.0007478200000000, 0.0009399200000000 ] - [ -0.0000658300000000, 0.0002292900000000, 0.0000142800000000 ] - [ -0.0004526900000000, -0.0004859900000000, 0.0012258400000000 ] - [ -0.0006380100000000, 0.0001556100000000, -0.0004290300000000 ] - [ 0.0138677600000000, 0.0031398800000000, -0.0057139900000000 ] - [ 0.0000190700000000, 0.0000187200000000, 0.0002414600000000 ] - [ 0.0016394600000000, 0.0030576300000000, -0.0013592300000000 ] - [ -0.0000130100000000, -0.0000028700000000, 0.0005418000000000 ] - [ -0.0124166000000000, -0.0116402400000000, -0.0078630300000000 ] - [ -0.0000533800000000, -0.0000158300000000, -0.0001612300000000 ] - [ 0.0024290600000000, -0.0002523900000000, -0.0034698600000000 ] - [ 0.0005115800000000, -0.0005455500000000, -0.0002296000000000 ] - [ 0.0012493900000000, 0.0016624300000000, 0.0000205400000000 ] - [ 0.0000573800000000, 0.0001140200000000, -0.0003889100000000 ]- atom: 79 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0070777800000000, 0.0029959000000000, 0.0013383400000000 ] - [ 0.0000697900000000, 0.0001822900000000, 0.0000394100000000 ] - [ -0.0016800700000000, 0.0012520200000000, 0.0002244200000000 ] - [ -0.0002041800000000, -0.0000265300000000, 0.0000530900000000 ] - [ 0.0004328600000000, -0.0056797500000000, 0.0005585000000000 ] - [ 0.0001316800000000, -0.0001510700000000, 0.0000544700000000 ] - [ -0.0005183900000000, -0.0011523300000000, -0.0065644000000000 ] - [ -0.0001138100000000, -0.0000741100000000, -0.0001341900000000 ] - [ 0.0007564500000000, 0.0004401000000000, -0.0013169000000000 ] - [ 0.0001470100000000, -0.0000156300000000, -0.0002949200000000 ] - [ -0.0001724000000000, 0.0005496500000000, -0.0018112200000000 ] - [ -0.0000152200000000, 0.0001174700000000, -0.0001517700000000 ] - [ -0.2948393500000000, -0.0373788600000000, 0.0764655700000000 ] - [ -0.0001126300000000, 0.0001023100000000, -0.0001446400000000 ] - [ 0.0032290200000000, -0.0022090700000000, 0.0007396700000000 ] - [ -0.0000389700000000, -0.0001352600000000, -0.0001463300000000 ] - [ 0.0004774000000000, 0.0012499000000000, -0.0001442400000000 ] - [ 0.0001454700000000, 0.0000516700000000, -0.0001392900000000 ] - [ -0.0984730000000000, 0.1247529000000000, -0.0170768400000000 ] - [ 0.0000204500000000, 0.0002130900000000, -0.0000520300000000 ] - [ -0.0005348600000000, 0.0027610800000000, 0.0004709300000000 ] - [ -0.0001953000000000, -0.0000863600000000, -0.0000467600000000 ] - [ 0.0001167700000000, -0.0015648900000000, -0.0001449800000000 ] - [ 0.0001550900000000, -0.0001339500000000, -0.0000359500000000 ] - [ -0.0013084600000000, -0.0007948000000000, -0.0002847000000000 ] - [ 0.0000059100000000, 0.0000953000000000, 0.0001399800000000 ] - [ 0.0004956800000000, -0.0002864300000000, 0.0001053300000000 ] - [ -0.0000126000000000, -0.0001296500000000, -0.0001253400000000 ] - [ 0.0000347100000000, 0.0008947100000000, -0.0001025100000000 ] - [ 0.0000894400000000, 0.0000693000000000, 0.0000452800000000 ] - [ -0.0001583100000000, -0.0000283400000000, -0.0004213000000000 ] - [ -0.0002632700000000, -0.0000239700000000, 0.0002322800000000 ] - [ -0.0004391800000000, 0.0000783800000000, 0.0009505800000000 ] - [ 0.0001648900000000, -0.0001536200000000, 0.0000990300000000 ] - [ -0.0015301400000000, 0.0004568800000000, -0.0022272700000000 ] - [ 0.0000511200000000, 0.0000861600000000, 0.0001482500000000 ] - [ 0.0005914700000000, 0.0001541500000000, -0.0002425300000000 ] - [ -0.0000425900000000, 0.0001086900000000, -0.0001752900000000 ] - [ -0.0001104200000000, -0.0002231500000000, -0.0003536400000000 ] - [ -0.0000138800000000, -0.0001533900000000, -0.0001219000000000 ] - [ -0.0003613300000000, -0.0002872300000000, 0.0000123200000000 ] - [ -0.0000284200000000, -0.0001801800000000, -0.0001620800000000 ] - [ 0.0007005800000000, -0.0006697000000000, -0.0002307200000000 ] - [ 0.0001245800000000, 0.0001113800000000, -0.0000138700000000 ] - [ 0.0001238500000000, 0.0002283300000000, 0.0002252300000000 ] - [ -0.0001795600000000, -0.0001359200000000, -0.0000410100000000 ] - [ -0.0004193900000000, 0.0000334000000000, -0.0003599900000000 ] - [ 0.0000726700000000, -0.0000933800000000, 0.0000348600000000 ] - [ 0.0001136900000000, 0.0004365800000000, 0.0000476100000000 ] - [ 0.0001196000000000, 0.0002433400000000, 0.0000689300000000 ] - [ 0.0005230600000000, -0.0006794200000000, 0.0005199700000000 ] - [ -0.0002524100000000, -0.0000501800000000, 0.0000447700000000 ] - [ 0.0009955000000000, -0.0020026600000000, -0.0011186400000000 ] - [ 0.0001409900000000, -0.0002043100000000, 0.0000513000000000 ] - [ 0.0003082500000000, -0.0014385700000000, -0.0053809800000000 ] - [ -0.0001035000000000, -0.0001102700000000, -0.0002478000000000 ] - [ -0.0000934800000000, 0.0001711000000000, -0.0003341500000000 ] - [ 0.0001508000000000, -0.0000391700000000, -0.0002412300000000 ] - [ 0.0003042700000000, -0.0003922500000000, 0.0006872600000000 ] - [ -0.0000483000000000, 0.0001469400000000, -0.0002594900000000 ] - [ 0.0011431700000000, 0.0000259200000000, -0.0002544700000000 ] - [ -0.0000060900000000, 0.0001049500000000, -0.0001477900000000 ] - [ -0.0006782500000000, 0.0009650700000000, 0.0001470600000000 ] - [ -0.0001251300000000, 0.0000182400000000, -0.0001740400000000 ] - [ 0.0002309800000000, -0.0001240000000000, -0.0000191400000000 ] - [ 0.0001088300000000, -0.0000828200000000, -0.0002348900000000 ] - [ -0.0003672500000000, 0.0007475900000000, 0.0000250500000000 ] - [ -0.0000493900000000, 0.0003543200000000, -0.0000529700000000 ] - [ -0.0003520200000000, -0.0002462100000000, 0.0011427300000000 ] - [ -0.0003150900000000, -0.0002299200000000, -0.0001032400000000 ] - [ 0.0021629300000000, 0.0000953800000000, -0.0002562400000000 ] - [ 0.0003828600000000, -0.0001213500000000, -0.0000211500000000 ] - [ -0.0146053300000000, 0.0214461500000000, -0.0021824000000000 ] - [ -0.0002962400000000, -0.0001432700000000, 0.0002474800000000 ] - [ 0.0011470400000000, -0.0021401900000000, -0.0000461600000000 ] - [ 0.0002857900000000, -0.0001882400000000, 0.0002360000000000 ] - [ -0.0004870300000000, 0.0051005600000000, -0.0006238800000000 ] - [ 0.0000238400000000, 0.0003345100000000, 0.0002438400000000 ] - [ 0.4684010300000000, -0.1023574600000000, -0.0764694200000000 ] - [ 0.0000082600000000, -0.0000482400000000, 0.0001025100000000 ] - [ -0.0069353700000000, -0.0067109300000000, -0.0015974900000000 ] - [ 0.0000463800000000, 0.0000316200000000, 0.0000719500000000 ] - [ 0.0017113500000000, 0.0017628800000000, 0.0004799300000000 ] - [ -0.0000141800000000, 0.0000047200000000, 0.0001197200000000 ] - [ -0.0493030600000000, -0.0028614400000000, 0.0063515000000000 ] - [ -0.0002636700000000, -0.0001583600000000, -0.0000354300000000 ] - [ -0.0100770600000000, -0.0012879300000000, 0.0017143700000000 ] - [ 0.0002142000000000, -0.0001564400000000, 0.0000863900000000 ] - [ 0.0002258900000000, -0.0030013100000000, 0.0016103400000000 ] - [ -0.0000017500000000, 0.0002827300000000, -0.0000188800000000 ] - [ 0.0001711700000000, 0.0013391800000000, 0.0042966100000000 ] - [ -0.0003445000000000, 0.0000037600000000, 0.0000347900000000 ] - [ -0.0006091300000000, -0.0004921900000000, 0.0009388900000000 ] - [ 0.0000654600000000, -0.0001249000000000, 0.0002892100000000 ] - [ 0.0004425800000000, -0.0005574600000000, 0.0014555000000000 ] - [ 0.0000744800000000, 0.0001409400000000, 0.0000296100000000 ] - [ -0.0008149100000000, 0.0006370600000000, 0.0001917600000000 ] - [ -0.0000746300000000, 0.0000850800000000, 0.0001987800000000 ] - [ -0.0002568800000000, 0.0003586600000000, -0.0005315400000000 ] - [ 0.0000031500000000, 0.0000638100000000, 0.0000760500000000 ] - [ 0.0011007200000000, -0.0000176000000000, -0.0000434500000000 ] - [ 0.0001153800000000, 0.0001206900000000, 0.0000552900000000 ] - [ -0.0012823100000000, -0.0012833500000000, -0.0014899700000000 ] - [ -0.0002562700000000, -0.0003203400000000, 0.0001638600000000 ] - [ 0.0024792300000000, 0.0003808500000000, -0.0013650300000000 ] - [ 0.0007261100000000, -0.0000970400000000, -0.0009282200000000 ] - [ -0.0001848400000000, 0.0004673400000000, -0.0004320800000000 ] - [ 0.0004302300000000, 0.0000720800000000, 0.0016082700000000 ] - [ 0.0000250000000000, -0.0009694000000000, 0.0005715600000000 ] - [ -0.0001877200000000, -0.0002875000000000, -0.0001782200000000 ] - [ 0.0011068000000000, 0.0011908800000000, -0.0034833100000000 ] - [ 0.0003570400000000, -0.0000160800000000, -0.0000744000000000 ] - [ -0.0020899600000000, 0.0001426900000000, 0.0068507400000000 ] - [ -0.0001399400000000, 0.0003617600000000, -0.0000767400000000 ] - [ -0.0008223800000000, -0.0008179400000000, -0.0008762000000000 ] - [ -0.0000800900000000, -0.0001986700000000, 0.0002293800000000 ] - [ 0.0000871000000000, -0.0005793000000000, -0.0014504500000000 ] - [ 0.0002358200000000, -0.0000610500000000, 0.0003982100000000 ] - [ -0.0015746300000000, 0.0004142900000000, -0.0003295400000000 ] - [ -0.0002723500000000, 0.0001030500000000, 0.0003534400000000 ] - [ -0.0003443600000000, 0.0018320100000000, 0.0032225500000000 ] - [ -0.0002838100000000, -0.0001041600000000, 0.0000729400000000 ] - [ 0.0010184400000000, -0.0008169900000000, -0.0002098000000000 ] - [ 0.0002941800000000, -0.0002523900000000, 0.0000301100000000 ] - [ -0.0005778000000000, 0.0013906700000000, -0.0008571600000000 ] - [ 0.0000270500000000, 0.0004058700000000, 0.0000699100000000 ] - [ 0.0004554000000000, 0.0004867900000000, -0.0005932900000000 ] - [ 0.0006476100000000, -0.0001515200000000, 0.0010575400000000 ] - [ -0.0139986800000000, -0.0030133800000000, 0.0062109700000000 ] - [ -0.0000256600000000, -0.0000157800000000, 0.0003674500000000 ] - [ -0.0016504400000000, -0.0030915300000000, 0.0023845900000000 ] - [ 0.0000267900000000, -0.0000016300000000, 0.0004616700000000 ] - [ 0.0124108800000000, 0.0115742000000000, 0.0071779000000000 ] - [ 0.0000506100000000, 0.0000145200000000, -0.0004467600000000 ] - [ -0.0024646600000000, 0.0002178900000000, 0.0028075800000000 ] - [ -0.0005213200000000, 0.0005457900000000, -0.0003915700000000 ] - [ -0.0012602400000000, -0.0016784000000000, -0.0006567600000000 ] - [ -0.0000567500000000, -0.0001164200000000, -0.0002404400000000 ]- atom: 79 displacement: [ -0.0049999999944369, 0.0086602540410562, 0.0000000000000000 ] forces: - [ 0.0077871500000000, 0.0065783900000000, 0.0017054400000000 ] - [ 0.0000591000000000, 0.0001940200000000, 0.0000235400000000 ] - [ -0.0019278100000000, 0.0003805900000000, 0.0003419300000000 ] - [ -0.0002066500000000, -0.0000475100000000, 0.0000262400000000 ] - [ 0.0013345100000000, -0.0027691400000000, 0.0002333300000000 ] - [ 0.0001490400000000, -0.0001466500000000, 0.0000377100000000 ] - [ -0.0003311800000000, -0.0006403200000000, -0.0030024400000000 ] - [ -0.0001017700000000, -0.0001028500000000, -0.0002702500000000 ] - [ 0.0006124800000000, 0.0003056000000000, -0.0001610800000000 ] - [ 0.0001572800000000, -0.0000064200000000, -0.0004005400000000 ] - [ -0.0001578800000000, 0.0002870700000000, -0.0007866200000000 ] - [ -0.0000511300000000, 0.0001384000000000, -0.0003316400000000 ] - [ -0.1363194200000000, 0.0220722900000000, 0.0237641900000000 ] - [ -0.0000515200000000, 0.0001111200000000, -0.0001690100000000 ] - [ 0.0011209500000000, 0.0003709600000000, 0.0001647400000000 ] - [ -0.0000819000000000, -0.0000741500000000, -0.0001671800000000 ] - [ -0.0020426800000000, -0.0011883700000000, -0.0010085900000000 ] - [ 0.0001179000000000, -0.0000196600000000, -0.0001766800000000 ] - [ -0.1274383400000000, 0.2872889700000000, -0.0576047200000000 ] - [ 0.0000007900000000, 0.0002571700000000, -0.0000704200000000 ] - [ -0.0007337200000000, -0.0005336400000000, 0.0001119500000000 ] - [ -0.0002315300000000, -0.0001321200000000, -0.0000803700000000 ] - [ 0.0024543800000000, -0.0018744300000000, -0.0002181900000000 ] - [ 0.0002228900000000, -0.0001354400000000, -0.0000549100000000 ] - [ -0.0000375400000000, 0.0001461600000000, -0.0000238700000000 ] - [ 0.0001836100000000, 0.0002346900000000, 0.0001585900000000 ] - [ -0.0003164800000000, 0.0002354500000000, 0.0002948900000000 ] - [ -0.0001729700000000, -0.0000194000000000, -0.0000737900000000 ] - [ 0.0001276700000000, -0.0007073400000000, 0.0001493300000000 ] - [ 0.0000887800000000, -0.0001499900000000, 0.0000468300000000 ] - [ -0.0001805600000000, 0.0000130800000000, -0.0000792700000000 ] - [ 0.0001008200000000, -0.0001322700000000, -0.0010718900000000 ] - [ -0.0009462000000000, -0.0000688300000000, 0.0017306200000000 ] - [ 0.0001910800000000, 0.0000150200000000, -0.0005921400000000 ] - [ -0.0008915500000000, 0.0002832800000000, -0.0013622600000000 ] - [ -0.0000523000000000, 0.0001076700000000, -0.0002954700000000 ] - [ -0.0007580800000000, 0.0001268700000000, 0.0000712400000000 ] - [ -0.0002473700000000, 0.0000860500000000, -0.0001775100000000 ] - [ 0.0004521800000000, -0.0011431300000000, -0.0002367100000000 ] - [ 0.0001120800000000, -0.0003632500000000, -0.0001221000000000 ] - [ 0.0004830500000000, 0.0008798300000000, 0.0008856100000000 ] - [ 0.0001087700000000, 0.0000521400000000, -0.0001799400000000 ] - [ 0.0004245300000000, -0.0001786400000000, -0.0001263400000000 ] - [ 0.0001336300000000, 0.0000924600000000, -0.0000487400000000 ] - [ 0.0001547400000000, 0.0001066900000000, 0.0004509300000000 ] - [ -0.0001641900000000, -0.0000860700000000, -0.0001033700000000 ] - [ -0.0009052500000000, -0.0002836900000000, 0.0000424500000000 ] - [ 0.0000715900000000, -0.0001099100000000, -0.0000664600000000 ] - [ -0.0008352400000000, -0.0003156600000000, -0.0000895200000000 ] - [ -0.0001585100000000, 0.0000321700000000, -0.0000360700000000 ] - [ 0.0016508600000000, -0.0010907400000000, 0.0003349300000000 ] - [ -0.0000436300000000, -0.0001302500000000, -0.0000069200000000 ] - [ 0.0009942600000000, -0.0002033700000000, -0.0012892700000000 ] - [ 0.0001177400000000, -0.0000163700000000, 0.0000109100000000 ] - [ 0.0005653600000000, -0.0018267800000000, -0.0090986300000000 ] - [ -0.0001061400000000, -0.0001156900000000, -0.0002891400000000 ] - [ -0.0004239100000000, -0.0007704600000000, -0.0006685800000000 ] - [ 0.0001515200000000, -0.0000411600000000, -0.0002903400000000 ] - [ 0.0003910400000000, -0.0005441800000000, 0.0004079400000000 ] - [ -0.0000451700000000, 0.0001607800000000, -0.0002761900000000 ] - [ 0.0014151900000000, -0.0000081800000000, -0.0003698400000000 ] - [ 0.0000195200000000, 0.0001061300000000, -0.0001437700000000 ] - [ -0.0007994300000000, 0.0003761000000000, -0.0006501000000000 ] - [ -0.0001168800000000, -0.0000383700000000, -0.0001429800000000 ] - [ 0.0001023200000000, -0.0002039100000000, -0.0001105400000000 ] - [ 0.0000840700000000, -0.0000694800000000, -0.0002285000000000 ] - [ -0.0000445800000000, 0.0000208500000000, 0.0001635500000000 ] - [ 0.0001174400000000, 0.0001001200000000, -0.0000667000000000 ] - [ 0.0001257600000000, 0.0015121500000000, 0.0005308900000000 ] - [ -0.0002051900000000, -0.0000333700000000, -0.0000757600000000 ] - [ 0.0011273800000000, 0.0000493100000000, -0.0001188700000000 ] - [ 0.0001974500000000, -0.0000956600000000, -0.0000481200000000 ] - [ -0.0275766700000000, 0.0273709500000000, -0.0023470300000000 ] - [ -0.0002814400000000, -0.0001736100000000, 0.0003155800000000 ] - [ 0.0021360700000000, 0.0007924000000000, 0.0000893000000000 ] - [ 0.0003091100000000, -0.0001518100000000, 0.0003155200000000 ] - [ -0.0018733700000000, 0.0039391600000000, -0.0003048300000000 ] - [ -0.0000236600000000, 0.0003305800000000, 0.0002928300000000 ] - [ 0.3140892500000000, -0.3581749600000000, 0.0416765100000000 ] - [ -0.0000283600000000, -0.0001066000000000, 0.0001692300000000 ] - [ -0.0001877800000000, -0.0021432200000000, -0.0005172000000000 ] - [ 0.0001286300000000, 0.0000063600000000, 0.0001512400000000 ] - [ 0.0019683900000000, 0.0098462400000000, 0.0016476500000000 ] - [ -0.0000710900000000, 0.0000665700000000, 0.0002093300000000 ] - [ -0.0267483600000000, -0.0073046400000000, 0.0033711500000000 ] - [ -0.0002954900000000, -0.0001476000000000, 0.0000685200000000 ] - [ -0.0079100500000000, -0.0029289500000000, 0.0009950700000000 ] - [ 0.0002417000000000, -0.0001956600000000, 0.0001607200000000 ] - [ 0.0012981600000000, 0.0001737700000000, 0.0006285300000000 ] - [ 0.0000282400000000, 0.0003207800000000, 0.0001149200000000 ] - [ -0.0004001500000000, 0.0003146100000000, 0.0019557500000000 ] - [ -0.0004166200000000, -0.0001132000000000, 0.0002315800000000 ] - [ -0.0000737300000000, -0.0006403600000000, 0.0000257100000000 ] - [ 0.0001807400000000, -0.0002154200000000, 0.0004110200000000 ] - [ 0.0005594000000000, 0.0005835900000000, 0.0005277900000000 ] - [ 0.0001059000000000, 0.0002932600000000, 0.0002947500000000 ] - [ 0.0002411500000000, 0.0006017100000000, -0.0002136800000000 ] - [ 0.0000720900000000, 0.0001713300000000, 0.0004023300000000 ] - [ -0.0008169800000000, 0.0012808200000000, -0.0012533900000000 ] - [ -0.0001467800000000, 0.0001607300000000, 0.0002886100000000 ] - [ 0.0008662900000000, 0.0000849000000000, -0.0019103700000000 ] - [ 0.0000447700000000, -0.0000364300000000, 0.0002519200000000 ] - [ 0.0008397400000000, 0.0008963100000000, 0.0021586500000000 ] - [ -0.0000799100000000, -0.0001641700000000, 0.0000266400000000 ] - [ -0.0002015800000000, 0.0001102500000000, 0.0004691400000000 ] - [ 0.0006713800000000, 0.0000312200000000, -0.0014663700000000 ] - [ -0.0001620000000000, -0.0019609300000000, 0.0006061900000000 ] - [ 0.0002785200000000, -0.0000657300000000, 0.0010259600000000 ] - [ 0.0007097500000000, 0.0003101700000000, -0.0002183200000000 ] - [ -0.0003140200000000, 0.0000138600000000, 0.0008559800000000 ] - [ -0.0005703600000000, 0.0013331000000000, -0.0063347600000000 ] - [ 0.0001587500000000, -0.0001718700000000, 0.0004618300000000 ] - [ -0.0008202800000000, -0.0011978500000000, 0.0036172500000000 ] - [ 0.0000190900000000, 0.0002222700000000, 0.0002745500000000 ] - [ -0.0010104200000000, -0.0001300500000000, -0.0003275500000000 ] - [ -0.0001639800000000, 0.0000214100000000, 0.0001567800000000 ] - [ 0.0002939600000000, -0.0011612300000000, 0.0000134600000000 ] - [ 0.0001350700000000, -0.0001203400000000, 0.0002373300000000 ] - [ -0.0007092700000000, 0.0002627300000000, -0.0000449800000000 ] - [ -0.0000783600000000, 0.0000412300000000, 0.0002610400000000 ] - [ -0.0006188700000000, 0.0016101200000000, 0.0052320300000000 ] - [ -0.0002959800000000, -0.0002487900000000, 0.0000362700000000 ] - [ 0.0012091600000000, 0.0004870600000000, 0.0007145200000000 ] - [ 0.0005156500000000, -0.0001366000000000, -0.0000232000000000 ] - [ -0.0012340700000000, 0.0020958800000000, -0.0008646000000000 ] - [ -0.0000984100000000, 0.0005455500000000, -0.0000588700000000 ] - [ 0.0003351600000000, 0.0002689000000000, 0.0000110200000000 ] - [ 0.0002097000000000, -0.0000196100000000, 0.0003936400000000 ] - [ -0.0032724800000000, 0.0161742600000000, -0.0066346200000000 ] - [ 0.0000157500000000, 0.0000952000000000, 0.0000682300000000 ] - [ -0.0021889700000000, -0.0055781000000000, 0.0045192900000000 ] - [ 0.0000310600000000, -0.0000054500000000, 0.0002292000000000 ] - [ 0.0066097100000000, 0.0052327200000000, 0.0036012600000000 ] - [ 0.0000324100000000, 0.0000006500000000, -0.0005051800000000 ] - [ -0.0007625700000000, 0.0034459100000000, -0.0035712700000000 ] - [ -0.0005863500000000, 0.0004469500000000, -0.0004651900000000 ] - [ -0.0007770600000000, -0.0027560400000000, -0.0014631200000000 ] - [ -0.0001215200000000, -0.0002390200000000, 0.0003333400000000 ]- atom: 79 displacement: [ 0.0049999999944369, -0.0086602540410562, 0.0000000000000000 ] forces: - [ -0.0076896000000000, -0.0061684400000000, -0.0016108900000000 ] - [ 0.0000303000000000, 0.0001596300000000, 0.0000686800000000 ] - [ 0.0015744200000000, -0.0004712700000000, -0.0002511600000000 ] - [ -0.0001568500000000, -0.0000433400000000, 0.0000663700000000 ] - [ -0.0010634500000000, 0.0025497700000000, -0.0001466800000000 ] - [ 0.0001098900000000, -0.0001060900000000, 0.0000532000000000 ] - [ 0.0001276800000000, 0.0004360400000000, 0.0025765000000000 ] - [ -0.0001079500000000, -0.0001067200000000, -0.0001975700000000 ] - [ -0.0003319500000000, -0.0003823600000000, -0.0002997500000000 ] - [ 0.0001266100000000, -0.0000684200000000, -0.0000679500000000 ] - [ 0.0000805400000000, -0.0000032500000000, 0.0003201600000000 ] - [ -0.0000272600000000, 0.0001473600000000, -0.0001382700000000 ] - [ 0.1339184900000000, -0.0243592500000000, -0.0231544500000000 ] - [ -0.0000684000000000, 0.0001006200000000, -0.0001238400000000 ] - [ -0.0012699300000000, -0.0005920400000000, -0.0004615800000000 ] - [ -0.0000353800000000, -0.0001452100000000, -0.0001222200000000 ] - [ 0.0022665400000000, 0.0011861700000000, 0.0007031600000000 ] - [ 0.0001294300000000, 0.0000225500000000, -0.0001145100000000 ] - [ 0.1395925500000000, -0.3105114100000000, 0.0633346500000000 ] - [ 0.0000387000000000, 0.0001929500000000, -0.0000100700000000 ] - [ 0.0003189300000000, 0.0003487800000000, -0.0001937200000000 ] - [ -0.0001775000000000, -0.0000574000000000, 0.0000004200000000 ] - [ -0.0020675100000000, 0.0015970600000000, 0.0001366100000000 ] - [ 0.0001481600000000, -0.0001238200000000, -0.0000252000000000 ] - [ 0.0001371500000000, 0.0002153400000000, 0.0001234000000000 ] - [ -0.0000925400000000, 0.0001220200000000, -0.0000585900000000 ] - [ -0.0000521500000000, -0.0003260500000000, -0.0001956400000000 ] - [ -0.0001907400000000, -0.0000734800000000, 0.0001743200000000 ] - [ 0.0001336500000000, 0.0004489900000000, -0.0000501900000000 ] - [ 0.0001723600000000, -0.0001052300000000, 0.0000515100000000 ] - [ -0.0000367800000000, -0.0002193600000000, -0.0004048300000000 ] - [ -0.0003188900000000, -0.0000718800000000, 0.0005910200000000 ] - [ 0.0012263100000000, -0.0000164000000000, -0.0022133300000000 ] - [ 0.0000925900000000, -0.0000983100000000, 0.0001095100000000 ] - [ 0.0008289500000000, 0.0000085000000000, 0.0008867000000000 ] - [ -0.0000200300000000, 0.0001821400000000, -0.0001937700000000 ] - [ 0.0006314000000000, 0.0000790500000000, -0.0003618900000000 ] - [ 0.0001230500000000, 0.0001198300000000, -0.0001131300000000 ] - [ -0.0005625100000000, 0.0009235900000000, -0.0000522800000000 ] - [ -0.0002256500000000, 0.0001478100000000, -0.0001666200000000 ] - [ -0.0002390400000000, -0.0008690900000000, -0.0011805300000000 ] - [ 0.0001345000000000, -0.0000438800000000, -0.0001095400000000 ] - [ -0.0003832100000000, 0.0006456300000000, 0.0000498900000000 ] - [ -0.0000894300000000, 0.0003708300000000, -0.0000294600000000 ] - [ -0.0005765800000000, -0.0002979200000000, -0.0005271900000000 ] - [ -0.0002591700000000, -0.0001068500000000, 0.0000253800000000 ] - [ 0.0012877100000000, 0.0000144900000000, -0.0001221600000000 ] - [ 0.0003097300000000, -0.0001595000000000, -0.0000113900000000 ] - [ 0.0009214200000000, 0.0006599800000000, 0.0001840400000000 ] - [ 0.0002395300000000, 0.0003098400000000, 0.0001301700000000 ] - [ -0.0019922900000000, 0.0009943500000000, -0.0002333600000000 ] - [ -0.0003023700000000, 0.0000365000000000, 0.0001009500000000 ] - [ -0.0007574300000000, -0.0000204400000000, 0.0014067700000000 ] - [ 0.0001356000000000, -0.0002236700000000, 0.0000822400000000 ] - [ -0.0007992200000000, 0.0016374500000000, 0.0085694400000000 ] - [ -0.0001079200000000, -0.0000941700000000, -0.0001740400000000 ] - [ 0.0007112600000000, 0.0007002900000000, 0.0002004900000000 ] - [ 0.0001344700000000, -0.0000366200000000, -0.0001740300000000 ] - [ -0.0004684100000000, 0.0008335800000000, -0.0008854300000000 ] - [ -0.0000320500000000, 0.0001287900000000, -0.0001908200000000 ] - [ -0.0015607900000000, 0.0002132900000000, 0.0000730700000000 ] - [ -0.0001592200000000, 0.0000999100000000, -0.0001534500000000 ] - [ 0.0006967500000000, -0.0006029800000000, 0.0003572700000000 ] - [ 0.0000088700000000, -0.0001869600000000, -0.0001532900000000 ] - [ 0.0001470900000000, 0.0002245500000000, -0.0001871800000000 ] - [ 0.0001648400000000, 0.0000888800000000, -0.0000676600000000 ] - [ 0.0000854500000000, 0.0004405600000000, -0.0002349200000000 ] - [ -0.0000783700000000, 0.0003653100000000, -0.0000052300000000 ] - [ -0.0005464900000000, -0.0017077700000000, -0.0006049900000000 ] - [ -0.0002162200000000, -0.0001641100000000, 0.0000046400000000 ] - [ -0.0007536400000000, -0.0003160000000000, 0.0000484000000000 ] - [ 0.0001873200000000, -0.0001705600000000, -0.0000234300000000 ] - [ 0.0271752800000000, -0.0279186100000000, 0.0028924200000000 ] - [ -0.0002774100000000, -0.0001277100000000, 0.0001430200000000 ] - [ -0.0015790200000000, -0.0011431900000000, 0.0003695900000000 ] - [ 0.0002489100000000, -0.0001940300000000, 0.0001376500000000 ] - [ 0.0018884400000000, -0.0033176900000000, 0.0007715000000000 ] - [ 0.0000495500000000, 0.0003023400000000, 0.0001646900000000 ] - [ -0.3245444900000000, 0.3842794600000000, -0.0479577500000000 ] - [ -0.0000324100000000, -0.0000306000000000, 0.0000086900000000 ] - [ 0.0003122800000000, 0.0021717700000000, 0.0006984600000000 ] - [ 0.0000153500000000, 0.0000191900000000, 0.0000288100000000 ] - [ -0.0020198200000000, -0.0095622400000000, -0.0014547000000000 ] - [ -0.0000253900000000, 0.0000498700000000, -0.0000271500000000 ] - [ 0.0263884900000000, 0.0069742100000000, -0.0033300600000000 ] - [ -0.0002794200000000, -0.0001712400000000, -0.0000386600000000 ] - [ 0.0085058700000000, 0.0025827600000000, -0.0009680800000000 ] - [ 0.0003249400000000, -0.0001469000000000, -0.0001329200000000 ] - [ -0.0012844300000000, 0.0005200000000000, -0.0006064700000000 ] - [ -0.0000177100000000, 0.0003392400000000, -0.0000865100000000 ] - [ -0.0001527900000000, -0.0005601000000000, -0.0014898400000000 ] - [ -0.0001316400000000, -0.0001247600000000, 0.0002593800000000 ] - [ 0.0005726200000000, 0.0002752300000000, 0.0004549100000000 ] - [ 0.0003133400000000, -0.0001496800000000, 0.0000740600000000 ] - [ -0.0004885700000000, 0.0000125200000000, -0.0000425800000000 ] - [ -0.0000331100000000, 0.0002981900000000, 0.0001932700000000 ] - [ -0.0002736900000000, -0.0006961300000000, 0.0003655900000000 ] - [ -0.0001079800000000, -0.0002629400000000, -0.0002493400000000 ] - [ 0.0009064700000000, -0.0012573500000000, 0.0014059200000000 ] - [ 0.0002416500000000, -0.0001409100000000, -0.0001322400000000 ] - [ -0.0009338000000000, -0.0000177300000000, 0.0020740200000000 ] - [ -0.0001142400000000, 0.0001095600000000, -0.0000938400000000 ] - [ -0.0013724200000000, -0.0012330800000000, -0.0020405800000000 ] - [ -0.0004541600000000, -0.0001774300000000, 0.0000893200000000 ] - [ 0.0007709700000000, -0.0004045200000000, -0.0003596600000000 ] - [ -0.0001004300000000, -0.0003258100000000, 0.0015749600000000 ] - [ 0.0001348300000000, 0.0025986500000000, -0.0004796700000000 ] - [ -0.0003087200000000, 0.0007042800000000, -0.0009211900000000 ] - [ -0.0012308900000000, -0.0005995400000000, 0.0005836500000000 ] - [ -0.0002008300000000, -0.0003024000000000, -0.0004946900000000 ] - [ 0.0010971800000000, -0.0016415900000000, 0.0066477400000000 ] - [ 0.0003609100000000, -0.0001386600000000, -0.0001054900000000 ] - [ 0.0008327800000000, 0.0018040900000000, -0.0032958800000000 ] - [ -0.0000042800000000, 0.0003666100000000, 0.0000889700000000 ] - [ 0.0009681400000000, 0.0000116400000000, 0.0005762600000000 ] - [ 0.0001171800000000, -0.0001462000000000, 0.0000844800000000 ] - [ -0.0001687100000000, 0.0011845600000000, 0.0002384600000000 ] - [ -0.0000051800000000, 0.0001439400000000, 0.0000077500000000 ] - [ 0.0006271200000000, -0.0001639600000000, 0.0002960500000000 ] - [ -0.0000108500000000, 0.0000604800000000, -0.0000156200000000 ] - [ 0.0000977400000000, -0.0019675300000000, -0.0051271100000000 ] - [ -0.0002332800000000, -0.0000999700000000, 0.0000500800000000 ] - [ -0.0006434200000000, -0.0007801600000000, -0.0006331600000000 ] - [ 0.0000510000000000, -0.0001494500000000, 0.0001090300000000 ] - [ 0.0011963800000000, -0.0014645100000000, 0.0009549600000000 ] - [ 0.0000603900000000, 0.0000885200000000, 0.0001437200000000 ] - [ -0.0003338600000000, -0.0002704000000000, 0.0006262600000000 ] - [ -0.0002063900000000, 0.0000231100000000, 0.0002325200000000 ] - [ 0.0034924200000000, -0.0161370000000000, 0.0070448600000000 ] - [ -0.0000213200000000, -0.0000919300000000, 0.0005418700000000 ] - [ 0.0021826200000000, 0.0055682900000000, -0.0035048500000000 ] - [ -0.0000170400000000, 0.0000010700000000, 0.0007759300000000 ] - [ -0.0066706200000000, -0.0053394900000000, -0.0042833000000000 ] - [ -0.0000353300000000, -0.0000019600000000, -0.0001017700000000 ] - [ 0.0007501900000000, -0.0034847300000000, 0.0029154600000000 ] - [ 0.0005806300000000, -0.0004494100000000, -0.0001551400000000 ] - [ 0.0007725500000000, 0.0027608800000000, 0.0008357600000000 ] - [ 0.0001221600000000, 0.0002388800000000, -0.0009645500000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001045500000000, 0.0001049200000000, 0.0004208600000000 ] - [ -0.0000395800000000, 0.0001359800000000, -0.0001581500000000 ] - [ -0.0005454100000000, 0.0001162100000000, 0.0005841800000000 ] - [ -0.0000996800000000, -0.0001146200000000, -0.0001592600000000 ] - [ -0.0001572600000000, -0.0011293100000000, 0.0005591000000000 ] - [ 0.0001350200000000, -0.0000196300000000, -0.0001626700000000 ] - [ 0.0001603400000000, -0.0001381500000000, 0.0005217600000000 ] - [ -0.0000199700000000, -0.0002910500000000, -0.0013136800000000 ] - [ 0.0000426200000000, -0.0001544300000000, 0.0008244800000000 ] - [ 0.0002328100000000, 0.0001134600000000, -0.0012455100000000 ] - [ 0.0002641400000000, 0.0001776300000000, 0.0010516700000000 ] - [ -0.0002069600000000, 0.0001775700000000, -0.0012477800000000 ] - [ -0.0673325100000000, -0.0212708900000000, 0.0342877400000000 ] - [ -0.0000142300000000, 0.0000888600000000, -0.0003637300000000 ] - [ 0.0003856600000000, -0.0006133000000000, 0.0006146400000000 ] - [ -0.0000662400000000, -0.0000551100000000, -0.0003607000000000 ] - [ 0.0008107800000000, 0.0003997500000000, 0.0003572800000000 ] - [ 0.0000957500000000, -0.0000261400000000, -0.0003745600000000 ] - [ 0.0098950000000000, -0.0546813000000000, 0.0267701400000000 ] - [ 0.0000368200000000, 0.0001655500000000, -0.0002812200000000 ] - [ -0.0004845800000000, 0.0003113200000000, 0.0003001700000000 ] - [ -0.0001665100000000, -0.0000408300000000, -0.0002764000000000 ] - [ -0.0000070100000000, -0.0000378100000000, 0.0005130100000000 ] - [ 0.0001286700000000, -0.0001133600000000, -0.0002665900000000 ] - [ 0.0010355700000000, 0.0006742000000000, 0.0001019700000000 ] - [ -0.0002685000000000, 0.0000799900000000, -0.0002690100000000 ] - [ -0.0012229000000000, 0.0005060300000000, 0.0000790200000000 ] - [ 0.0001908600000000, -0.0002771000000000, -0.0002403200000000 ] - [ 0.0002948400000000, -0.0016773500000000, 0.0002650500000000 ] - [ 0.0001200600000000, 0.0001158800000000, -0.0000861300000000 ] - [ 0.0000158900000000, 0.0000333200000000, -0.0008184500000000 ] - [ 0.0004798100000000, -0.0003474500000000, -0.0026758100000000 ] - [ 0.0011682100000000, -0.0001076200000000, -0.0031161400000000 ] - [ 0.0002860700000000, 0.0001271900000000, -0.0015820100000000 ] - [ -0.0010351800000000, 0.0002420500000000, -0.0029052700000000 ] - [ -0.0002900700000000, 0.0003324900000000, -0.0017717800000000 ] - [ -0.0016550500000000, 0.0002001500000000, 0.0003873500000000 ] - [ 0.0001897300000000, 0.0000971700000000, -0.0003475000000000 ] - [ 0.0004858200000000, -0.0009206800000000, 0.0001098000000000 ] - [ -0.0002497400000000, 0.0002658800000000, -0.0003630500000000 ] - [ 0.0001916400000000, 0.0008606900000000, -0.0010019000000000 ] - [ -0.0000377000000000, -0.0003281100000000, -0.0004292100000000 ] - [ 0.0000761500000000, 0.0002230900000000, -0.0000169000000000 ] - [ -0.0000467300000000, 0.0002829400000000, -0.0002059100000000 ] - [ -0.0002678800000000, -0.0000593600000000, -0.0000094300000000 ] - [ -0.0001661400000000, -0.0001088100000000, -0.0001801000000000 ] - [ 0.0007741600000000, 0.0000513100000000, -0.0003073500000000 ] - [ 0.0001324500000000, -0.0001631400000000, -0.0002647300000000 ] - [ 0.0000050800000000, 0.0001471100000000, 0.0003702700000000 ] - [ -0.0003131600000000, -0.0000642500000000, -0.0002651200000000 ] - [ -0.0020594500000000, 0.0008367000000000, 0.0009525100000000 ] - [ 0.0000064000000000, -0.0001559400000000, -0.0001684600000000 ] - [ 0.0017459000000000, -0.0026759500000000, -0.0004265700000000 ] - [ 0.0001150500000000, 0.0001487800000000, -0.0001549300000000 ] - [ 0.0012398800000000, -0.0012288300000000, 0.0027742300000000 ] - [ -0.0000428900000000, -0.0002639300000000, -0.0012581600000000 ] - [ -0.0001077500000000, -0.0006400700000000, 0.0015917700000000 ] - [ 0.0002478400000000, 0.0000970600000000, -0.0012770000000000 ] - [ 0.0001399600000000, 0.0001484300000000, 0.0015272600000000 ] - [ -0.0002182800000000, 0.0001586600000000, -0.0012732600000000 ] - [ 0.0004270300000000, 0.0001462900000000, -0.0000851200000000 ] - [ -0.0000387900000000, 0.0000971100000000, -0.0003041000000000 ] - [ -0.0002086500000000, -0.0014775500000000, -0.0006694300000000 ] - [ -0.0000436200000000, -0.0001147300000000, -0.0003532300000000 ] - [ -0.0000590400000000, 0.0000600600000000, 0.0000034900000000 ] - [ 0.0001009900000000, 0.0000184000000000, -0.0003221400000000 ] - [ -0.0002263700000000, 0.0006759900000000, 0.0000641300000000 ] - [ 0.0002444900000000, -0.0000918100000000, -0.0002446100000000 ] - [ -0.0018116800000000, -0.0006560600000000, -0.0019442500000000 ] - [ -0.0001079800000000, 0.0000434000000000, -0.0002664700000000 ] - [ 0.0024474500000000, 0.0002090100000000, 0.0000211100000000 ] - [ -0.0000499900000000, -0.0000929900000000, -0.0002578200000000 ] - [ 0.0017999800000000, -0.0025904900000000, -0.0064878900000000 ] - [ -0.0002896800000000, -0.0000497400000000, 0.0012240500000000 ] - [ 0.0004374800000000, -0.0003478900000000, -0.0016694800000000 ] - [ 0.0002029900000000, -0.0002185300000000, 0.0012284500000000 ] - [ 0.0001679500000000, 0.0008018300000000, -0.0014808700000000 ] - [ 0.0001080500000000, 0.0002724600000000, 0.0012282500000000 ] - [ 0.0720443500000000, 0.0917199200000000, -0.0757351600000000 ] - [ -0.0000438100000000, 0.0000166000000000, 0.0009509000000000 ] - [ -0.0010887500000000, -0.0011131700000000, -0.0027573400000000 ] - [ -0.0000182400000000, -0.0000723500000000, 0.0010127200000000 ] - [ -0.0006587100000000, -0.0015377100000000, -0.0027571300000000 ] - [ 0.0000129000000000, 0.0000015600000000, 0.0010137300000000 ] - [ -0.0118085900000000, -0.0008047300000000, -0.0058571700000000 ] - [ -0.0002007000000000, -0.0000067300000000, 0.0010192200000000 ] - [ -0.0005596400000000, -0.0002505500000000, -0.0014086200000000 ] - [ 0.0001248700000000, -0.0001743300000000, 0.0009687300000000 ] - [ -0.0001815100000000, -0.0002039900000000, -0.0012228600000000 ] - [ 0.0000775200000000, 0.0002130300000000, 0.0009722400000000 ] - [ -0.0009162100000000, -0.0004812500000000, -0.0003486700000000 ] - [ -0.0000757400000000, -0.0000222200000000, 0.0012963000000000 ] - [ 0.0008768700000000, -0.0003928600000000, -0.0003873300000000 ] - [ -0.0000153700000000, -0.0001193800000000, 0.0011164600000000 ] - [ -0.0005021200000000, 0.0011815400000000, -0.0004688600000000 ] - [ 0.0002118200000000, 0.0002307100000000, 0.0011803200000000 ] - [ 0.0009874000000000, 0.0000081400000000, -0.0004880300000000 ] - [ -0.0001261500000000, -0.0000654800000000, 0.0006604500000000 ] - [ -0.0002390000000000, 0.0003739100000000, -0.0003081300000000 ] - [ 0.0001379100000000, -0.0002029000000000, 0.0006811300000000 ] - [ -0.0001445300000000, -0.0017190300000000, 0.0011746900000000 ] - [ 0.0000808700000000, 0.0002871100000000, 0.0007482700000000 ] - [ 0.0024576100000000, 0.0025774600000000, 0.0051314300000000 ] - [ -0.0004620100000000, -0.0003962900000000, 0.0006051300000000 ] - [ -0.0021813100000000, -0.0004648600000000, 0.0018603100000000 ] - [ -0.0000081300000000, -0.0003952600000000, 0.0022478700000000 ] - [ 0.0002704000000000, -0.0006640600000000, 0.0013641500000000 ] - [ 0.0002160100000000, 0.0001944800000000, 0.0021113600000000 ] - [ -0.0005193600000000, -0.0009735900000000, 0.0002588900000000 ] - [ -0.0005016400000000, 0.0002378500000000, 0.0023058200000000 ] - [ 0.0025617100000000, -0.0037484500000000, 0.0059580800000000 ] - [ 0.0000605400000000, -0.0002684900000000, 0.0014174500000000 ] - [ -0.0049359300000000, 0.0004478400000000, 0.0060942900000000 ] - [ 0.0002350500000000, 0.0000715900000000, 0.0015152200000000 ] - [ -0.0001382100000000, -0.0004600900000000, -0.0004367700000000 ] - [ -0.0001458800000000, 0.0002445800000000, 0.0007042000000000 ] - [ 0.0019285400000000, 0.0012292600000000, 0.0012089000000000 ] - [ -0.0001320400000000, -0.0000747400000000, 0.0007922500000000 ] - [ -0.0013708000000000, 0.0001178000000000, -0.0002553300000000 ] - [ 0.0001660600000000, -0.0000741900000000, 0.0007256200000000 ] - [ -0.0008619100000000, 0.0011812900000000, -0.0010209100000000 ] - [ -0.0001721400000000, -0.0001336800000000, 0.0009237700000000 ] - [ 0.0000961000000000, 0.0010753600000000, -0.0002909300000000 ] - [ 0.0003939600000000, -0.0000446000000000, 0.0009064900000000 ] - [ 0.0009361300000000, -0.0001227200000000, -0.0008728300000000 ] - [ -0.0000003300000000, 0.0001562600000000, 0.0010036700000000 ] - [ 0.0001761000000000, -0.0000535600000000, -0.0004573800000000 ] - [ -0.0007247600000000, -0.0002664000000000, -0.0005838000000000 ] - [ -0.0038019600000000, -0.0063085600000000, 0.0148513800000000 ] - [ 0.0000862600000000, 0.0001167100000000, -0.0014849200000000 ] - [ -0.0002257500000000, 0.0009195500000000, 0.0024858100000000 ] - [ 0.0000037500000000, -0.0000473500000000, -0.0008953700000000 ] - [ -0.0000885400000000, 0.0023363000000000, 0.0045405200000000 ] - [ -0.0000072400000000, -0.0000361800000000, -0.0020530800000000 ] - [ 0.0010649600000000, 0.0004135600000000, -0.0029740700000000 ] - [ 0.0003637100000000, 0.0004546900000000, -0.0023837600000000 ] - [ 0.0003474200000000, -0.0006059400000000, -0.0017166500000000 ] - [ -0.0002745900000000, 0.0000979400000000, -0.0016661900000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000042200000000, 0.0002836400000000, -0.0003246500000000 ] - [ 0.0001285600000000, 0.0002175600000000, 0.0002493100000000 ] - [ 0.0001862600000000, -0.0002082000000000, -0.0004892300000000 ] - [ -0.0002640600000000, 0.0000235700000000, 0.0002508600000000 ] - [ 0.0004222500000000, 0.0009004000000000, -0.0004711500000000 ] - [ 0.0001237700000000, -0.0002331000000000, 0.0002526400000000 ] - [ -0.0003624700000000, -0.0000682500000000, -0.0009469200000000 ] - [ -0.0001896700000000, 0.0000807200000000, 0.0008415600000000 ] - [ 0.0002394300000000, 0.0000774800000000, -0.0012761500000000 ] - [ 0.0000514100000000, -0.0001877000000000, 0.0007722800000000 ] - [ -0.0003387800000000, 0.0001062400000000, -0.0015067100000000 ] - [ 0.0001276100000000, 0.0001081600000000, 0.0007736000000000 ] - [ 0.0677386700000000, 0.0218830500000000, -0.0366251300000000 ] - [ -0.0001056200000000, 0.0001228900000000, 0.0000697700000000 ] - [ -0.0005110900000000, 0.0004034900000000, -0.0009098500000000 ] - [ -0.0000516100000000, -0.0001638900000000, 0.0000701300000000 ] - [ -0.0005652400000000, -0.0004031400000000, -0.0006481900000000 ] - [ 0.0001513300000000, 0.0000285800000000, 0.0000820400000000 ] - [ -0.0104204900000000, 0.0570226300000000, -0.0287114000000000 ] - [ 0.0000025200000000, 0.0002845800000000, 0.0001993500000000 ] - [ 0.0000748300000000, -0.0004974200000000, -0.0003761500000000 ] - [ -0.0002429000000000, -0.0001485800000000, 0.0001949900000000 ] - [ 0.0003855100000000, -0.0002281900000000, -0.0005955300000000 ] - [ 0.0002421800000000, -0.0001460700000000, 0.0001852500000000 ] - [ -0.0009306400000000, -0.0003114300000000, -0.0000008700000000 ] - [ 0.0003590000000000, 0.0002761900000000, 0.0003683100000000 ] - [ 0.0008478200000000, -0.0005918200000000, 0.0000236300000000 ] - [ -0.0005539900000000, 0.0001838800000000, 0.0003395900000000 ] - [ -0.0000322700000000, 0.0014060400000000, -0.0001635800000000 ] - [ 0.0001407200000000, -0.0003705600000000, 0.0001835500000000 ] - [ -0.0002335700000000, -0.0002393300000000, 0.0003317400000000 ] - [ -0.0006922100000000, 0.0001418200000000, 0.0021768900000000 ] - [ -0.0008875200000000, 0.0000275200000000, 0.0026305300000000 ] - [ -0.0000022200000000, -0.0002107800000000, 0.0010952200000000 ] - [ 0.0009639100000000, 0.0000477400000000, 0.0024171700000000 ] - [ 0.0002180100000000, -0.0000400800000000, 0.0012758200000000 ] - [ 0.0015151700000000, 0.0000071500000000, -0.0006729800000000 ] - [ -0.0003142600000000, 0.0001086800000000, 0.0000555700000000 ] - [ -0.0005928200000000, 0.0006958200000000, -0.0003962200000000 ] - [ 0.0001360100000000, -0.0004815200000000, 0.0000733000000000 ] - [ 0.0000477100000000, -0.0008422300000000, 0.0006991200000000 ] - [ 0.0002801300000000, 0.0003356300000000, 0.0001386300000000 ] - [ -0.0000341300000000, 0.0002435400000000, -0.0000593100000000 ] - [ 0.0000912900000000, 0.0001796100000000, 0.0001265100000000 ] - [ -0.0001539900000000, -0.0001321900000000, -0.0000646500000000 ] - [ -0.0002571100000000, -0.0000837100000000, 0.0001007400000000 ] - [ -0.0003877700000000, -0.0003180300000000, 0.0002249100000000 ] - [ 0.0002476900000000, -0.0001062200000000, 0.0001859300000000 ] - [ 0.0000770700000000, 0.0001950600000000, -0.0002770800000000 ] - [ 0.0003913200000000, 0.0004042400000000, 0.0003570800000000 ] - [ 0.0017187300000000, -0.0009306400000000, -0.0008625100000000 ] - [ -0.0003522200000000, 0.0000618400000000, 0.0002614800000000 ] - [ -0.0014984600000000, 0.0024445700000000, 0.0005189400000000 ] - [ 0.0001378900000000, -0.0003875300000000, 0.0002473600000000 ] - [ -0.0014562900000000, 0.0010200800000000, -0.0032966400000000 ] - [ -0.0001712300000000, 0.0000533900000000, 0.0007909500000000 ] - [ 0.0003915900000000, 0.0005620200000000, -0.0020628600000000 ] - [ 0.0000384200000000, -0.0001744000000000, 0.0008081300000000 ] - [ -0.0002188300000000, 0.0001389800000000, -0.0020055000000000 ] - [ 0.0001400100000000, 0.0001309800000000, 0.0008018200000000 ] - [ -0.0005668200000000, 0.0000590700000000, -0.0002143100000000 ] - [ -0.0001007600000000, 0.0001090500000000, 0.0000063300000000 ] - [ 0.0001023300000000, 0.0012596200000000, 0.0003745100000000 ] - [ -0.0000647700000000, -0.0001107300000000, 0.0000558300000000 ] - [ 0.0003076200000000, -0.0000413800000000, -0.0003019600000000 ] - [ 0.0001475900000000, 0.0000008500000000, 0.0000249000000000 ] - [ 0.0002677000000000, -0.0002151100000000, -0.0001369600000000 ] - [ -0.0002035400000000, 0.0005547200000000, 0.0001715900000000 ] - [ 0.0013976300000000, 0.0004554700000000, 0.0018785900000000 ] - [ -0.0003134500000000, -0.0002404000000000, 0.0001939800000000 ] - [ -0.0020716300000000, -0.0004754800000000, -0.0000938900000000 ] - [ 0.0004332200000000, -0.0001729800000000, 0.0001850400000000 ] - [ -0.0024738300000000, 0.0023880600000000, 0.0069463600000000 ] - [ -0.0002700300000000, -0.0002511300000000, -0.0007617100000000 ] - [ 0.0001237200000000, 0.0000038700000000, 0.0021222300000000 ] - [ 0.0003545200000000, -0.0001281300000000, -0.0007710600000000 ] - [ -0.0001452700000000, -0.0001728600000000, 0.0019435800000000 ] - [ -0.0000815700000000, 0.0003608800000000, -0.0007666700000000 ] - [ -0.0725563700000000, -0.0950271300000000, 0.0802589000000000 ] - [ -0.0000174300000000, -0.0001539600000000, -0.0007693800000000 ] - [ 0.0012382800000000, 0.0011261800000000, 0.0029366900000000 ] - [ 0.0001623600000000, 0.0000972300000000, -0.0008292600000000 ] - [ 0.0005566200000000, 0.0016671100000000, 0.0029370100000000 ] - [ -0.0001099100000000, 0.0001149300000000, -0.0008281200000000 ] - [ 0.0114285100000000, 0.0005016800000000, 0.0058454300000000 ] - [ -0.0003729700000000, -0.0003115500000000, -0.0009861600000000 ] - [ 0.0011322900000000, -0.0000970600000000, 0.0014338700000000 ] - [ 0.0004402700000000, -0.0001675500000000, -0.0009374000000000 ] - [ 0.0001876000000000, 0.0008849200000000, 0.0012370200000000 ] - [ -0.0000675200000000, 0.0004457300000000, -0.0009406400000000 ] - [ 0.0003574200000000, 0.0002353000000000, 0.0008125000000000 ] - [ -0.0004741100000000, -0.0002145500000000, -0.0008019900000000 ] - [ -0.0003758300000000, 0.0000244200000000, 0.0008603300000000 ] - [ 0.0005084200000000, -0.0002469300000000, -0.0006272500000000 ] - [ 0.0005693200000000, -0.0005782700000000, 0.0009465700000000 ] - [ -0.0001381700000000, 0.0003606200000000, -0.0006891200000000 ] - [ -0.0010119900000000, -0.0001022200000000, 0.0006331000000000 ] - [ 0.0000898900000000, -0.0000252800000000, -0.0005039900000000 ] - [ 0.0003275200000000, -0.0003471100000000, 0.0004522400000000 ] - [ -0.0000438500000000, 0.0002224800000000, -0.0005214800000000 ] - [ 0.0000807700000000, 0.0017681700000000, -0.0010026900000000 ] - [ -0.0001494800000000, -0.0002139800000000, -0.0005874700000000 ] - [ -0.0029640000000000, -0.0028919400000000, -0.0049694200000000 ] - [ -0.0000707300000000, 0.0000542300000000, -0.0004871100000000 ] - [ 0.0027278000000000, 0.0001653600000000, -0.0017431800000000 ] - [ 0.0005779800000000, 0.0001012300000000, -0.0021349400000000 ] - [ -0.0002928300000000, 0.0012985200000000, -0.0012436900000000 ] - [ -0.0002450500000000, 0.0004420200000000, -0.0019969700000000 ] - [ 0.0000008900000000, 0.0006879000000000, 0.0001072800000000 ] - [ -0.0000171000000000, -0.0005228200000000, -0.0019299200000000 ] - [ -0.0020680100000000, 0.0034778800000000, -0.0056435700000000 ] - [ 0.0004584300000000, -0.0000431200000000, -0.0010572000000000 ] - [ 0.0050016800000000, 0.0001450300000000, -0.0057763200000000 ] - [ -0.0002193000000000, 0.0005158200000000, -0.0011465000000000 ] - [ 0.0000902600000000, 0.0003399800000000, 0.0006865000000000 ] - [ 0.0000971200000000, -0.0003675200000000, -0.0004618700000000 ] - [ -0.0018112300000000, -0.0012109100000000, -0.0009660000000000 ] - [ 0.0002612400000000, 0.0000977300000000, -0.0005452500000000 ] - [ 0.0012875100000000, -0.0000173600000000, 0.0005073800000000 ] - [ -0.0002547300000000, 0.0001750300000000, -0.0004786500000000 ] - [ 0.0003386900000000, -0.0015291000000000, 0.0011347600000000 ] - [ -0.0003555500000000, -0.0002151300000000, -0.0008349700000000 ] - [ 0.0004733500000000, -0.0013644000000000, 0.0003780300000000 ] - [ 0.0001742900000000, -0.0002396900000000, -0.0008186200000000 ] - [ -0.0009773000000000, 0.0007587800000000, 0.0009631900000000 ] - [ -0.0000384600000000, 0.0004759000000000, -0.0009156000000000 ] - [ -0.0001717600000000, 0.0000522000000000, 0.0010921200000000 ] - [ 0.0007307400000000, 0.0002696900000000, 0.0012055200000000 ] - [ 0.0041722600000000, 0.0070166300000000, -0.0145606000000000 ] - [ -0.0000909200000000, -0.0001121800000000, 0.0020864000000000 ] - [ 0.0002148200000000, -0.0009353500000000, -0.0014476800000000 ] - [ 0.0000099200000000, 0.0000428400000000, 0.0018924200000000 ] - [ 0.0000523800000000, -0.0024111700000000, -0.0052147800000000 ] - [ 0.0000043400000000, 0.0000346400000000, 0.0014395500000000 ] - [ -0.0010470900000000, -0.0003878600000000, 0.0023975900000000 ] - [ -0.0003699600000000, -0.0004551600000000, 0.0017558800000000 ] - [ -0.0003549800000000, 0.0006008700000000, 0.0010776000000000 ] - [ 0.0002714200000000, -0.0000979100000000, 0.0010320800000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0077785100000000, -0.0050373200000000, -0.0008878300000000 ] - [ 0.0000077700000000, 0.0001683100000000, 0.0000168900000000 ] - [ 0.0032525700000000, -0.0005125600000000, -0.0001514000000000 ] - [ -0.0001472200000000, -0.0000705600000000, 0.0000163800000000 ] - [ 0.0123325000000000, -0.0052989400000000, 0.0017451000000000 ] - [ 0.0001382700000000, -0.0000877000000000, 0.0000209500000000 ] - [ 0.0142505900000000, 0.0012299900000000, -0.0016239900000000 ] - [ -0.0001058600000000, -0.0001164000000000, -0.0003439000000000 ] - [ -0.0009934500000000, -0.0009333500000000, 0.0045915300000000 ] - [ 0.0001969900000000, -0.0000155800000000, -0.0004680400000000 ] - [ 0.0014802000000000, 0.0005807300000000, 0.0035735600000000 ] - [ -0.0000941700000000, 0.0001474700000000, -0.0004490700000000 ] - [ -0.0256058800000000, -0.0000546600000000, 0.0071062100000000 ] - [ -0.0000095500000000, 0.0001098500000000, -0.0001756400000000 ] - [ -0.0033246900000000, 0.0044233400000000, -0.0013789400000000 ] - [ -0.0000940800000000, -0.0000556300000000, -0.0001702100000000 ] - [ -0.0024136000000000, -0.0032604900000000, -0.0009349100000000 ] - [ 0.0000966300000000, -0.0000573200000000, -0.0001735300000000 ] - [ -0.0025894800000000, 0.0088853100000000, -0.0022294100000000 ] - [ 0.0000058000000000, 0.0002457700000000, -0.0000580900000000 ] - [ 0.0001770400000000, -0.0001808600000000, 0.0000545000000000 ] - [ -0.0002130100000000, -0.0001107200000000, -0.0000663300000000 ] - [ 0.0001392800000000, -0.0013714700000000, 0.0002495000000000 ] - [ 0.0001988200000000, -0.0001355200000000, -0.0000618800000000 ] - [ 0.0012563300000000, 0.0002929600000000, -0.0021572300000000 ] - [ 0.0001670600000000, 0.0002603100000000, 0.0001190400000000 ] - [ -0.0016657100000000, 0.0006816600000000, 0.0003223200000000 ] - [ -0.0004256800000000, 0.0000524100000000, 0.0000731200000000 ] - [ 0.0001330900000000, -0.0011731400000000, 0.0002848000000000 ] - [ 0.0002262500000000, -0.0003051100000000, -0.0000247100000000 ] - [ -0.0000760200000000, -0.0002253000000000, -0.0004486500000000 ] - [ 0.0000271700000000, -0.0001686300000000, -0.0007804700000000 ] - [ -0.0001262400000000, -0.0001414500000000, 0.0008184500000000 ] - [ 0.0002433100000000, 0.0000888900000000, -0.0008369000000000 ] - [ 0.0001874000000000, 0.0000972300000000, 0.0002707400000000 ] - [ -0.0001792500000000, 0.0001832700000000, -0.0006862200000000 ] - [ -0.0006879600000000, 0.0002274400000000, 0.0001601500000000 ] - [ -0.0001042000000000, 0.0001184900000000, -0.0001667700000000 ] - [ 0.0002824700000000, -0.0008090700000000, -0.0000761700000000 ] - [ -0.0000018000000000, -0.0002993100000000, -0.0001788100000000 ] - [ -0.0003818600000000, 0.0001046200000000, -0.0007796300000000 ] - [ 0.0001577000000000, 0.0000844800000000, -0.0001304000000000 ] - [ 0.0003731100000000, 0.0004143200000000, 0.0005801500000000 ] - [ 0.0000394400000000, 0.0002623500000000, -0.0000902600000000 ] - [ -0.0007168500000000, -0.0009799500000000, 0.0001333900000000 ] - [ -0.0003149100000000, -0.0001515100000000, -0.0001832700000000 ] - [ 0.0012415300000000, 0.0005920400000000, -0.0007728700000000 ] - [ 0.0003258000000000, -0.0001204100000000, -0.0000732400000000 ] - [ 0.0003014700000000, 0.0001460200000000, -0.0001018800000000 ] - [ -0.0000321700000000, 0.0000956000000000, 0.0000060000000000 ] - [ 0.0006306600000000, -0.0007377400000000, 0.0003961900000000 ] - [ -0.0000704300000000, -0.0000898300000000, 0.0000147300000000 ] - [ -0.0006198700000000, 0.0006648000000000, 0.0003260200000000 ] - [ 0.0000901000000000, -0.0000318500000000, 0.0000370800000000 ] - [ -0.0004315600000000, 0.0002435600000000, -0.0001047800000000 ] - [ -0.0001039400000000, -0.0001157500000000, -0.0003156400000000 ] - [ 0.0003097900000000, 0.0003231900000000, -0.0003839000000000 ] - [ 0.0001538800000000, -0.0000295700000000, -0.0003427500000000 ] - [ 0.0004617600000000, 0.0004752300000000, 0.0003267000000000 ] - [ -0.0000592300000000, 0.0001368100000000, -0.0003603700000000 ] - [ -0.0017954500000000, -0.0000399700000000, 0.0000057500000000 ] - [ -0.0001767000000000, 0.0000766200000000, -0.0000946900000000 ] - [ 0.0003729800000000, 0.0000102400000000, 0.0000502800000000 ] - [ -0.0000093500000000, -0.0001361300000000, -0.0001685400000000 ] - [ 0.0006502000000000, 0.0006145500000000, -0.0001147100000000 ] - [ 0.0001921800000000, 0.0001021900000000, -0.0001624000000000 ] - [ 0.0007903000000000, -0.0010796400000000, 0.0000539500000000 ] - [ 0.0001245800000000, 0.0000442400000000, -0.0000435400000000 ] - [ 0.0002956400000000, 0.0007791300000000, 0.0012033700000000 ] - [ -0.0001333500000000, 0.0000249600000000, -0.0000842100000000 ] - [ -0.0009924400000000, -0.0001282200000000, -0.0002228400000000 ] - [ 0.0000521700000000, -0.0001045200000000, 0.0000149300000000 ] - [ 0.0078512100000000, -0.0006658000000000, 0.0016197000000000 ] - [ -0.0002541200000000, -0.0001535900000000, 0.0003219200000000 ] - [ -0.0019691900000000, -0.0000026000000000, 0.0004138100000000 ] - [ 0.0002606100000000, -0.0001586600000000, 0.0003365700000000 ] - [ -0.0063444700000000, 0.0023162200000000, -0.0006779100000000 ] - [ 0.0000110600000000, 0.0003087200000000, 0.0003558000000000 ] - [ 0.0494579600000000, -0.0025198700000000, -0.0117033600000000 ] - [ -0.0000548100000000, -0.0000917100000000, 0.0001746200000000 ] - [ 0.0033531700000000, -0.0012891800000000, 0.0006555200000000 ] - [ 0.0001202300000000, -0.0000108700000000, 0.0001541800000000 ] - [ 0.0016618400000000, 0.0039482200000000, 0.0004505200000000 ] - [ -0.0000487800000000, 0.0001135500000000, 0.0001668800000000 ] - [ -0.1315578000000000, -0.0696217600000000, -0.0487564200000000 ] - [ -0.0003334200000000, -0.0001881700000000, 0.0000915800000000 ] - [ 0.0186728600000000, 0.0069226600000000, 0.0023506300000000 ] - [ 0.0002846600000000, -0.0002038600000000, 0.0001905300000000 ] - [ -0.0052461600000000, 0.0068914000000000, -0.0065080600000000 ] - [ 0.0000231300000000, 0.0003531600000000, 0.0001724100000000 ] - [ -0.0081634400000000, -0.0015863600000000, -0.0021772500000000 ] - [ -0.0003989500000000, -0.0002141300000000, 0.0003761500000000 ] - [ 0.0015694400000000, 0.0002012800000000, -0.0028002600000000 ] - [ 0.0004341800000000, -0.0002903500000000, 0.0006227800000000 ] - [ -0.0013304800000000, 0.0004698100000000, -0.0024635400000000 ] - [ -0.0001604000000000, 0.0003484700000000, 0.0005727900000000 ] - [ 0.0000734000000000, -0.0004211400000000, -0.0005235300000000 ] - [ 0.0000005500000000, -0.0000714900000000, 0.0001675400000000 ] - [ 0.0003312800000000, 0.0009197300000000, -0.0000191000000000 ] - [ 0.0001056300000000, 0.0001589700000000, 0.0002071300000000 ] - [ 0.0000492100000000, -0.0011108500000000, 0.0012347700000000 ] - [ -0.0001450500000000, -0.0000147600000000, 0.0001083100000000 ] - [ 0.0009174500000000, 0.0011970400000000, 0.0015267600000000 ] - [ -0.0001658000000000, 0.0000614500000000, 0.0003017000000000 ] - [ -0.0001410700000000, -0.0000104500000000, 0.0011243200000000 ] - [ 0.0003488000000000, 0.0000133200000000, -0.0005849000000000 ] - [ 0.0010989500000000, -0.0002312700000000, 0.0007580600000000 ] - [ 0.0000283600000000, 0.0002533900000000, -0.0002608100000000 ] - [ -0.0005121700000000, 0.0007404100000000, 0.0002077500000000 ] - [ -0.0003415700000000, 0.0000299500000000, 0.0006145900000000 ] - [ -0.0001443500000000, 0.0004356500000000, -0.0018873300000000 ] - [ 0.0001300900000000, -0.0002707300000000, 0.0006195100000000 ] - [ 0.0015125800000000, 0.0001160400000000, -0.0013242800000000 ] - [ 0.0001689800000000, 0.0002205600000000, 0.0004951900000000 ] - [ 0.0009941700000000, 0.0018081000000000, 0.0028350500000000 ] - [ -0.0000339000000000, 0.0001483600000000, -0.0000753400000000 ] - [ -0.0020276200000000, -0.0011480900000000, 0.0008292800000000 ] - [ -0.0001323600000000, -0.0000883400000000, 0.0001112900000000 ] - [ 0.0004273000000000, -0.0009637500000000, 0.0010836900000000 ] - [ -0.0000793300000000, -0.0001299400000000, 0.0000506000000000 ] - [ 0.0009163400000000, -0.0003925900000000, -0.0000042500000000 ] - [ -0.0001638600000000, -0.0001522700000000, 0.0000982600000000 ] - [ 0.0000759100000000, -0.0003570300000000, -0.0000306400000000 ] - [ 0.0003151600000000, -0.0000825500000000, 0.0001192400000000 ] - [ -0.0008412300000000, 0.0004117900000000, -0.0005636000000000 ] - [ -0.0000834600000000, 0.0002284100000000, 0.0002164200000000 ] - [ 0.0006203900000000, 0.0003459600000000, 0.0010851100000000 ] - [ 0.0006877000000000, 0.0006957900000000, -0.0009140600000000 ] - [ -0.0036260200000000, -0.0059466700000000, 0.0042277300000000 ] - [ -0.0000304200000000, 0.0000169400000000, 0.0000688700000000 ] - [ -0.0000060500000000, 0.0005378400000000, 0.0006460200000000 ] - [ -0.0000189100000000, 0.0000031500000000, 0.0003446700000000 ] - [ 0.0867319500000000, 0.0618483500000000, 0.0558360600000000 ] - [ 0.0000433200000000, 0.0000349000000000, -0.0003941700000000 ] - [ -0.0031981400000000, -0.0021080300000000, -0.0045715000000000 ] - [ -0.0002320600000000, -0.0001669700000000, -0.0004475100000000 ] - [ -0.0002602200000000, -0.0003002100000000, -0.0001798900000000 ] - [ -0.0001205800000000, 0.0000422100000000, -0.0005893600000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0079058300000000, 0.0054405900000000, 0.0009963500000000 ] - [ 0.0000793700000000, 0.0001844900000000, 0.0000744300000000 ] - [ -0.0036116000000000, 0.0004191000000000, 0.0002434000000000 ] - [ -0.0002153300000000, -0.0000210600000000, 0.0000753400000000 ] - [ -0.0119594300000000, 0.0052905700000000, -0.0016607600000000 ] - [ 0.0001201900000000, -0.0001633800000000, 0.0000692100000000 ] - [ -0.0144121000000000, -0.0013723100000000, 0.0014728600000000 ] - [ -0.0001047700000000, -0.0000926000000000, -0.0001227900000000 ] - [ 0.0012707600000000, 0.0008496300000000, -0.0050816200000000 ] - [ 0.0000864300000000, -0.0000596700000000, 0.0000002300000000 ] - [ -0.0015623600000000, -0.0003050000000000, -0.0040407800000000 ] - [ 0.0000156100000000, 0.0001384700000000, -0.0000199700000000 ] - [ 0.0254430700000000, 0.0002016600000000, -0.0074039200000000 ] - [ -0.0001110600000000, 0.0001017300000000, -0.0001173900000000 ] - [ 0.0032061100000000, -0.0046635100000000, 0.0010899600000000 ] - [ -0.0000236400000000, -0.0001633700000000, -0.0001194700000000 ] - [ 0.0026496300000000, 0.0032509900000000, 0.0006422500000000 ] - [ 0.0001499800000000, 0.0000604600000000, -0.0001181600000000 ] - [ 0.0026525200000000, -0.0083865600000000, 0.0021297700000000 ] - [ 0.0000327000000000, 0.0002046700000000, -0.0000228300000000 ] - [ -0.0005896400000000, -0.0000201000000000, -0.0001376800000000 ] - [ -0.0001966800000000, -0.0000793000000000, -0.0000140700000000 ] - [ 0.0002671200000000, 0.0011117500000000, -0.0003314400000000 ] - [ 0.0001723700000000, -0.0001232900000000, -0.0000186600000000 ] - [ -0.0011153000000000, 0.0000864800000000, 0.0022458400000000 ] - [ -0.0000774800000000, 0.0000957200000000, -0.0000196200000000 ] - [ 0.0012982100000000, -0.0007739600000000, -0.0002254600000000 ] - [ 0.0000620500000000, -0.0001458300000000, 0.0000267900000000 ] - [ 0.0001282500000000, 0.0009085200000000, -0.0001864200000000 ] - [ 0.0000347800000000, 0.0000507200000000, 0.0001222600000000 ] - [ -0.0001424100000000, 0.0000203800000000, -0.0000313100000000 ] - [ -0.0002441800000000, -0.0000359600000000, 0.0002935700000000 ] - [ 0.0004066400000000, 0.0000565400000000, -0.0012953700000000 ] - [ 0.0000412700000000, -0.0001700900000000, 0.0003494900000000 ] - [ -0.0002546700000000, 0.0001923600000000, -0.0007439300000000 ] - [ 0.0001067100000000, 0.0001072500000000, 0.0001934000000000 ] - [ 0.0005510700000000, -0.0000228600000000, -0.0004505400000000 ] - [ -0.0000211300000000, 0.0000873400000000, -0.0001242000000000 ] - [ -0.0003923000000000, 0.0005922400000000, -0.0002112200000000 ] - [ -0.0001117200000000, 0.0000831500000000, -0.0001103400000000 ] - [ 0.0006248900000000, -0.0000929100000000, 0.0004831700000000 ] - [ 0.0000848800000000, -0.0000755200000000, -0.0001591900000000 ] - [ -0.0003545600000000, 0.0000748100000000, -0.0006626500000000 ] - [ 0.0000037400000000, 0.0002014700000000, 0.0000113700000000 ] - [ 0.0002940100000000, 0.0007907900000000, -0.0002150600000000 ] - [ -0.0001092500000000, -0.0000419200000000, 0.0001044600000000 ] - [ -0.0008534200000000, -0.0008594800000000, 0.0006911100000000 ] - [ 0.0000554900000000, -0.0001484500000000, -0.0000046900000000 ] - [ -0.0002198100000000, 0.0001960300000000, 0.0001957400000000 ] - [ 0.0001100600000000, 0.0002449100000000, 0.0000868200000000 ] - [ -0.0009674200000000, 0.0006400900000000, -0.0003075200000000 ] - [ -0.0002740400000000, -0.0000037900000000, 0.0000793600000000 ] - [ 0.0008676300000000, -0.0008938500000000, -0.0002254200000000 ] - [ 0.0001627000000000, -0.0002061700000000, 0.0000549700000000 ] - [ 0.0002113300000000, -0.0004396100000000, -0.0003411300000000 ] - [ -0.0001110100000000, -0.0000936300000000, -0.0001469700000000 ] - [ -0.0000242000000000, -0.0003970800000000, -0.0000796900000000 ] - [ 0.0001313300000000, -0.0000484800000000, -0.0001210000000000 ] - [ -0.0005527900000000, -0.0001859300000000, -0.0008389500000000 ] - [ -0.0000178800000000, 0.0001528500000000, -0.0001052800000000 ] - [ 0.0016404200000000, 0.0002477900000000, -0.0002971600000000 ] - [ 0.0000358500000000, 0.0001294100000000, -0.0002035300000000 ] - [ -0.0004795800000000, -0.0002338700000000, -0.0003429700000000 ] - [ -0.0000974100000000, -0.0000924900000000, -0.0001285600000000 ] - [ -0.0004019200000000, -0.0005931800000000, -0.0001822300000000 ] - [ 0.0000558000000000, -0.0000800100000000, -0.0001309700000000 ] - [ -0.0007429900000000, 0.0015350500000000, -0.0001213900000000 ] - [ -0.0000857400000000, 0.0004203900000000, -0.0000289800000000 ] - [ -0.0007124300000000, -0.0009761500000000, -0.0012709600000000 ] - [ -0.0002862400000000, -0.0002214600000000, 0.0000147500000000 ] - [ 0.0013633100000000, -0.0001391100000000, 0.0001542400000000 ] - [ 0.0003286800000000, -0.0001619700000000, -0.0000883300000000 ] - [ -0.0084316000000000, 0.0002786400000000, -0.0011685400000000 ] - [ -0.0003059300000000, -0.0001472000000000, 0.0001372600000000 ] - [ 0.0025329100000000, -0.0003457600000000, 0.0000424900000000 ] - [ 0.0002969000000000, -0.0001879400000000, 0.0001171900000000 ] - [ 0.0063666100000000, -0.0019410400000000, 0.0011805900000000 ] - [ 0.0000149500000000, 0.0003252000000000, 0.0001016000000000 ] - [ -0.0483150700000000, 0.0023948800000000, 0.0115369900000000 ] - [ -0.0000077000000000, -0.0000469900000000, 0.0000032700000000 ] - [ -0.0031961000000000, 0.0013470400000000, -0.0004716800000000 ] - [ 0.0000254200000000, 0.0000360700000000, 0.0000261100000000 ] - [ -0.0017740300000000, -0.0038077600000000, -0.0002625800000000 ] - [ -0.0000492000000000, 0.0000046400000000, 0.0000156700000000 ] - [ 0.1317073700000000, 0.0723759300000000, 0.0515420800000000 ] - [ -0.0002414800000000, -0.0001287100000000, -0.0000612100000000 ] - [ -0.0184680100000000, -0.0074782700000000, -0.0024176100000000 ] - [ 0.0002800400000000, -0.0001392600000000, -0.0001623000000000 ] - [ 0.0052900700000000, -0.0062338900000000, 0.0065765300000000 ] - [ -0.0000119200000000, 0.0003060300000000, -0.0001436800000000 ] - [ 0.0076410600000000, 0.0012766200000000, 0.0023783300000000 ] - [ -0.0001517200000000, -0.0000234000000000, 0.0001148400000000 ] - [ -0.0010646900000000, -0.0005640400000000, 0.0032995400000000 ] - [ 0.0000602300000000, -0.0000761300000000, -0.0001367100000000 ] - [ 0.0014020600000000, 0.0001385000000000, 0.0029515800000000 ] - [ 0.0002325000000000, 0.0002439900000000, -0.0000844800000000 ] - [ -0.0000891600000000, 0.0003122100000000, 0.0006787100000000 ] - [ -0.0000379700000000, -0.0000221000000000, -0.0000149900000000 ] - [ -0.0002411700000000, -0.0009068100000000, 0.0001758500000000 ] - [ -0.0000093900000000, -0.0001387200000000, -0.0000504500000000 ] - [ -0.0001223500000000, 0.0011766400000000, -0.0010656000000000 ] - [ 0.0000745000000000, 0.0000895000000000, 0.0000494400000000 ] - [ -0.0014392800000000, -0.0015239000000000, -0.0013915600000000 ] - [ -0.0003679600000000, -0.0004011300000000, -0.0001867300000000 ] - [ 0.0006773300000000, -0.0002930700000000, -0.0009915100000000 ] - [ 0.0002192900000000, -0.0003082700000000, 0.0006947700000000 ] - [ -0.0011245000000000, 0.0008681500000000, -0.0006314400000000 ] - [ -0.0000569100000000, 0.0003835800000000, 0.0003673900000000 ] - [ -0.0000101700000000, -0.0010215500000000, 0.0001513600000000 ] - [ -0.0001757600000000, -0.0003165200000000, -0.0002479900000000 ] - [ 0.0006539800000000, -0.0007392700000000, 0.0022350100000000 ] - [ 0.0003869600000000, -0.0000435100000000, -0.0002595900000000 ] - [ -0.0014869400000000, 0.0004731800000000, 0.0016585400000000 ] - [ -0.0001519300000000, 0.0003691500000000, -0.0001288500000000 ] - [ -0.0010368300000000, -0.0019199900000000, -0.0025862400000000 ] - [ -0.0000134000000000, -0.0002729300000000, 0.0003174200000000 ] - [ 0.0021530300000000, 0.0011701100000000, -0.0005891300000000 ] - [ 0.0002596500000000, 0.0001167800000000, 0.0001290200000000 ] - [ -0.0005064100000000, 0.0010576200000000, -0.0008251000000000 ] - [ -0.0000038000000000, 0.0002340500000000, 0.0001894000000000 ] - [ -0.0014406400000000, 0.0000323700000000, 0.0000756700000000 ] - [ -0.0003656000000000, -0.0001955300000000, -0.0000108800000000 ] - [ 0.0004908700000000, 0.0000667000000000, 0.0001128500000000 ] - [ 0.0002488300000000, -0.0002018000000000, -0.0000319800000000 ] - [ 0.0008080800000000, 0.0002144600000000, 0.0006746700000000 ] - [ 0.0000460100000000, 0.0004003400000000, -0.0001308400000000 ] - [ -0.0006361900000000, -0.0003717400000000, -0.0004427500000000 ] - [ -0.0006801500000000, -0.0006894900000000, 0.0015360600000000 ] - [ 0.0036134900000000, 0.0058888600000000, -0.0035828500000000 ] - [ 0.0000253200000000, -0.0000128700000000, 0.0005368900000000 ] - [ 0.0000072900000000, -0.0005016500000000, 0.0003588000000000 ] - [ 0.0000321800000000, -0.0000074000000000, 0.0006571000000000 ] - [ -0.0884892600000000, -0.0646367000000000, -0.0588266000000000 ] - [ -0.0000470800000000, -0.0000367200000000, -0.0002128500000000 ] - [ 0.0031847700000000, 0.0020744600000000, 0.0038768400000000 ] - [ 0.0002260600000000, 0.0001650600000000, -0.0001742800000000 ] - [ 0.0002574100000000, 0.0003142700000000, -0.0004514100000000 ] - [ 0.0001208000000000, -0.0000375000000000, -0.0000479900000000 ]- atom: 85 displacement: [ -0.0049999999944369, 0.0086602540410562, 0.0000000000000000 ] forces: - [ 0.0008628500000000, 0.0005745800000000, 0.0002077700000000 ] - [ 0.0000187900000000, 0.0001585900000000, 0.0000175700000000 ] - [ 0.0026083000000000, -0.0023809900000000, -0.0004407300000000 ] - [ -0.0001529200000000, -0.0000531500000000, 0.0000227200000000 ] - [ -0.0055139000000000, -0.0204937000000000, 0.0012062600000000 ] - [ 0.0001275200000000, -0.0000950200000000, 0.0000205600000000 ] - [ -0.0051231900000000, 0.0086105400000000, -0.0079255200000000 ] - [ -0.0001012200000000, -0.0001374900000000, -0.0003805500000000 ] - [ 0.0003022800000000, -0.0000972400000000, 0.0010720000000000 ] - [ 0.0001760600000000, -0.0000076700000000, -0.0004302800000000 ] - [ -0.0003331800000000, -0.0011955700000000, 0.0025474500000000 ] - [ -0.0000717900000000, 0.0001536500000000, -0.0004185300000000 ] - [ 0.0086867100000000, 0.0104225600000000, -0.0016698500000000 ] - [ -0.0000551300000000, 0.0001026100000000, -0.0001756300000000 ] - [ 0.0008410200000000, 0.0006658500000000, -0.0001025600000000 ] - [ -0.0000549600000000, -0.0001043400000000, -0.0001717300000000 ] - [ -0.0031639900000000, -0.0052776100000000, -0.0021140700000000 ] - [ 0.0001169300000000, -0.0000005600000000, -0.0001592500000000 ] - [ 0.0023251000000000, -0.0034899100000000, 0.0005862300000000 ] - [ 0.0000225200000000, 0.0002055800000000, -0.0000557600000000 ] - [ 0.0004162400000000, -0.0004438200000000, 0.0000416000000000 ] - [ -0.0001860100000000, -0.0000773300000000, -0.0000609100000000 ] - [ -0.0072874900000000, -0.0006980400000000, 0.0008878900000000 ] - [ 0.0001532400000000, -0.0001313100000000, -0.0000654000000000 ] - [ -0.0017442600000000, -0.0007565000000000, -0.0000900100000000 ] - [ 0.0000291000000000, 0.0002336500000000, 0.0000612400000000 ] - [ -0.0001691300000000, -0.0000471200000000, 0.0001004800000000 ] - [ -0.0002279400000000, -0.0000778000000000, 0.0000009700000000 ] - [ 0.0002644800000000, -0.0009730700000000, 0.0000601900000000 ] - [ 0.0001749500000000, -0.0001463000000000, 0.0000077100000000 ] - [ -0.0000814600000000, -0.0001261600000000, -0.0005051100000000 ] - [ -0.0001846000000000, -0.0001293100000000, -0.0000441800000000 ] - [ 0.0001907700000000, -0.0001040200000000, -0.0001976800000000 ] - [ 0.0000934200000000, -0.0000708300000000, -0.0003960700000000 ] - [ -0.0002299900000000, 0.0001602600000000, -0.0006827800000000 ] - [ -0.0000098500000000, 0.0001483800000000, 0.0000221100000000 ] - [ 0.0013323300000000, -0.0000109100000000, -0.0002751500000000 ] - [ 0.0000478500000000, 0.0001302400000000, -0.0001824000000000 ] - [ -0.0004863200000000, -0.0000880400000000, -0.0005472200000000 ] - [ -0.0001129100000000, -0.0000709800000000, -0.0001658200000000 ] - [ 0.0004062000000000, 0.0002475800000000, 0.0002992000000000 ] - [ 0.0000600200000000, -0.0001455100000000, -0.0001742800000000 ] - [ 0.0008057500000000, -0.0004684300000000, -0.0012101800000000 ] - [ 0.0000053700000000, 0.0003316800000000, -0.0000589600000000 ] - [ -0.0005459800000000, -0.0007266900000000, 0.0001115500000000 ] - [ -0.0002889600000000, -0.0001863000000000, -0.0000910600000000 ] - [ 0.0006353700000000, -0.0004421700000000, 0.0008126800000000 ] - [ 0.0003410500000000, -0.0001349500000000, -0.0000869000000000 ] - [ 0.0004388900000000, 0.0002631300000000, 0.0000060100000000 ] - [ 0.0001394100000000, 0.0002092100000000, 0.0000755900000000 ] - [ -0.0010651500000000, 0.0003263300000000, 0.0008078100000000 ] - [ -0.0001966100000000, -0.0000889700000000, -0.0000263500000000 ] - [ 0.0003119300000000, -0.0009395200000000, -0.0001100700000000 ] - [ 0.0001368200000000, -0.0001937800000000, 0.0000541100000000 ] - [ 0.0000178800000000, -0.0011058400000000, 0.0000574000000000 ] - [ -0.0000855300000000, -0.0001247500000000, -0.0003628700000000 ] - [ 0.0006697600000000, -0.0004842200000000, -0.0006771600000000 ] - [ 0.0001499100000000, -0.0000197700000000, -0.0003446800000000 ] - [ 0.0018060400000000, 0.0005465000000000, 0.0082028900000000 ] - [ -0.0000657400000000, 0.0001595400000000, -0.0003864800000000 ] - [ -0.0009758800000000, -0.0000319000000000, -0.0000874200000000 ] - [ -0.0001764600000000, 0.0000914000000000, -0.0001546200000000 ] - [ 0.0002049300000000, -0.0007177200000000, -0.0003383000000000 ] - [ -0.0000730200000000, 0.0000019300000000, -0.0000350000000000 ] - [ 0.0010291400000000, 0.0014076800000000, 0.0004157200000000 ] - [ 0.0001431300000000, -0.0000636300000000, -0.0003447600000000 ] - [ 0.0001768000000000, -0.0001099000000000, -0.0000869600000000 ] - [ -0.0000224800000000, 0.0002194600000000, -0.0000073800000000 ] - [ -0.0002300200000000, 0.0004118000000000, -0.0003228300000000 ] - [ -0.0002930400000000, -0.0000442300000000, -0.0001825200000000 ] - [ 0.0000519200000000, -0.0001009600000000, -0.0000634900000000 ] - [ 0.0003965300000000, -0.0000869100000000, -0.0000080600000000 ] - [ -0.0024805600000000, 0.0030244500000000, -0.0002398700000000 ] - [ -0.0002766800000000, -0.0001219500000000, 0.0003444900000000 ] - [ -0.0029342900000000, 0.0018559600000000, 0.0007966100000000 ] - [ 0.0002509800000000, -0.0001893800000000, 0.0003241300000000 ] - [ 0.0009086600000000, 0.0440344200000000, -0.0084611200000000 ] - [ 0.0000417300000000, 0.0002957900000000, 0.0003521200000000 ] - [ -0.0220141800000000, -0.0045530000000000, 0.0053077900000000 ] - [ -0.0000195400000000, -0.0000454300000000, 0.0001782100000000 ] - [ -0.0009971100000000, -0.0008706700000000, -0.0000919400000000 ] - [ 0.0000418000000000, 0.0000036500000000, 0.0001630000000000 ] - [ 0.0064651300000000, 0.0033914800000000, 0.0005759900000000 ] - [ -0.0000066100000000, 0.0000589200000000, 0.0001734600000000 ] - [ 0.0040205300000000, -0.0785066900000000, -0.0274487200000000 ] - [ -0.0002910900000000, -0.0001570600000000, 0.0001381900000000 ] - [ -0.0027633800000000, -0.0080436200000000, -0.0073810600000000 ] - [ 0.0002544200000000, -0.0001681200000000, 0.0001846200000000 ] - [ 0.0082391700000000, 0.0133633100000000, 0.0059496900000000 ] - [ 0.0000168400000000, 0.0002931200000000, 0.0001799400000000 ] - [ 0.0017618500000000, -0.0033758100000000, 0.0130877200000000 ] - [ -0.0002909300000000, -0.0002092400000000, 0.0004357300000000 ] - [ 0.0002793300000000, 0.0000726100000000, -0.0010047300000000 ] - [ 0.0003010200000000, -0.0001453900000000, 0.0005066300000000 ] - [ 0.0000259000000000, 0.0010723200000000, -0.0014499500000000 ] - [ -0.0000628600000000, 0.0003138000000000, 0.0005010200000000 ] - [ -0.0017920300000000, 0.0009190000000000, 0.0015602800000000 ] - [ -0.0000889100000000, -0.0001430400000000, 0.0000653900000000 ] - [ 0.0007075100000000, 0.0010372700000000, 0.0010426400000000 ] - [ 0.0001742400000000, 0.0000295400000000, 0.0000975600000000 ] - [ -0.0010460300000000, 0.0008704700000000, -0.0008777300000000 ] - [ -0.0001575000000000, 0.0002110800000000, -0.0000613800000000 ] - [ -0.0010427600000000, 0.0001235800000000, -0.0004876000000000 ] - [ -0.0003000900000000, -0.0001318200000000, 0.0002760300000000 ] - [ 0.0022302600000000, 0.0000208700000000, -0.0002147300000000 ] - [ 0.0003562600000000, -0.0001821400000000, 0.0000642300000000 ] - [ 0.0000118800000000, -0.0000269700000000, -0.0002404000000000 ] - [ 0.0001100000000000, 0.0003269000000000, 0.0003982700000000 ] - [ -0.0005400600000000, -0.0000898700000000, 0.0004003100000000 ] - [ -0.0002514300000000, -0.0001459200000000, 0.0000335700000000 ] - [ 0.0010003700000000, -0.0007078600000000, 0.0002018100000000 ] - [ 0.0003464900000000, -0.0001204100000000, 0.0003446700000000 ] - [ -0.0001958600000000, 0.0006537500000000, 0.0009737800000000 ] - [ -0.0001085500000000, 0.0003245700000000, 0.0000307600000000 ] - [ 0.0004387500000000, 0.0006392600000000, 0.0011490600000000 ] - [ 0.0001113600000000, -0.0000851000000000, 0.0000236900000000 ] - [ 0.0000328600000000, 0.0001955900000000, 0.0004064800000000 ] - [ 0.0002143400000000, -0.0004123700000000, 0.0003522100000000 ] - [ -0.0000252200000000, -0.0017652800000000, 0.0016259500000000 ] - [ -0.0003909200000000, -0.0000524600000000, 0.0004825200000000 ] - [ 0.0003310400000000, 0.0009110900000000, 0.0000795600000000 ] - [ -0.0001150800000000, -0.0000298300000000, 0.0002592200000000 ] - [ -0.0008545600000000, 0.0004866500000000, 0.0007507300000000 ] - [ 0.0001161200000000, -0.0001894100000000, 0.0001902500000000 ] - [ -0.0011506200000000, 0.0008737900000000, -0.0051921000000000 ] - [ -0.0000238800000000, 0.0005169100000000, 0.0001276800000000 ] - [ 0.0004066400000000, 0.0018885800000000, 0.0003124900000000 ] - [ 0.0001243100000000, 0.0000778900000000, -0.0004595600000000 ] - [ 0.0003256700000000, 0.0025312200000000, -0.0013315000000000 ] - [ -0.0000852900000000, -0.0000230400000000, 0.0001845300000000 ] - [ 0.0034688300000000, -0.0052809600000000, -0.0029110600000000 ] - [ -0.0000097800000000, 0.0000119900000000, 0.0004371200000000 ] - [ 0.0098863700000000, 0.0445329100000000, 0.0211086100000000 ] - [ 0.0000209600000000, 0.0000544400000000, -0.0005657000000000 ] - [ -0.0011143800000000, 0.0011313100000000, 0.0019817900000000 ] - [ -0.0001073600000000, 0.0000455300000000, -0.0005606600000000 ] - [ 0.0009590800000000, -0.0021792000000000, 0.0002463600000000 ] - [ 0.0001486600000000, -0.0005237500000000, -0.0007152700000000 ]- atom: 85 displacement: [ 0.0049999999944369, -0.0086602540410562, 0.0000000000000000 ] forces: - [ -0.0008045400000000, -0.0002470100000000, -0.0001151600000000 ] - [ 0.0000692300000000, 0.0001947200000000, 0.0000739000000000 ] - [ -0.0029517900000000, 0.0022945600000000, 0.0005261000000000 ] - [ -0.0002099500000000, -0.0000377900000000, 0.0000691800000000 ] - [ 0.0056145000000000, 0.0202841700000000, -0.0011146900000000 ] - [ 0.0001309100000000, -0.0001565000000000, 0.0000698100000000 ] - [ 0.0049109500000000, -0.0086979000000000, 0.0075704000000000 ] - [ -0.0001090200000000, -0.0000715700000000, -0.0000872100000000 ] - [ -0.0000275200000000, 0.0000146700000000, -0.0015203800000000 ] - [ 0.0001079000000000, -0.0000667800000000, -0.0000400200000000 ] - [ 0.0002610100000000, 0.0014835400000000, -0.0030008200000000 ] - [ -0.0000072300000000, 0.0001325300000000, -0.0000526400000000 ] - [ -0.0086534000000000, -0.0102610000000000, 0.0012972800000000 ] - [ -0.0000653500000000, 0.0001093200000000, -0.0001175200000000 ] - [ -0.0009613600000000, -0.0008543500000000, -0.0001946400000000 ] - [ -0.0000626700000000, -0.0001145100000000, -0.0001179600000000 ] - [ 0.0034074800000000, 0.0052758400000000, 0.0018320900000000 ] - [ 0.0001299200000000, 0.0000038900000000, -0.0001324400000000 ] - [ -0.0022999800000000, 0.0039259800000000, -0.0006632800000000 ] - [ 0.0000166600000000, 0.0002443800000000, -0.0000250600000000 ] - [ -0.0008148000000000, 0.0002590400000000, -0.0001208900000000 ] - [ -0.0002230900000000, -0.0001114100000000, -0.0000193700000000 ] - [ 0.0075848200000000, 0.0004409500000000, -0.0009613900000000 ] - [ 0.0002169700000000, -0.0001274800000000, -0.0000150600000000 ] - [ 0.0018708800000000, 0.0011302800000000, 0.0001786500000000 ] - [ 0.0000602100000000, 0.0001230800000000, 0.0000387000000000 ] - [ -0.0002003400000000, -0.0000430500000000, -0.0000004300000000 ] - [ -0.0001360600000000, -0.0000151500000000, 0.0000986700000000 ] - [ -0.0000046500000000, 0.0007129600000000, 0.0000390000000000 ] - [ 0.0000867900000000, -0.0001088100000000, 0.0000896900000000 ] - [ -0.0001358100000000, -0.0000787500000000, 0.0000223000000000 ] - [ -0.0000333000000000, -0.0000748600000000, -0.0004396200000000 ] - [ 0.0000903000000000, 0.0000188900000000, -0.0002799500000000 ] - [ 0.0001906400000000, -0.0000109500000000, -0.0000893300000000 ] - [ 0.0001586700000000, 0.0001301400000000, 0.0001987300000000 ] - [ -0.0000621500000000, 0.0001421700000000, -0.0005104800000000 ] - [ -0.0014535000000000, 0.0002159300000000, -0.0000163400000000 ] - [ -0.0001711200000000, 0.0000761000000000, -0.0001086400000000 ] - [ 0.0003708400000000, -0.0001232900000000, 0.0002527600000000 ] - [ -0.0000017400000000, -0.0001441800000000, -0.0001234500000000 ] - [ -0.0001663600000000, -0.0002424000000000, -0.0005914100000000 ] - [ 0.0001816700000000, 0.0001521000000000, -0.0001156200000000 ] - [ -0.0007800500000000, 0.0009555400000000, 0.0011161400000000 ] - [ 0.0000381600000000, 0.0001328300000000, -0.0000190700000000 ] - [ 0.0001200700000000, 0.0005248400000000, -0.0001899400000000 ] - [ -0.0001359200000000, -0.0000072700000000, 0.0000116800000000 ] - [ -0.0002508300000000, 0.0001759100000000, -0.0008978800000000 ] - [ 0.0000415900000000, -0.0001338800000000, 0.0000088600000000 ] - [ -0.0003506900000000, 0.0000818300000000, 0.0000893700000000 ] - [ -0.0000589800000000, 0.0001329800000000, 0.0000178700000000 ] - [ 0.0007143200000000, -0.0004161500000000, -0.0007098200000000 ] - [ -0.0001498500000000, -0.0000037500000000, 0.0001204600000000 ] - [ -0.0000605800000000, 0.0006948800000000, 0.0002030400000000 ] - [ 0.0001160500000000, -0.0000469400000000, 0.0000386800000000 ] - [ -0.0002326100000000, 0.0008856600000000, -0.0005178100000000 ] - [ -0.0001288400000000, -0.0000848700000000, -0.0001018100000000 ] - [ -0.0003808800000000, 0.0004063100000000, 0.0002191800000000 ] - [ 0.0001356200000000, -0.0000574300000000, -0.0001212200000000 ] - [ -0.0018721200000000, -0.0002478000000000, -0.0086071700000000 ] - [ -0.0000118700000000, 0.0001303200000000, -0.0000814500000000 ] - [ 0.0008108200000000, 0.0002372900000000, -0.0002038100000000 ] - [ 0.0000351000000000, 0.0001146800000000, -0.0001431200000000 ] - [ -0.0003078600000000, 0.0004876300000000, 0.0000449400000000 ] - [ -0.0000339300000000, -0.0002296700000000, -0.0002616500000000 ] - [ -0.0007721600000000, -0.0013760400000000, -0.0007055400000000 ] - [ 0.0001057700000000, 0.0000860000000000, 0.0000499800000000 ] - [ -0.0001272900000000, 0.0005587700000000, 0.0000191800000000 ] - [ 0.0000615200000000, 0.0002455800000000, -0.0000652500000000 ] - [ -0.0001915100000000, -0.0006052200000000, 0.0002538200000000 ] - [ -0.0001275800000000, -0.0001521900000000, 0.0001122000000000 ] - [ 0.0003289600000000, -0.0001637300000000, -0.0000079900000000 ] - [ -0.0000140000000000, -0.0001789800000000, -0.0000644900000000 ] - [ 0.0019370300000000, -0.0032851400000000, 0.0007011500000000 ] - [ -0.0002824300000000, -0.0001788600000000, 0.0001154600000000 ] - [ 0.0034689300000000, -0.0022001000000000, -0.0003404400000000 ] - [ 0.0003062800000000, -0.0001561300000000, 0.0001304200000000 ] - [ -0.0008191700000000, -0.0423499900000000, 0.0087491700000000 ] - [ -0.0000161400000000, 0.0003376300000000, 0.0001060900000000 ] - [ 0.0221319500000000, 0.0045347900000000, -0.0051795600000000 ] - [ -0.0000419600000000, -0.0000913300000000, -0.0000001000000000 ] - [ 0.0011420900000000, 0.0008760900000000, 0.0002766600000000 ] - [ 0.0001020200000000, 0.0000215300000000, 0.0000174000000000 ] - [ -0.0065157100000000, -0.0032837900000000, -0.0004035000000000 ] - [ -0.0000900600000000, 0.0000580600000000, 0.0000095000000000 ] - [ -0.0046589000000000, 0.0767039400000000, 0.0277305500000000 ] - [ -0.0002851800000000, -0.0001613100000000, -0.0001078100000000 ] - [ 0.0033479700000000, 0.0076515800000000, 0.0074315500000000 ] - [ 0.0003120700000000, -0.0001751600000000, -0.0001553700000000 ] - [ -0.0084106300000000, -0.0128649300000000, -0.0059802100000000 ] - [ -0.0000060900000000, 0.0003681100000000, -0.0001504700000000 ] - [ -0.0022838900000000, 0.0030317200000000, -0.0127406100000000 ] - [ -0.0002577100000000, -0.0000295500000000, 0.0000552000000000 ] - [ 0.0002260400000000, -0.0004287800000000, 0.0014796400000000 ] - [ 0.0001935900000000, -0.0002201200000000, -0.0000186400000000 ] - [ 0.0000382500000000, -0.0004760000000000, 0.0019270300000000 ] - [ 0.0001326900000000, 0.0002782000000000, -0.0000106300000000 ] - [ 0.0017571200000000, -0.0010229300000000, -0.0013876500000000 ] - [ 0.0000513100000000, 0.0000506400000000, 0.0000861200000000 ] - [ -0.0006096900000000, -0.0010094500000000, -0.0008710300000000 ] - [ -0.0000772200000000, -0.0000091000000000, 0.0000586500000000 ] - [ 0.0009780700000000, -0.0007969600000000, 0.0010466100000000 ] - [ 0.0000864100000000, -0.0001347700000000, 0.0002167700000000 ] - [ 0.0005040700000000, -0.0004630400000000, 0.0006084900000000 ] - [ -0.0002364600000000, -0.0002093400000000, -0.0001602500000000 ] - [ -0.0016743300000000, -0.0003286500000000, 0.0003369600000000 ] - [ 0.0002158100000000, -0.0001136800000000, 0.0000456000000000 ] - [ -0.0000345200000000, 0.0006631200000000, 0.0003606100000000 ] - [ -0.0001370700000000, 0.0003119300000000, -0.0002844900000000 ] - [ 0.0000150400000000, -0.0001936000000000, -0.0000408800000000 ] - [ -0.0002649400000000, -0.0001422100000000, 0.0003298600000000 ] - [ -0.0004783800000000, 0.0003957300000000, 0.0001479400000000 ] - [ 0.0001725900000000, -0.0001912900000000, 0.0000134600000000 ] - [ 0.0002114000000000, -0.0000609200000000, -0.0006156400000000 ] - [ 0.0001233600000000, 0.0002653800000000, 0.0003319700000000 ] - [ -0.0004699600000000, -0.0007378200000000, -0.0008773200000000 ] - [ -0.0001579700000000, -0.0000377000000000, 0.0002178900000000 ] - [ 0.0000819000000000, -0.0001758300000000, -0.0001577000000000 ] - [ -0.0000870000000000, 0.0004391200000000, -0.0001091800000000 ] - [ -0.0000653500000000, 0.0018477400000000, -0.0013751000000000 ] - [ 0.0003048700000000, 0.0001538800000000, -0.0002407500000000 ] - [ -0.0008466100000000, -0.0012485000000000, 0.0000049900000000 ] - [ -0.0004142400000000, -0.0003168800000000, -0.0001699500000000 ] - [ 0.0014150400000000, -0.0007704500000000, -0.0006694700000000 ] - [ 0.0004480300000000, -0.0000959600000000, -0.0001012100000000 ] - [ 0.0011039800000000, -0.0002386700000000, 0.0052333300000000 ] - [ -0.0000131100000000, 0.0001141000000000, -0.0000406000000000 ] - [ -0.0004115500000000, -0.0019052800000000, 0.0003318400000000 ] - [ -0.0001151900000000, -0.0000649500000000, 0.0010767900000000 ] - [ -0.0003387500000000, -0.0025245400000000, 0.0019483700000000 ] - [ 0.0000795900000000, 0.0000274000000000, 0.0004235300000000 ] - [ -0.0034331300000000, 0.0052435900000000, 0.0038675200000000 ] - [ 0.0000228500000000, -0.0000161300000000, 0.0005673400000000 ] - [ -0.0098764400000000, -0.0440445800000000, -0.0216596500000000 ] - [ -0.0000240800000000, -0.0000556200000000, -0.0000422200000000 ] - [ 0.0011048500000000, -0.0011280300000000, -0.0026267200000000 ] - [ 0.0001003700000000, -0.0000451000000000, -0.0000621700000000 ] - [ -0.0009583400000000, 0.0021594300000000, -0.0008673700000000 ] - [ -0.0001483400000000, 0.0005248100000000, 0.0000713700000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015916400000000, -0.0006449700000000, 0.0002342000000000 ] - [ -0.0000425400000000, 0.0001608300000000, -0.0002067500000000 ] - [ 0.0023493000000000, -0.0009906900000000, -0.0000242400000000 ] - [ -0.0001070000000000, -0.0001093900000000, -0.0002024800000000 ] - [ 0.0019714800000000, -0.0089546900000000, 0.0123209800000000 ] - [ 0.0001526400000000, -0.0000035000000000, -0.0002172900000000 ] - [ 0.0024974700000000, -0.0088477400000000, -0.0271452000000000 ] - [ -0.0000078600000000, -0.0003430900000000, -0.0016965800000000 ] - [ 0.0012375900000000, -0.0007250300000000, 0.0054707800000000 ] - [ 0.0003382500000000, 0.0001736500000000, -0.0017961900000000 ] - [ 0.0013823000000000, 0.0025415200000000, 0.0058621000000000 ] - [ -0.0003310700000000, 0.0001800300000000, -0.0017931000000000 ] - [ 0.0004113800000000, 0.0015541900000000, 0.0129206700000000 ] - [ -0.0000100500000000, 0.0000896200000000, -0.0004458400000000 ] - [ -0.0010790300000000, 0.0019253200000000, -0.0004186800000000 ] - [ -0.0000543100000000, -0.0000619600000000, -0.0004220100000000 ] - [ -0.0006257700000000, -0.0020252700000000, -0.0002171800000000 ] - [ 0.0000817800000000, -0.0000407400000000, -0.0003781000000000 ] - [ -0.0008354000000000, -0.0004581600000000, 0.0003781400000000 ] - [ 0.0000074600000000, 0.0001969200000000, -0.0003141000000000 ] - [ 0.0000196000000000, -0.0001351700000000, 0.0005545600000000 ] - [ -0.0001520900000000, -0.0000624700000000, -0.0003224200000000 ] - [ -0.0009511700000000, -0.0005881100000000, 0.0008359700000000 ] - [ 0.0000926000000000, -0.0001372600000000, -0.0003366200000000 ] - [ -0.0084738200000000, -0.0049819000000000, 0.0000076800000000 ] - [ -0.0000168900000000, 0.0002283000000000, -0.0001800200000000 ] - [ -0.0005470300000000, 0.0001339600000000, 0.0002620000000000 ] - [ -0.0003009200000000, -0.0000572800000000, -0.0001607900000000 ] - [ 0.0000623800000000, -0.0001422800000000, 0.0001179000000000 ] - [ 0.0002894800000000, -0.0002321100000000, -0.0002393500000000 ] - [ 0.0000642900000000, -0.0002856100000000, -0.0012737300000000 ] - [ -0.0001766800000000, -0.0002352500000000, -0.0006981000000000 ] - [ 0.0001447500000000, 0.0000277600000000, -0.0014825300000000 ] - [ -0.0001189700000000, -0.0002227900000000, -0.0012436500000000 ] - [ -0.0001529200000000, 0.0001026600000000, -0.0011347800000000 ] - [ -0.0001532400000000, 0.0002404500000000, -0.0004559600000000 ] - [ 0.0011159200000000, 0.0003656200000000, -0.0001977100000000 ] - [ 0.0000380300000000, 0.0001152500000000, -0.0003984900000000 ] - [ 0.0001712500000000, -0.0015012200000000, 0.0001742900000000 ] - [ -0.0001210400000000, -0.0001153000000000, -0.0004429900000000 ] - [ -0.0004905300000000, 0.0001374800000000, -0.0001693100000000 ] - [ 0.0000887800000000, -0.0000555800000000, -0.0003926000000000 ] - [ 0.0051616200000000, -0.0057989000000000, 0.0008650000000000 ] - [ -0.0000047600000000, 0.0003058900000000, -0.0003459600000000 ] - [ -0.0003701400000000, -0.0002016500000000, 0.0003109500000000 ] - [ -0.0003188300000000, -0.0001417700000000, -0.0004624500000000 ] - [ 0.0000716600000000, 0.0008652400000000, -0.0002948100000000 ] - [ 0.0003486800000000, -0.0001328100000000, -0.0003515100000000 ] - [ 0.0002845900000000, 0.0000455100000000, 0.0000959800000000 ] - [ 0.0001030700000000, 0.0002070200000000, -0.0001259900000000 ] - [ -0.0002305200000000, 0.0005675400000000, -0.0002343200000000 ] - [ -0.0001334700000000, -0.0003610100000000, -0.0004460600000000 ] - [ -0.0001197800000000, 0.0000082000000000, 0.0000480900000000 ] - [ 0.0001485900000000, -0.0000660600000000, -0.0001195300000000 ] - [ -0.0002583000000000, -0.0000415700000000, 0.0007894900000000 ] - [ -0.0000183100000000, -0.0003108700000000, -0.0014395400000000 ] - [ 0.0000361800000000, -0.0002197900000000, 0.0008164800000000 ] - [ 0.0002967100000000, 0.0001207500000000, -0.0014811100000000 ] - [ 0.0003562700000000, 0.0018661500000000, 0.0022133600000000 ] - [ -0.0003067900000000, 0.0001933800000000, -0.0016902900000000 ] - [ -0.0025585500000000, -0.0001305300000000, -0.0000622700000000 ] - [ -0.0000545300000000, 0.0000536700000000, -0.0002466200000000 ] - [ 0.0007278300000000, -0.0009763100000000, -0.0002098400000000 ] - [ -0.0003541600000000, 0.0006937200000000, -0.0002407800000000 ] - [ 0.0005187400000000, 0.0009808100000000, -0.0001608600000000 ] - [ 0.0001669000000000, -0.0005122400000000, -0.0011087400000000 ] - [ 0.0012076100000000, -0.0016271300000000, 0.0001477000000000 ] - [ -0.0000340500000000, 0.0001851100000000, -0.0002236000000000 ] - [ 0.0003106000000000, 0.0004740900000000, -0.0005610100000000 ] - [ -0.0005962700000000, -0.0001471600000000, -0.0008835800000000 ] - [ -0.0008061600000000, 0.0000392900000000, -0.0002132000000000 ] - [ 0.0009402400000000, 0.0000509500000000, -0.0000190300000000 ] - [ 0.0005231200000000, 0.0007103000000000, -0.0010726800000000 ] - [ -0.0002926900000000, -0.0000677100000000, 0.0014312600000000 ] - [ -0.0015245500000000, 0.0006163500000000, -0.0011106000000000 ] - [ 0.0001872200000000, -0.0002312400000000, 0.0014407200000000 ] - [ -0.0001843600000000, 0.0022667900000000, -0.0086553400000000 ] - [ 0.0001524400000000, 0.0002776000000000, 0.0015942100000000 ] - [ -0.0063848500000000, 0.0001945900000000, -0.0057314100000000 ] - [ 0.0000200900000000, 0.0000226600000000, 0.0010945800000000 ] - [ 0.0010480200000000, -0.0012679300000000, -0.0011454200000000 ] - [ -0.0000625600000000, -0.0000263200000000, 0.0010492700000000 ] - [ 0.0009271200000000, 0.0014500200000000, -0.0013315500000000 ] - [ 0.0000991000000000, 0.0000566900000000, 0.0010471400000000 ] - [ -0.0493883800000000, -0.0600652100000000, -0.1128022000000000 ] - [ -0.0002112200000000, 0.0000276000000000, 0.0013660200000000 ] - [ 0.0008527100000000, -0.0073423700000000, -0.0154148400000000 ] - [ -0.0000416300000000, -0.0001756000000000, 0.0015020400000000 ] - [ -0.0073548100000000, 0.0018464500000000, -0.0154150600000000 ] - [ 0.0001760400000000, 0.0000270400000000, 0.0015019400000000 ] - [ -0.0062294900000000, 0.0137721600000000, 0.0572147000000000 ] - [ -0.0003313900000000, -0.0001616600000000, 0.0017180300000000 ] - [ -0.0007905600000000, -0.0003145300000000, -0.0039502200000000 ] - [ 0.0003551400000000, -0.0003616400000000, 0.0019107300000000 ] - [ -0.0008739700000000, -0.0022594700000000, -0.0038319400000000 ] - [ -0.0001126800000000, 0.0003626900000000, 0.0019326200000000 ] - [ -0.0031906700000000, 0.0041304500000000, -0.0010138100000000 ] - [ -0.0000482600000000, -0.0000702900000000, 0.0009585100000000 ] - [ 0.0000555600000000, 0.0010552400000000, -0.0008484500000000 ] - [ 0.0001754200000000, 0.0000519100000000, 0.0010408300000000 ] - [ 0.0006421700000000, -0.0006442300000000, -0.0002621000000000 ] - [ -0.0000994700000000, 0.0000602700000000, 0.0009441000000000 ] - [ -0.0003090000000000, -0.0001535300000000, -0.0002166200000000 ] - [ -0.0002125500000000, 0.0001084700000000, 0.0011434700000000 ] - [ 0.0061378600000000, 0.0025136500000000, -0.0010615300000000 ] - [ 0.0000271700000000, -0.0000963300000000, 0.0012943700000000 ] - [ 0.0006967000000000, -0.0000083500000000, -0.0003090500000000 ] - [ 0.0001324900000000, 0.0001468700000000, 0.0010246500000000 ] - [ -0.0009699600000000, 0.0008157700000000, 0.0004500500000000 ] - [ -0.0002189600000000, -0.0000870800000000, 0.0007998700000000 ] - [ -0.0001880300000000, -0.0007883100000000, 0.0010994500000000 ] - [ 0.0006170000000000, 0.0001931600000000, 0.0014131200000000 ] - [ 0.0006222000000000, 0.0002346700000000, 0.0004866800000000 ] - [ -0.0003303900000000, 0.0001985300000000, 0.0006868800000000 ] - [ 0.0015216500000000, 0.0032537500000000, 0.0051630100000000 ] - [ -0.0001302500000000, -0.0001617400000000, 0.0006685600000000 ] - [ -0.0009719100000000, -0.0000232200000000, 0.0014248300000000 ] - [ 0.0006484900000000, -0.0014536300000000, 0.0021852600000000 ] - [ 0.0003710100000000, -0.0018369200000000, 0.0019302300000000 ] - [ -0.0015738600000000, -0.0002013300000000, 0.0023243200000000 ] - [ 0.0011940500000000, 0.0000365600000000, -0.0002210000000000 ] - [ -0.0000210900000000, 0.0002196000000000, 0.0011273200000000 ] - [ -0.0001094600000000, 0.0004301500000000, -0.0003160300000000 ] - [ 0.0002569200000000, -0.0005239500000000, 0.0010077400000000 ] - [ -0.0002928900000000, -0.0007432200000000, -0.0010560800000000 ] - [ -0.0000097500000000, 0.0010561200000000, 0.0012806400000000 ] - [ 0.0035940800000000, 0.0065158900000000, -0.0036698100000000 ] - [ 0.0004103000000000, 0.0008642700000000, -0.0031416000000000 ] - [ 0.0002706500000000, 0.0001133500000000, 0.0016610100000000 ] - [ -0.0002708500000000, -0.0000676900000000, -0.0014852500000000 ] - [ -0.0001880100000000, -0.0017180100000000, 0.0041410800000000 ] - [ -0.0000259900000000, -0.0000363400000000, -0.0013517400000000 ] - [ 0.0649743900000000, 0.0661520900000000, 0.0917061500000000 ] - [ 0.0001186100000000, 0.0002104000000000, -0.0030903300000000 ] - [ -0.0042447400000000, 0.0003650600000000, 0.0045033400000000 ] - [ 0.0000689800000000, -0.0000928800000000, -0.0026630500000000 ] - [ -0.0002827500000000, -0.0003607300000000, -0.0017864900000000 ] - [ -0.0000961600000000, -0.0012212200000000, -0.0014130200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0016782200000000, 0.0009882100000000, -0.0001393500000000 ] - [ 0.0001314000000000, 0.0001928000000000, 0.0002964600000000 ] - [ -0.0027157500000000, 0.0008997400000000, 0.0001244500000000 ] - [ -0.0002563800000000, 0.0000183800000000, 0.0002926800000000 ] - [ -0.0016887400000000, 0.0088943900000000, -0.0120695500000000 ] - [ 0.0001062400000000, -0.0002484800000000, 0.0003056500000000 ] - [ -0.0028354000000000, 0.0084752700000000, 0.0267861300000000 ] - [ -0.0002017000000000, 0.0001323900000000, 0.0012199300000000 ] - [ -0.0009561400000000, 0.0006535500000000, -0.0059178500000000 ] - [ -0.0000534200000000, -0.0002471400000000, 0.0013174700000000 ] - [ -0.0014568200000000, -0.0022591200000000, -0.0063168700000000 ] - [ 0.0002510800000000, 0.0001057400000000, 0.0013142900000000 ] - [ -0.0002004800000000, -0.0013522400000000, -0.0132039300000000 ] - [ -0.0001105800000000, 0.0001219000000000, 0.0001501900000000 ] - [ 0.0009612400000000, -0.0021401600000000, 0.0001327300000000 ] - [ -0.0000625000000000, -0.0001576500000000, 0.0001299900000000 ] - [ 0.0008649400000000, 0.0020238700000000, -0.0000772300000000 ] - [ 0.0001653800000000, 0.0000443200000000, 0.0000847900000000 ] - [ 0.0008744100000000, 0.0008722600000000, -0.0004452000000000 ] - [ 0.0000315200000000, 0.0002531600000000, 0.0002308600000000 ] - [ -0.0004310900000000, -0.0000526000000000, -0.0006328300000000 ] - [ -0.0002567200000000, -0.0001268500000000, 0.0002396700000000 ] - [ 0.0013501800000000, 0.0003340500000000, -0.0009156100000000 ] - [ 0.0002774400000000, -0.0001219800000000, 0.0002536400000000 ] - [ 0.0085072900000000, 0.0053133800000000, 0.0001217100000000 ] - [ 0.0001052200000000, 0.0001265300000000, 0.0002774500000000 ] - [ 0.0001858300000000, -0.0002259700000000, -0.0001627900000000 ] - [ -0.0000602400000000, -0.0000371700000000, 0.0002578100000000 ] - [ 0.0001979600000000, -0.0001129600000000, -0.0000220500000000 ] - [ -0.0000286600000000, -0.0000199900000000, 0.0003350300000000 ] - [ -0.0002817800000000, 0.0000795400000000, 0.0007822600000000 ] - [ -0.0000425800000000, 0.0000308600000000, 0.0002184100000000 ] - [ 0.0001400800000000, -0.0001102300000000, 0.0009938100000000 ] - [ 0.0003967600000000, 0.0001355900000000, 0.0007594100000000 ] - [ 0.0000787700000000, 0.0001882700000000, 0.0006389000000000 ] - [ 0.0000823200000000, 0.0000505700000000, -0.0000263300000000 ] - [ -0.0012356600000000, -0.0001582900000000, -0.0000942200000000 ] - [ -0.0001615200000000, 0.0000905100000000, 0.0001050900000000 ] - [ -0.0002816500000000, 0.0012741700000000, -0.0004586200000000 ] - [ 0.0000071000000000, -0.0000992100000000, 0.0001516000000000 ] - [ 0.0007310700000000, -0.0001263300000000, -0.0001178900000000 ] - [ 0.0001526400000000, 0.0000621100000000, 0.0001003700000000 ] - [ -0.0050708700000000, 0.0062040600000000, -0.0009202100000000 ] - [ 0.0000492400000000, 0.0001564300000000, 0.0002650900000000 ] - [ -0.0000500700000000, 0.0000146700000000, -0.0003866800000000 ] - [ -0.0001040800000000, -0.0000508500000000, 0.0003818100000000 ] - [ 0.0003021200000000, -0.0011301100000000, 0.0002184800000000 ] - [ 0.0000310600000000, -0.0001360300000000, 0.0002716900000000 ] - [ -0.0002031300000000, 0.0002980600000000, -0.0000034000000000 ] - [ -0.0000217900000000, 0.0001354500000000, 0.0002182400000000 ] - [ -0.0001144100000000, -0.0006695200000000, 0.0003263000000000 ] - [ -0.0002132300000000, 0.0002639300000000, 0.0005343400000000 ] - [ 0.0003762300000000, -0.0002500100000000, 0.0000410900000000 ] - [ 0.0001049900000000, -0.0001739500000000, 0.0002109600000000 ] - [ 0.0000485900000000, -0.0001681200000000, -0.0012707400000000 ] - [ -0.0001956800000000, 0.0000997600000000, 0.0009688000000000 ] - [ 0.0002472500000000, 0.0001422400000000, -0.0012885400000000 ] - [ -0.0000098100000000, -0.0001977600000000, 0.0010087600000000 ] - [ -0.0004461900000000, -0.0015758700000000, -0.0027321500000000 ] - [ 0.0002275800000000, 0.0000969300000000, 0.0012129400000000 ] - [ 0.0024182800000000, 0.0003409800000000, -0.0002281900000000 ] - [ -0.0000841900000000, 0.0001520600000000, -0.0000520000000000 ] - [ -0.0008412600000000, 0.0007581300000000, -0.0000917000000000 ] - [ 0.0002432300000000, -0.0009117300000000, -0.0000561700000000 ] - [ -0.0002687100000000, -0.0009638100000000, -0.0001354600000000 ] - [ 0.0000830400000000, 0.0005259400000000, 0.0008019400000000 ] - [ -0.0011640800000000, 0.0020897800000000, -0.0002165200000000 ] - [ 0.0000716500000000, 0.0002813100000000, 0.0001498900000000 ] - [ -0.0007412600000000, -0.0006765000000000, 0.0004935100000000 ] - [ 0.0001695700000000, -0.0000506700000000, 0.0008039100000000 ] - [ 0.0011939900000000, -0.0003067000000000, 0.0001407600000000 ] - [ -0.0005477400000000, -0.0003152600000000, -0.0000527500000000 ] - [ -0.0010883900000000, -0.0009949200000000, 0.0015324600000000 ] - [ -0.0002693800000000, -0.0002330800000000, -0.0009643300000000 ] - [ 0.0020946100000000, -0.0009683100000000, 0.0015593000000000 ] - [ 0.0003712100000000, -0.0001171400000000, -0.0009789700000000 ] - [ 0.0002203600000000, -0.0018638000000000, 0.0091234500000000 ] - [ -0.0001242400000000, 0.0003577200000000, -0.0011266100000000 ] - [ 0.0061171000000000, -0.0003258300000000, 0.0059725700000000 ] - [ -0.0000814200000000, -0.0001607600000000, -0.0009102900000000 ] - [ -0.0009071400000000, 0.0012874300000000, 0.0013160100000000 ] - [ 0.0002067900000000, 0.0000516700000000, -0.0008631800000000 ] - [ -0.0010365400000000, -0.0013290700000000, 0.0015120400000000 ] - [ -0.0001953000000000, 0.0000610500000000, -0.0008587100000000 ] - [ 0.0509105200000000, 0.0615682400000000, 0.1117844600000000 ] - [ -0.0003625300000000, -0.0003439200000000, -0.0013281400000000 ] - [ -0.0003036400000000, 0.0071006200000000, 0.0155273300000000 ] - [ 0.0006037500000000, -0.0001665800000000, -0.0014647300000000 ] - [ 0.0074579800000000, -0.0012020900000000, 0.0155272800000000 ] - [ -0.0001639500000000, 0.0006292000000000, -0.0014647700000000 ] - [ 0.0054843000000000, -0.0136611500000000, -0.0553061700000000 ] - [ -0.0002199800000000, -0.0000738700000000, -0.0012189700000000 ] - [ 0.0012778100000000, -0.0000625500000000, 0.0044249300000000 ] - [ 0.0001378900000000, -0.0000064500000000, -0.0014154800000000 ] - [ 0.0009502300000000, 0.0028459100000000, 0.0043172200000000 ] - [ 0.0001876300000000, 0.0002293300000000, -0.0014368000000000 ] - [ 0.0031300100000000, -0.0041815800000000, 0.0011428400000000 ] - [ 0.0000099100000000, -0.0000218900000000, -0.0007992000000000 ] - [ 0.0000335100000000, -0.0010334500000000, 0.0009886600000000 ] - [ -0.0000791700000000, -0.0000331700000000, -0.0008780700000000 ] - [ -0.0007049800000000, 0.0007165500000000, 0.0004078200000000 ] - [ 0.0000311300000000, 0.0000156600000000, -0.0007805200000000 ] - [ -0.0002264300000000, -0.0001917800000000, 0.0003240200000000 ] - [ -0.0003213100000000, -0.0004501000000000, -0.0010210600000000 ] - [ -0.0055286100000000, -0.0027889200000000, 0.0011580600000000 ] - [ 0.0005421100000000, -0.0001990700000000, -0.0011758800000000 ] - [ -0.0007231300000000, 0.0006432500000000, 0.0004157800000000 ] - [ -0.0001592600000000, 0.0004890800000000, -0.0009016600000000 ] - [ 0.0004482000000000, -0.0011048200000000, -0.0000782600000000 ] - [ -0.0002980500000000, -0.0002017400000000, -0.0004371600000000 ] - [ 0.0007124700000000, 0.0004810100000000, -0.0007355800000000 ] - [ -0.0000902200000000, -0.0005013200000000, -0.0010495900000000 ] - [ -0.0006110800000000, 0.0003570700000000, -0.0001116700000000 ] - [ 0.0003408200000000, 0.0003921700000000, -0.0003252900000000 ] - [ -0.0015702200000000, -0.0033815300000000, -0.0049362700000000 ] - [ 0.0000804300000000, 0.0000324200000000, -0.0004235100000000 ] - [ 0.0011002900000000, 0.0000359800000000, -0.0011822300000000 ] - [ -0.0005089300000000, 0.0014628800000000, -0.0019227100000000 ] - [ -0.0004593700000000, 0.0019371400000000, -0.0016722100000000 ] - [ 0.0014675500000000, 0.0003039900000000, -0.0020580400000000 ] - [ -0.0017236500000000, -0.0003826700000000, 0.0003179300000000 ] - [ -0.0005071800000000, -0.0005646400000000, -0.0010358200000000 ] - [ 0.0006785300000000, -0.0007187700000000, 0.0004072800000000 ] - [ 0.0003094300000000, 0.0002339800000000, -0.0009175500000000 ] - [ 0.0002584000000000, 0.0013810700000000, 0.0011614900000000 ] - [ -0.0000282300000000, -0.0004129700000000, -0.0011886400000000 ] - [ -0.0035643600000000, -0.0064613400000000, 0.0042760700000000 ] - [ -0.0004009400000000, -0.0008603200000000, 0.0037595500000000 ] - [ -0.0002669500000000, -0.0000878700000000, -0.0010828700000000 ] - [ 0.0002625200000000, 0.0000707200000000, 0.0020805700000000 ] - [ 0.0001819300000000, 0.0017183400000000, -0.0030868000000000 ] - [ 0.0000397300000000, 0.0000317100000000, 0.0023400000000000 ] - [ -0.0669671300000000, -0.0681881800000000, -0.0931940000000000 ] - [ -0.0001201200000000, -0.0002096900000000, 0.0024603200000000 ] - [ 0.0042154200000000, -0.0003582400000000, -0.0050823500000000 ] - [ -0.0000754600000000, 0.0000940500000000, 0.0020251400000000 ] - [ 0.0002781900000000, 0.0003606100000000, 0.0011353900000000 ] - [ 0.0000968600000000, 0.0012066900000000, 0.0007816600000000 ]- atom: 127 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005171300000000, 0.0003300900000000, 0.0008173300000000 ] - [ -0.0000410900000000, 0.0000882200000000, -0.0000805300000000 ] - [ -0.0002033900000000, -0.0001806500000000, -0.0003965600000000 ] - [ -0.0003912600000000, -0.0000403900000000, 0.0001085400000000 ] - [ 0.0001053500000000, 0.0003050800000000, -0.0002815500000000 ] - [ 0.0000628500000000, -0.0000681600000000, 0.0001100800000000 ] - [ -0.0001958200000000, -0.0003760000000000, -0.0058031100000000 ] - [ -0.0000292800000000, -0.0000602100000000, -0.0002178000000000 ] - [ -0.0024835200000000, -0.0015750500000000, 0.0105395800000000 ] - [ 0.0002342800000000, -0.0001435600000000, -0.0001024400000000 ] - [ -0.0024876100000000, 0.0014335600000000, -0.0054617300000000 ] - [ -0.0000871500000000, 0.0000974800000000, -0.0003902800000000 ] - [ 0.0002821700000000, 0.0001782400000000, -0.0003622000000000 ] - [ -0.0002227900000000, 0.0002371800000000, 0.0005076600000000 ] - [ 0.0003027900000000, -0.0008065400000000, 0.0000407700000000 ] - [ -0.0000816800000000, 0.0001169900000000, -0.0005600800000000 ] - [ -0.0001898300000000, -0.0003259600000000, -0.0001167500000000 ] - [ 0.0001143400000000, 0.0000625800000000, -0.0003855600000000 ] - [ 0.0004029700000000, -0.0000402200000000, -0.0000516500000000 ] - [ 0.0004421500000000, -0.0000529700000000, 0.0000687000000000 ] - [ -0.0003542900000000, -0.0004288100000000, -0.0001054600000000 ] - [ -0.0003238900000000, -0.0004780500000000, -0.0001330300000000 ] - [ 0.0002431100000000, 0.0000318500000000, 0.0000343500000000 ] - [ 0.0002490400000000, 0.0000090800000000, -0.0000577300000000 ] - [ 0.0036289200000000, 0.0052399700000000, -0.0025381600000000 ] - [ 0.0000466500000000, 0.0001779100000000, 0.0000361700000000 ] - [ 0.0103988800000000, -0.0027544000000000, 0.0012794100000000 ] - [ -0.0002085000000000, -0.0000409700000000, 0.0000736600000000 ] - [ 0.0005373900000000, -0.0050517900000000, 0.0013327900000000 ] - [ 0.0001226000000000, -0.0000983900000000, 0.0000381000000000 ] - [ -0.0001127200000000, -0.0001033400000000, -0.0002503400000000 ] - [ -0.0000553300000000, -0.0004574700000000, 0.0006013500000000 ] - [ 0.0001445700000000, -0.0000410500000000, -0.0002768500000000 ] - [ 0.0009714000000000, 0.0011139600000000, -0.0015476000000000 ] - [ -0.0000347500000000, 0.0001394300000000, -0.0002008300000000 ] - [ 0.0017080000000000, -0.0001256300000000, 0.0002200900000000 ] - [ 0.0001913600000000, -0.0009608900000000, 0.0001246900000000 ] - [ -0.0000559700000000, 0.0000980100000000, -0.0001483500000000 ] - [ -0.0011887400000000, 0.0018031200000000, -0.0004504600000000 ] - [ -0.0000581200000000, -0.0001009900000000, -0.0001547300000000 ] - [ 0.0022634600000000, 0.0016281900000000, -0.0001115300000000 ] - [ 0.0001323700000000, 0.0000085500000000, -0.0001330400000000 ] - [ -0.0038811400000000, 0.0027003800000000, 0.0003534900000000 ] - [ 0.0000281200000000, 0.0002341200000000, -0.0000497400000000 ] - [ 0.0033659300000000, 0.0077445700000000, 0.0019690200000000 ] - [ -0.0002228000000000, -0.0001290700000000, -0.0000540800000000 ] - [ 0.0046796700000000, -0.0014714800000000, -0.0024582200000000 ] - [ 0.0001583500000000, -0.0001348500000000, -0.0000146900000000 ] - [ 0.0000454800000000, 0.0001588900000000, 0.0000257600000000 ] - [ -0.0008718600000000, -0.0011414500000000, 0.0002854100000000 ] - [ -0.0001705700000000, -0.0000304100000000, 0.0000221500000000 ] - [ -0.0015364700000000, 0.0015496300000000, 0.0005599400000000 ] - [ 0.0001555400000000, -0.0001174100000000, 0.0000919500000000 ] - [ 0.0015025900000000, 0.0004098600000000, -0.0006996000000000 ] - [ -0.0001889400000000, 0.0000050100000000, 0.0001388100000000 ] - [ 0.0001110100000000, -0.0002934700000000, -0.0010801100000000 ] - [ 0.0002080400000000, 0.0000447200000000, -0.0005038900000000 ] - [ -0.0000144700000000, -0.0002839700000000, 0.0007839200000000 ] - [ -0.0000712500000000, 0.0001149200000000, -0.0003387000000000 ] - [ -0.0000559200000000, 0.0002523500000000, -0.0003932800000000 ] - [ -0.0001373300000000, 0.0001074200000000, -0.0001332500000000 ] - [ 0.0035252100000000, 0.0038321200000000, -0.0042058400000000 ] - [ -0.0000901800000000, -0.0000617300000000, -0.0001556700000000 ] - [ 0.0051911800000000, -0.0078356200000000, 0.0037657400000000 ] - [ 0.0001117000000000, 0.0000080600000000, -0.0001575300000000 ] - [ -0.0054247600000000, -0.0033758100000000, 0.0000612100000000 ] - [ 0.0000272700000000, 0.0002214800000000, -0.0000556000000000 ] - [ -0.0047873400000000, 0.0020207000000000, 0.0012500500000000 ] - [ -0.0002207500000000, -0.0001482600000000, -0.0000758200000000 ] - [ 0.0038692000000000, 0.0066419600000000, 0.0025624700000000 ] - [ 0.0001605600000000, -0.0001481500000000, 0.0000223800000000 ] - [ 0.0041022900000000, -0.0034972900000000, -0.0038501900000000 ] - [ -0.0008718900000000, -0.0002559500000000, -0.0002884300000000 ] - [ -0.0004760800000000, 0.0001302500000000, 0.0007540600000000 ] - [ 0.0002321900000000, 0.0000212400000000, 0.0007146600000000 ] - [ 0.0005116500000000, 0.0000901100000000, -0.0003837400000000 ] - [ -0.0000445200000000, -0.0001052000000000, 0.0002649900000000 ] - [ 0.0000160700000000, 0.0002225300000000, 0.0003096500000000 ] - [ -0.0004840400000000, 0.0000539400000000, 0.0002648100000000 ] - [ -0.0006726500000000, -0.0002013300000000, -0.0006393200000000 ] - [ -0.0001738700000000, 0.0006179100000000, 0.0000508600000000 ] - [ -0.0000300300000000, 0.0001712600000000, 0.0006870400000000 ] - [ 0.0000174600000000, 0.0002449500000000, -0.0000393600000000 ] - [ -0.0001722500000000, -0.0003958700000000, 0.0002242400000000 ] - [ 0.0003421400000000, 0.0006745000000000, 0.0035880800000000 ] - [ 0.0003994200000000, 0.0003776900000000, 0.0004257000000000 ] - [ 0.0027502800000000, 0.0005330900000000, -0.0073777600000000 ] - [ 0.0013423900000000, -0.0006445000000000, -0.0009321700000000 ] - [ 0.0014426100000000, -0.0004973400000000, 0.0038418300000000 ] - [ 0.0000083600000000, 0.0000277000000000, 0.0005628900000000 ] - [ 0.0096024000000000, 0.0020740600000000, 0.0006820900000000 ] - [ -0.0003173700000000, -0.0001336300000000, 0.0002583100000000 ] - [ 0.0158690000000000, -0.0018479800000000, 0.0027787200000000 ] - [ 0.0002265100000000, -0.0001164000000000, 0.0001119000000000 ] - [ 0.0097769700000000, -0.0049890000000000, -0.0032313100000000 ] - [ 0.0000785100000000, 0.0003019400000000, 0.0003673500000000 ] - [ 0.0016223200000000, -0.0016160800000000, -0.0001434300000000 ] - [ -0.0000394800000000, -0.0000312000000000, 0.0000745700000000 ] - [ -0.0023843100000000, -0.0054137600000000, -0.0006113800000000 ] - [ 0.0000482600000000, 0.0000210800000000, 0.0001199700000000 ] - [ -0.0037639200000000, 0.0000750100000000, 0.0009981000000000 ] - [ -0.0000495400000000, 0.0000367800000000, 0.0000422900000000 ] - [ -0.0002752100000000, 0.0038003600000000, -0.0001285200000000 ] - [ -0.0002929700000000, -0.0002050700000000, 0.0000251800000000 ] - [ -0.0020928900000000, -0.0020401300000000, 0.0016391300000000 ] - [ 0.0002810300000000, -0.0001404400000000, 0.0001029100000000 ] - [ -0.0062928800000000, 0.0034135000000000, -0.0013292700000000 ] - [ 0.0000060400000000, 0.0002868600000000, 0.0000447700000000 ] - [ -0.0002686900000000, -0.0001144500000000, 0.0001861300000000 ] - [ 0.0017148100000000, -0.0011883100000000, -0.0001973500000000 ] - [ 0.0002500400000000, -0.0001485200000000, 0.0002388000000000 ] - [ -0.0017109200000000, -0.0052940800000000, -0.0002856300000000 ] - [ -0.0000223700000000, 0.0003141000000000, 0.0001174100000000 ] - [ -0.0035329700000000, 0.0006138600000000, 0.0010132000000000 ] - [ -0.0000020800000000, -0.0000290700000000, 0.0002106000000000 ] - [ 0.0138939100000000, 0.0039995600000000, -0.0037937200000000 ] - [ 0.0001845900000000, 0.0000485800000000, -0.0000191100000000 ] - [ 0.0226174600000000, 0.0015807700000000, 0.0083604100000000 ] - [ 0.0000259700000000, 0.0000067400000000, 0.0001794600000000 ] - [ 0.0155927300000000, -0.0039217000000000, -0.0035484500000000 ] - [ -0.0002919200000000, -0.0002845700000000, -0.0002216200000000 ] - [ -0.0038875800000000, -0.0018714900000000, 0.0003083800000000 ] - [ 0.0002192400000000, -0.0001791000000000, 0.0002370200000000 ] - [ -0.0043023500000000, 0.0052286900000000, -0.0001838500000000 ] - [ 0.0000008100000000, 0.0002753900000000, 0.0001162500000000 ] - [ 0.0020068600000000, 0.0029830600000000, -0.0000067500000000 ] - [ -0.0974429400000000, -0.0000213200000000, 0.0001549400000000 ] - [ 0.0000585300000000, 0.0000010500000000, 0.0003121400000000 ] - [ 0.0001686700000000, 0.0000059800000000, 0.0003012300000000 ] - [ 0.0020468600000000, 0.0000707100000000, 0.0003073900000000 ] - [ 0.0020541000000000, -0.0000715400000000, 0.0004963200000000 ] - [ 0.0001791800000000, -0.0000069200000000, 0.0005002400000000 ] - [ -0.0039570300000000, 0.0007327400000000, -0.0003054200000000 ] - [ -0.0040592600000000, -0.0000528200000000, -0.0003291500000000 ] - [ 0.0017802600000000, -0.0033165700000000, -0.0003152900000000 ] - [ 0.0000357000000000, 0.0001002800000000, -0.0003113000000000 ] - [ 0.0001200400000000, 0.0000938300000000, -0.0003166100000000 ] - [ 0.0065242300000000, -0.0002609700000000, -0.0003160600000000 ]- atom: 127 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004261600000000, 0.0000247800000000, -0.0007254300000000 ] - [ 0.0001347000000000, 0.0002676700000000, 0.0001730000000000 ] - [ -0.0001643500000000, 0.0000915400000000, 0.0004903800000000 ] - [ 0.0000229400000000, -0.0000480400000000, -0.0000158100000000 ] - [ 0.0001533300000000, -0.0005619800000000, 0.0003745600000000 ] - [ 0.0001958100000000, -0.0001887400000000, -0.0000188100000000 ] - [ -0.0000168800000000, 0.0001756900000000, 0.0053460500000000 ] - [ -0.0001798200000000, -0.0001498600000000, -0.0002548500000000 ] - [ 0.0027598700000000, 0.0015022300000000, -0.0110706400000000 ] - [ 0.0000499100000000, 0.0000694900000000, -0.0003704200000000 ] - [ 0.0024110700000000, -0.0011385900000000, 0.0049995800000000 ] - [ 0.0000075600000000, 0.0001881300000000, -0.0000847900000000 ] - [ -0.0004065900000000, 0.0000337000000000, 0.0000687500000000 ] - [ 0.0000987000000000, -0.0000254700000000, -0.0007998400000000 ] - [ -0.0004205200000000, 0.0005886000000000, -0.0003310700000000 ] - [ -0.0000340400000000, -0.0003373500000000, 0.0002698000000000 ] - [ 0.0004384700000000, 0.0003308600000000, -0.0001750600000000 ] - [ 0.0001338300000000, -0.0000571500000000, 0.0000928300000000 ] - [ -0.0003637300000000, 0.0004903100000000, -0.0000307600000000 ] - [ -0.0004033000000000, 0.0005038500000000, -0.0001493200000000 ] - [ -0.0000548500000000, 0.0002397200000000, 0.0000247400000000 ] - [ -0.0000862300000000, 0.0002868200000000, 0.0000515900000000 ] - [ 0.0001273200000000, -0.0002917900000000, -0.0001157600000000 ] - [ 0.0001234700000000, -0.0002679700000000, -0.0000232400000000 ] - [ -0.0035557900000000, -0.0048382900000000, 0.0025954800000000 ] - [ 0.0000428000000000, 0.0001779300000000, 0.0000629000000000 ] - [ -0.0108653600000000, 0.0026548300000000, -0.0012767300000000 ] - [ -0.0001534400000000, -0.0000527800000000, 0.0000255800000000 ] - [ -0.0002745100000000, 0.0048066200000000, -0.0012450600000000 ] - [ 0.0001379500000000, -0.0001550800000000, 0.0000597300000000 ] - [ -0.0001051500000000, -0.0001017900000000, -0.0002344700000000 ] - [ -0.0001643100000000, 0.0002567100000000, -0.0010805500000000 ] - [ 0.0001382400000000, -0.0000425800000000, -0.0002065100000000 ] - [ -0.0006860000000000, -0.0011890400000000, 0.0010603100000000 ] - [ -0.0000367700000000, 0.0001510900000000, -0.0002864800000000 ] - [ -0.0017881200000000, 0.0004206000000000, -0.0007053500000000 ] - [ -0.0003127100000000, 0.0011684700000000, -0.0004169700000000 ] - [ -0.0000669100000000, 0.0001079400000000, -0.0001432100000000 ] - [ 0.0010782500000000, -0.0020234600000000, 0.0001631000000000 ] - [ -0.0000563700000000, -0.0001130200000000, -0.0001348200000000 ] - [ -0.0020124200000000, -0.0016190900000000, -0.0001827600000000 ] - [ 0.0001094900000000, -0.0000023200000000, -0.0001574300000000 ] - [ 0.0039375500000000, -0.0022537100000000, -0.0004244900000000 ] - [ 0.0000159000000000, 0.0002293400000000, -0.0000291800000000 ] - [ -0.0037999300000000, -0.0079599600000000, -0.0020643800000000 ] - [ -0.0002005600000000, -0.0000640100000000, -0.0000245100000000 ] - [ -0.0043056400000000, 0.0011764800000000, 0.0023541500000000 ] - [ 0.0002222400000000, -0.0001344800000000, -0.0000638600000000 ] - [ 0.0000374500000000, 0.0001846500000000, 0.0000683600000000 ] - [ 0.0009455800000000, 0.0014781000000000, -0.0001911600000000 ] - [ -0.0001750700000000, -0.0000641000000000, 0.0000710600000000 ] - [ 0.0011830600000000, -0.0016383300000000, -0.0004644900000000 ] - [ 0.0000978100000000, -0.0001244000000000, 0.0000007300000000 ] - [ -0.0012584500000000, -0.0006551500000000, 0.0008016400000000 ] - [ -0.0000251800000000, -0.0002162700000000, -0.0006074700000000 ] - [ -0.0003247500000000, 0.0000848700000000, 0.0006235800000000 ] - [ 0.0000781400000000, -0.0001218000000000, 0.0000359900000000 ] - [ 0.0002986600000000, 0.0002049400000000, -0.0012406000000000 ] - [ -0.0000067900000000, 0.0001749000000000, -0.0001315700000000 ] - [ -0.0000214800000000, 0.0000370200000000, -0.0000720400000000 ] - [ -0.0000016300000000, 0.0000985900000000, -0.0001648100000000 ] - [ -0.0036512300000000, -0.0036880800000000, 0.0039617700000000 ] - [ -0.0000189600000000, -0.0001621100000000, -0.0001411800000000 ] - [ -0.0052236100000000, 0.0075979800000000, -0.0039732300000000 ] - [ 0.0001365800000000, 0.0000104200000000, -0.0001397800000000 ] - [ 0.0056589300000000, 0.0033866500000000, -0.0003672700000000 ] - [ 0.0000117400000000, 0.0002439400000000, -0.0000169700000000 ] - [ 0.0048085000000000, -0.0015450000000000, -0.0013321900000000 ] - [ -0.0002020900000000, -0.0000506500000000, 0.0000036300000000 ] - [ -0.0042188900000000, -0.0068226400000000, -0.0025474900000000 ] - [ 0.0002256900000000, -0.0001176500000000, -0.0000947500000000 ] - [ -0.0037181300000000, 0.0033024900000000, 0.0038424400000000 ] - [ 0.0003095200000000, -0.0000454500000000, 0.0007535900000000 ] - [ -0.0000862400000000, -0.0004329000000000, -0.0002999800000000 ] - [ 0.0003282200000000, -0.0003688700000000, -0.0002585200000000 ] - [ 0.0000496000000000, -0.0004364900000000, 0.0008323500000000 ] - [ 0.0000721500000000, 0.0007429400000000, 0.0001947800000000 ] - [ 0.0000098100000000, 0.0004136000000000, 0.0001464900000000 ] - [ 0.0004247200000000, -0.0001924000000000, -0.0000835400000000 ] - [ 0.0006138900000000, 0.0000624900000000, 0.0008152400000000 ] - [ 0.0003185000000000, -0.0005930100000000, 0.0001322900000000 ] - [ 0.0001732700000000, -0.0001448700000000, -0.0005052200000000 ] - [ -0.0001146800000000, -0.0001292400000000, 0.0002257100000000 ] - [ 0.0000732100000000, 0.0005097900000000, -0.0000399400000000 ] - [ -0.0009147000000000, -0.0009962600000000, -0.0035702800000000 ] - [ -0.0009681900000000, -0.0006887600000000, -0.0003856800000000 ] - [ -0.0021939600000000, -0.0008778400000000, 0.0074397900000000 ] - [ -0.0007835600000000, 0.0003027800000000, 0.0009667000000000 ] - [ -0.0014341600000000, 0.0011556300000000, -0.0038179100000000 ] - [ 0.0000041500000000, 0.0006253600000000, -0.0005254500000000 ] - [ -0.0101148900000000, -0.0022060900000000, -0.0002772400000000 ] - [ -0.0002318400000000, -0.0001023800000000, 0.0002363300000000 ] - [ -0.0163789600000000, 0.0014626200000000, -0.0030537600000000 ] - [ 0.0002656100000000, -0.0002496900000000, 0.0003762400000000 ] - [ -0.0096272700000000, 0.0053679000000000, 0.0035475400000000 ] - [ -0.0000034100000000, 0.0002891400000000, 0.0001240000000000 ] - [ -0.0016662700000000, 0.0015341700000000, 0.0002964700000000 ] - [ 0.0000013500000000, -0.0000616200000000, 0.0000800600000000 ] - [ 0.0024811800000000, 0.0054449200000000, 0.0007742900000000 ] - [ 0.0000482300000000, -0.0000018600000000, 0.0000380800000000 ] - [ 0.0037029100000000, 0.0000120000000000, -0.0008293100000000 ] - [ -0.0000198600000000, 0.0000394300000000, 0.0001166800000000 ] - [ -0.0002621700000000, -0.0041621800000000, 0.0002406900000000 ] - [ -0.0002416600000000, -0.0001384500000000, 0.0000908900000000 ] - [ 0.0026772400000000, 0.0017455500000000, -0.0015220300000000 ] - [ 0.0002900800000000, -0.0001546500000000, 0.0000101900000000 ] - [ 0.0062719400000000, -0.0027940800000000, 0.0014620900000000 ] - [ -0.0000350900000000, 0.0003506300000000, 0.0000707300000000 ] - [ -0.0002494600000000, -0.0001743400000000, 0.0001785200000000 ] - [ -0.0022234000000000, 0.0008949600000000, 0.0005585200000000 ] - [ 0.0002689700000000, -0.0001610500000000, 0.0001180900000000 ] - [ 0.0022255100000000, 0.0049651100000000, 0.0006355600000000 ] - [ 0.0000358900000000, 0.0002763600000000, 0.0002446500000000 ] - [ 0.0035448300000000, -0.0000367600000000, -0.0006649200000000 ] - [ -0.0000458300000000, -0.0000967900000000, 0.0000324900000000 ] - [ -0.0139727900000000, -0.0042733700000000, 0.0041749900000000 ] - [ -0.0000517900000000, -0.0000255800000000, 0.0002676600000000 ] - [ -0.0212656100000000, -0.0015010600000000, -0.0071759200000000 ] - [ -0.0001171900000000, 0.0000970300000000, 0.0000689800000000 ] - [ -0.0157732400000000, 0.0042504400000000, 0.0040000700000000 ] - [ -0.0002367100000000, -0.0000623500000000, 0.0003114400000000 ] - [ 0.0033512900000000, 0.0015406300000000, -0.0002297900000000 ] - [ 0.0003477000000000, -0.0001072700000000, -0.0001499400000000 ] - [ 0.0048565800000000, -0.0054980400000000, 0.0002590700000000 ] - [ -0.0000388200000000, 0.0003595400000000, -0.0000307500000000 ] - [ -0.0020399700000000, -0.0023366300000000, 0.0000877600000000 ] - [ 0.0972424800000000, -0.0000159100000000, 0.0001885700000000 ] - [ -0.0000553200000000, 0.0000011800000000, 0.0003134900000000 ] - [ -0.0001756500000000, -0.0000024700000000, 0.0003023200000000 ] - [ -0.0020499900000000, -0.0000579900000000, 0.0003084900000000 ] - [ -0.0020428500000000, 0.0000574100000000, 0.0004975600000000 ] - [ -0.0001651500000000, 0.0000015600000000, 0.0005021000000000 ] - [ 0.0039667600000000, -0.0007355900000000, -0.0003056900000000 ] - [ 0.0040550900000000, 0.0000487200000000, -0.0003294700000000 ] - [ -0.0017854600000000, 0.0033459900000000, -0.0003155700000000 ] - [ -0.0000416500000000, -0.0000987900000000, -0.0003115400000000 ] - [ -0.0001201900000000, -0.0000970500000000, -0.0003168400000000 ] - [ -0.0065175100000000, 0.0002350300000000, -0.0003164200000000 ]- atom: 127 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012604400000000, 0.0008493500000000, 0.0006085900000000 ] - [ -0.0007508500000000, -0.0003507400000000, 0.0002206400000000 ] - [ -0.0013657700000000, 0.0006669000000000, 0.0006085900000000 ] - [ 0.0006791800000000, -0.0004748800000000, 0.0002206400000000 ] - [ 0.0001053400000000, -0.0015162400000000, 0.0006085900000000 ] - [ 0.0000716700000000, 0.0008256300000000, 0.0002206400000000 ] - [ -0.0023677100000000, -0.0039397600000000, 0.0074751000000000 ] - [ -0.0003747400000000, 0.0003218700000000, 0.0024569000000000 ] - [ 0.0045957900000000, -0.0000806200000000, 0.0074751000000000 ] - [ -0.0000913800000000, -0.0004854700000000, 0.0024569000000000 ] - [ -0.0022280800000000, 0.0040203800000000, 0.0074751000000000 ] - [ 0.0004661100000000, 0.0001636000000000, 0.0024569000000000 ] - [ -0.0015321000000000, 0.0000947300000000, 0.0003698400000000 ] - [ 0.0007954400000000, 0.0001904600000000, 0.0000951500000000 ] - [ 0.0006840100000000, -0.0013742000000000, 0.0003698400000000 ] - [ -0.0005626600000000, 0.0005936400000000, 0.0000951500000000 ] - [ 0.0008480900000000, 0.0012794700000000, 0.0003698400000000 ] - [ -0.0002327700000000, -0.0007841000000000, 0.0000951500000000 ] - [ 0.0001042600000000, 0.0002088100000000, 0.0001548300000000 ] - [ 0.0000864800000000, 0.0001761700000000, 0.0002997300000000 ] - [ -0.0002329600000000, -0.0000141200000000, 0.0001548300000000 ] - [ -0.0001958100000000, -0.0000131900000000, 0.0002997300000000 ] - [ 0.0001287100000000, -0.0001946900000000, 0.0001548300000000 ] - [ 0.0001093300000000, -0.0001629800000000, 0.0002997300000000 ] - [ -0.0055639500000000, -0.0029109300000000, -0.0034901400000000 ] - [ 0.0003527300000000, 0.0003348600000000, 0.0004755100000000 ] - [ 0.0053029200000000, -0.0033630600000000, -0.0034901400000000 ] - [ -0.0004663600000000, 0.0001380400000000, 0.0004755100000000 ] - [ 0.0002610300000000, 0.0062739900000000, -0.0034901400000000 ] - [ 0.0001136400000000, -0.0004729000000000, 0.0004755100000000 ] - [ -0.0002514400000000, 0.0002095300000000, 0.0017786600000000 ] - [ 0.0002955800000000, -0.0009022900000000, -0.0060583400000000 ] - [ -0.0000557400000000, -0.0003225200000000, 0.0017786600000000 ] - [ 0.0006336200000000, 0.0007071200000000, -0.0060583400000000 ] - [ 0.0003071800000000, 0.0001129900000000, 0.0017786600000000 ] - [ -0.0009291900000000, 0.0001951700000000, -0.0060583400000000 ] - [ 0.0001200700000000, 0.0003340600000000, -0.0010539000000000 ] - [ -0.0001250800000000, 0.0001238700000000, 0.0002367600000000 ] - [ -0.0003493400000000, -0.0000630500000000, -0.0010539000000000 ] - [ -0.0000447400000000, -0.0001702600000000, 0.0002367600000000 ] - [ 0.0002292700000000, -0.0002710100000000, -0.0010539000000000 ] - [ 0.0001698200000000, 0.0000463800000000, 0.0002367600000000 ] - [ 0.0036177100000000, -0.0053034400000000, -0.0003043700000000 ] - [ -0.0000990500000000, 0.0004699200000000, 0.0004035200000000 ] - [ 0.0027840600000000, 0.0057847400000000, -0.0003043700000000 ] - [ -0.0003574400000000, -0.0003207400000000, 0.0004035200000000 ] - [ -0.0064017600000000, -0.0004813100000000, -0.0003043700000000 ] - [ 0.0004564900000000, -0.0001491800000000, 0.0004035200000000 ] - [ 0.0001978300000000, 0.0002798600000000, 0.0004374500000000 ] - [ 0.0000516200000000, -0.0003228300000000, -0.0001493600000000 ] - [ -0.0003412800000000, 0.0000314000000000, 0.0004374500000000 ] - [ 0.0002537700000000, 0.0002061200000000, -0.0001493600000000 ] - [ 0.0001434500000000, -0.0003112600000000, 0.0004374500000000 ] - [ -0.0003053900000000, 0.0001167100000000, -0.0001493600000000 ] - [ -0.0002517700000000, 0.0001749600000000, 0.0015985400000000 ] - [ -0.0000613600000000, -0.0000074700000000, 0.0000553300000000 ] - [ -0.0000256300000000, -0.0003055200000000, 0.0015985400000000 ] - [ 0.0000371500000000, -0.0000494000000000, 0.0000553300000000 ] - [ 0.0002774000000000, 0.0001305600000000, 0.0015985400000000 ] - [ 0.0000242100000000, 0.0000568700000000, 0.0000553300000000 ] - [ -0.0000306700000000, 0.0001562200000000, 0.0002653300000000 ] - [ -0.0056780200000000, 0.0001368900000000, 0.0011024600000000 ] - [ -0.0001199600000000, -0.0001046700000000, 0.0002653300000000 ] - [ 0.0027204600000000, -0.0049857600000000, 0.0011024600000000 ] - [ 0.0001506200000000, -0.0000515500000000, 0.0002653300000000 ] - [ 0.0029575600000000, 0.0048488700000000, 0.0011024600000000 ] - [ -0.0000602700000000, 0.0004471300000000, 0.0004109900000000 ] - [ 0.0031844200000000, -0.0038900000000000, 0.0001065900000000 ] - [ -0.0003570900000000, -0.0002757600000000, 0.0004109900000000 ] - [ 0.0017766200000000, 0.0047027900000000, 0.0001065900000000 ] - [ 0.0004173600000000, -0.0001713700000000, 0.0004109900000000 ] - [ -0.0049610500000000, -0.0008127900000000, 0.0001065900000000 ] - [ -0.0009317500000000, -0.0007551200000000, -0.0012335200000000 ] - [ 0.0001221600000000, 0.0002115400000000, -0.0003422700000000 ] - [ 0.0011198300000000, -0.0004293500000000, -0.0012335200000000 ] - [ -0.0002442800000000, 0.0000000200000000, -0.0003422700000000 ] - [ -0.0001880800000000, 0.0011844800000000, -0.0012335200000000 ] - [ 0.0001221200000000, -0.0002115600000000, -0.0003422700000000 ] - [ 0.0008775000000000, 0.0000967000000000, -0.0006834600000000 ] - [ -0.0007745100000000, -0.0004074200000000, -0.0008022300000000 ] - [ -0.0005225000000000, 0.0007115800000000, -0.0006834600000000 ] - [ 0.0007400900000000, -0.0004670300000000, -0.0008022300000000 ] - [ -0.0003550000000000, -0.0008082900000000, -0.0006834600000000 ] - [ 0.0000344200000000, 0.0008744500000000, -0.0008022300000000 ] - [ 0.0004715600000000, 0.0002633800000000, -0.0039565500000000 ] - [ -0.0015181900000000, -0.0017589200000000, -0.0034431600000000 ] - [ -0.0004638700000000, 0.0002766900000000, -0.0039565500000000 ] - [ 0.0022823600000000, -0.0004353400000000, -0.0034431600000000 ] - [ -0.0000076900000000, -0.0005400700000000, -0.0039565500000000 ] - [ -0.0007641700000000, 0.0021942500000000, -0.0034431600000000 ] - [ -0.0022964000000000, -0.0027031800000000, 0.0151512400000000 ] - [ -0.0002092800000000, -0.0004709500000000, -0.0022526500000000 ] - [ 0.0034892200000000, -0.0006371500000000, 0.0151512400000000 ] - [ 0.0005124900000000, 0.0000542300000000, -0.0022526500000000 ] - [ -0.0011928300000000, 0.0033403300000000, 0.0151512400000000 ] - [ -0.0003032100000000, 0.0004167200000000, -0.0022526500000000 ] - [ -0.0018913800000000, 0.0035019500000000, 0.0020432100000000 ] - [ 0.0000222800000000, -0.0003417700000000, -0.0013155800000000 ] - [ -0.0020870900000000, -0.0033889500000000, 0.0020432100000000 ] - [ 0.0002848400000000, 0.0001901800000000, -0.0013155800000000 ] - [ 0.0039784700000000, -0.0001130000000000, 0.0020432100000000 ] - [ -0.0003071300000000, 0.0001515900000000, -0.0013155800000000 ] - [ -0.0001264800000000, -0.0040005700000000, 0.0036685900000000 ] - [ -0.0004256000000000, -0.0003373400000000, -0.0017882200000000 ] - [ 0.0035278400000000, 0.0018907500000000, 0.0036685900000000 ] - [ 0.0005049400000000, -0.0001999100000000, -0.0017882200000000 ] - [ -0.0034013600000000, 0.0021098200000000, 0.0036685900000000 ] - [ -0.0000793400000000, 0.0005372500000000, -0.0017882200000000 ] - [ -0.0002155700000000, -0.0004048600000000, -0.0017141700000000 ] - [ -0.0021025400000000, 0.0028417800000000, 0.0034031700000000 ] - [ 0.0004584000000000, 0.0000157400000000, -0.0017141700000000 ] - [ -0.0014097800000000, -0.0032417400000000, 0.0034031700000000 ] - [ -0.0002428300000000, 0.0003891200000000, -0.0017141700000000 ] - [ 0.0035123200000000, 0.0003999600000000, 0.0034031700000000 ] - [ -0.0000872800000000, -0.0003747100000000, -0.0016613400000000 ] - [ -0.0061387700000000, -0.0116915400000000, 0.0149967300000000 ] - [ 0.0003681500000000, 0.0001117700000000, -0.0016613400000000 ] - [ 0.0131945600000000, 0.0005294400000000, 0.0149967300000000 ] - [ -0.0002808700000000, 0.0002629400000000, -0.0016613400000000 ] - [ -0.0070557900000000, 0.0111621000000000, 0.0149967300000000 ] - [ -0.0004994900000000, -0.0004476500000000, -0.0017397300000000 ] - [ 0.0036403300000000, 0.0001893300000000, 0.0014184600000000 ] - [ 0.0006374200000000, -0.0002087500000000, -0.0017397300000000 ] - [ -0.0019841200000000, 0.0030579500000000, 0.0014184600000000 ] - [ -0.0001379300000000, 0.0006563900000000, -0.0017397300000000 ] - [ -0.0016562000000000, -0.0032472800000000, 0.0014184600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1067490700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036490000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026668600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003687600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005756400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028629000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0055689000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0140194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000516800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028556000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031420500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106413400000000 ]- atom: 127 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011706200000000, -0.0004973600000000, -0.0005155500000000 ] - [ 0.0008378500000000, 0.0007009100000000, -0.0001316300000000 ] - [ 0.0010160400000000, -0.0007651100000000, -0.0005155500000000 ] - [ -0.0010259300000000, 0.0003751500000000, -0.0001316300000000 ] - [ 0.0001545800000000, 0.0012624700000000, -0.0005155500000000 ] - [ 0.0001880800000000, -0.0010760600000000, -0.0001316300000000 ] - [ 0.0022096500000000, 0.0038188800000000, -0.0079994200000000 ] - [ 0.0001655300000000, -0.0005314700000000, -0.0029241600000000 ] - [ -0.0044120700000000, 0.0000041700000000, -0.0079994200000000 ] - [ 0.0003775100000000, 0.0004090900000000, -0.0029241600000000 ] - [ 0.0022024200000000, -0.0038230500000000, -0.0079994200000000 ] - [ -0.0005430300000000, 0.0001223900000000, -0.0029241600000000 ] - [ 0.0014118800000000, 0.0001169900000000, -0.0006627300000000 ] - [ -0.0009122600000000, 0.0000211600000000, -0.0003911000000000 ] - [ -0.0008072500000000, 0.0011642300000000, -0.0006627300000000 ] - [ 0.0004378000000000, -0.0008006200000000, -0.0003911000000000 ] - [ -0.0006046300000000, -0.0012812200000000, -0.0006627300000000 ] - [ 0.0004744600000000, 0.0007794600000000, -0.0003911000000000 ] - [ -0.0000642400000000, 0.0002404800000000, -0.0002357400000000 ] - [ -0.0000475600000000, 0.0002742500000000, -0.0003834100000000 ] - [ -0.0001761400000000, -0.0001758800000000, -0.0002357400000000 ] - [ -0.0002137300000000, -0.0001783200000000, -0.0003834100000000 ] - [ 0.0002403800000000, -0.0000646000000000, -0.0002357400000000 ] - [ 0.0002612900000000, -0.0000959400000000, -0.0003834100000000 ] - [ 0.0056628800000000, 0.0032731100000000, 0.0035806900000000 ] - [ -0.0002565400000000, 0.0000235300000000, -0.0003768400000000 ] - [ -0.0056660300000000, 0.0032676400000000, 0.0035806900000000 ] - [ 0.0001078900000000, -0.0002339300000000, -0.0003768400000000 ] - [ 0.0000031600000000, -0.0065407500000000, 0.0035806900000000 ] - [ 0.0001486400000000, 0.0002104000000000, -0.0003768400000000 ] - [ 0.0000355700000000, -0.0004146400000000, -0.0022640300000000 ] - [ -0.0005118400000000, 0.0006988600000000, 0.0055702900000000 ] - [ 0.0003413100000000, 0.0002381300000000, -0.0022640300000000 ] - [ -0.0003493100000000, -0.0007927000000000, 0.0055702900000000 ] - [ -0.0003768800000000, 0.0001765200000000, -0.0022640300000000 ] - [ 0.0008611500000000, 0.0000938400000000, 0.0055702900000000 ] - [ -0.0002470800000000, -0.0001278800000000, 0.0007655900000000 ] - [ -0.0000014100000000, 0.0000822700000000, -0.0005279500000000 ] - [ 0.0002342900000000, -0.0001500400000000, 0.0007655900000000 ] - [ -0.0000705400000000, -0.0000423600000000, -0.0005279500000000 ] - [ 0.0000127900000000, 0.0002779200000000, 0.0007655900000000 ] - [ 0.0000719600000000, -0.0000399100000000, -0.0005279500000000 ] - [ -0.0035700400000000, 0.0057672300000000, 0.0002324400000000 ] - [ 0.0001423900000000, -0.0000052500000000, -0.0004829500000000 ] - [ -0.0032095500000000, -0.0059753600000000, 0.0002324400000000 ] - [ -0.0000666500000000, 0.0001259300000000, -0.0004829500000000 ] - [ 0.0067795900000000, 0.0002081300000000, 0.0002324400000000 ] - [ -0.0000757400000000, -0.0001206900000000, -0.0004829500000000 ] - [ -0.0001117300000000, 0.0000634400000000, -0.0003448000000000 ] - [ 0.0000339900000000, 0.0006642900000000, 0.0002381000000000 ] - [ 0.0000009300000000, -0.0001284800000000, -0.0003448000000000 ] - [ -0.0005922900000000, -0.0003027100000000, 0.0002381000000000 ] - [ 0.0001108100000000, 0.0000650400000000, -0.0003448000000000 ] - [ 0.0005583000000000, -0.0003615800000000, 0.0002381000000000 ] - [ 0.0000392900000000, -0.0003853100000000, -0.0020648700000000 ] - [ -0.0001507500000000, -0.0002048200000000, -0.0005327900000000 ] - [ 0.0003140500000000, 0.0002266800000000, -0.0020648700000000 ] - [ 0.0002527500000000, -0.0000281400000000, -0.0005327900000000 ] - [ -0.0003533400000000, 0.0001586300000000, -0.0020648700000000 ] - [ -0.0001020000000000, 0.0002329600000000, -0.0005327900000000 ] - [ -0.0001108300000000, 0.0000497000000000, -0.0005630400000000 ] - [ 0.0055291700000000, 0.0000334700000000, -0.0013938300000000 ] - [ 0.0000123700000000, -0.0001208400000000, -0.0005630400000000 ] - [ -0.0027935700000000, 0.0047716700000000, -0.0013938300000000 ] - [ 0.0000984600000000, 0.0000711300000000, -0.0005630400000000 ] - [ -0.0027356000000000, -0.0048051400000000, -0.0013938300000000 ] - [ 0.0000995600000000, 0.0000176000000000, -0.0004840300000000 ] - [ -0.0031670000000000, 0.0043325800000000, -0.0001726600000000 ] - [ -0.0000650200000000, 0.0000774300000000, -0.0004840300000000 ] - [ -0.0021686300000000, -0.0049089900000000, -0.0001726600000000 ] - [ -0.0000345400000000, -0.0000950200000000, -0.0004840300000000 ] - [ 0.0053356300000000, 0.0005764100000000, -0.0001726600000000 ] - [ 0.0003637300000000, 0.0004555100000000, 0.0016891100000000 ] - [ -0.0006883300000000, -0.0005092700000000, 0.0008089000000000 ] - [ -0.0005763400000000, 0.0000872400000000, 0.0016891100000000 ] - [ 0.0007852100000000, -0.0003414800000000, 0.0008089000000000 ] - [ 0.0002126200000000, -0.0005427500000000, 0.0016891100000000 ] - [ -0.0000968700000000, 0.0008507500000000, 0.0008089000000000 ] - [ -0.0009379300000000, -0.0002380300000000, 0.0008622200000000 ] - [ 0.0007124000000000, 0.0002648100000000, 0.0009905400000000 ] - [ 0.0006751100000000, -0.0006932500000000, 0.0008622200000000 ] - [ -0.0005855300000000, 0.0004845500000000, 0.0009905400000000 ] - [ 0.0002628200000000, 0.0009312900000000, 0.0008622200000000 ] - [ -0.0001268600000000, -0.0007493600000000, 0.0009905400000000 ] - [ -0.0010522100000000, -0.0005924900000000, 0.0039890600000000 ] - [ 0.0009345500000000, 0.0014326500000000, 0.0034608000000000 ] - [ 0.0010392200000000, -0.0006150000000000, 0.0039890600000000 ] - [ -0.0017079900000000, 0.0000930200000000, 0.0034608000000000 ] - [ 0.0000129900000000, 0.0012074900000000, 0.0039890600000000 ] - [ 0.0007734400000000, -0.0015256700000000, 0.0034608000000000 ] - [ 0.0019819800000000, 0.0029479500000000, -0.0150268600000000 ] - [ -0.0003492400000000, 0.0002312000000000, 0.0027398600000000 ] - [ -0.0035439800000000, 0.0002424700000000, -0.0150268600000000 ] - [ -0.0000256000000000, -0.0004180500000000, 0.0027398600000000 ] - [ 0.0015620100000000, -0.0031904100000000, -0.0150268600000000 ] - [ 0.0003748500000000, 0.0001868500000000, 0.0027398600000000 ] - [ 0.0018546500000000, -0.0035949400000000, -0.0018910400000000 ] - [ -0.0000571900000000, 0.0002444500000000, 0.0014725300000000 ] - [ 0.0021859800000000, 0.0034036500000000, -0.0018910400000000 ] - [ -0.0001831100000000, -0.0001717500000000, 0.0014725300000000 ] - [ -0.0040406400000000, 0.0001912900000000, -0.0018910400000000 ] - [ 0.0002403000000000, -0.0000727000000000, 0.0014725300000000 ] - [ -0.0004117000000000, 0.0036609600000000, -0.0035538700000000 ] - [ -0.0001109600000000, -0.0000040700000000, 0.0019037300000000 ] - [ -0.0029646300000000, -0.0021870200000000, -0.0035538700000000 ] - [ 0.0000590100000000, -0.0000940600000000, 0.0019037300000000 ] - [ 0.0033763300000000, -0.0014739400000000, -0.0035538700000000 ] - [ 0.0000519500000000, 0.0000981300000000, 0.0019037300000000 ] - [ -0.0003093800000000, 0.0001162700000000, 0.0020752700000000 ] - [ 0.0015807000000000, -0.0031312200000000, -0.0030351000000000 ] - [ 0.0000540000000000, -0.0003260700000000, 0.0020752700000000 ] - [ 0.0019213600000000, 0.0029345300000000, -0.0030351000000000 ] - [ 0.0002553800000000, 0.0002098000000000, 0.0020752700000000 ] - [ -0.0035020600000000, 0.0001966800000000, -0.0030351000000000 ] - [ 0.0000403300000000, 0.0002471600000000, 0.0019066600000000 ] - [ 0.0057898600000000, 0.0109952100000000, -0.0144100000000000 ] - [ -0.0002342100000000, -0.0000886500000000, 0.0019066600000000 ] - [ -0.0124170600000000, -0.0004834400000000, -0.0144100000000000 ] - [ 0.0001938800000000, -0.0001585000000000, 0.0019066600000000 ] - [ 0.0066272100000000, -0.0105117700000000, -0.0144100000000000 ] - [ -0.0000287600000000, 0.0001012300000000, 0.0018258500000000 ] - [ -0.0041709400000000, -0.0005314400000000, -0.0013210700000000 ] - [ -0.0000732900000000, -0.0000755200000000, 0.0018258500000000 ] - [ 0.0025457100000000, -0.0033464200000000, -0.0013210700000000 ] - [ 0.0001020500000000, -0.0000257100000000, 0.0018258500000000 ] - [ 0.0016252300000000, 0.0038778600000000, -0.0013210700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1076096200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030197300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020644600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002180300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004307000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018713900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0062159300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0145304000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005577700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034835500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037757100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099940500000000 ]- atom: 133 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0208168100000000, 0.0097853400000000, -0.0009732800000000 ] - [ 0.0000463800000000, 0.0001799900000000, 0.0000611100000000 ] - [ 0.0019178800000000, -0.0055958300000000, 0.0022981800000000 ] - [ -0.0001889700000000, -0.0000540100000000, 0.0000333600000000 ] - [ -0.0015037900000000, 0.0180645500000000, -0.0011276900000000 ] - [ 0.0001167300000000, -0.0001171800000000, 0.0000407100000000 ] - [ -0.0025721900000000, 0.0034107100000000, 0.0164389000000000 ] - [ -0.0000480500000000, -0.0001505900000000, -0.0003825400000000 ] - [ 0.0035709100000000, 0.0030407600000000, -0.0230551700000000 ] - [ 0.0000526300000000, -0.0000912200000000, 0.0000739500000000 ] - [ 0.0000441300000000, -0.0016643200000000, 0.0058867500000000 ] - [ -0.0000611600000000, 0.0002196500000000, -0.0003934900000000 ] - [ 0.0168470600000000, 0.0041223900000000, 0.0005625200000000 ] - [ -0.0000474900000000, 0.0001094700000000, -0.0001352100000000 ] - [ 0.0131638400000000, -0.0198028900000000, 0.0025342800000000 ] - [ -0.0000470200000000, -0.0001290300000000, -0.0001512400000000 ] - [ -0.0053108400000000, -0.0046971200000000, -0.0034749100000000 ] - [ 0.0001160700000000, -0.0000029200000000, -0.0001514300000000 ] - [ 0.0054403500000000, -0.0045042400000000, 0.0008911000000000 ] - [ 0.0000508300000000, 0.0002103600000000, -0.0000487400000000 ] - [ -0.0027152500000000, -0.0047076100000000, -0.0008201600000000 ] - [ -0.0002097800000000, -0.0001174300000000, -0.0000264500000000 ] - [ 0.0017271800000000, 0.0020643600000000, -0.0001876000000000 ] - [ 0.0001934500000000, -0.0001155000000000, -0.0000471700000000 ] - [ 0.0019494200000000, 0.0013111300000000, 0.0005199200000000 ] - [ 0.0000114100000000, 0.0003506200000000, -0.0002030100000000 ] - [ 0.0029966800000000, -0.0016009600000000, -0.0005937600000000 ] - [ 0.0000650800000000, -0.0000898800000000, 0.0002469000000000 ] - [ 0.0003444800000000, -0.0014311300000000, 0.0002169300000000 ] - [ 0.0000489500000000, -0.0002960200000000, 0.0001021200000000 ] - [ -0.0000884400000000, -0.0000672800000000, -0.0002190100000000 ] - [ -0.0001446900000000, -0.0001660700000000, -0.0000277600000000 ] - [ 0.0004245600000000, 0.0002273500000000, -0.0018700200000000 ] - [ 0.0001847800000000, 0.0000191500000000, -0.0001424200000000 ] - [ 0.0003199700000000, 0.0000706300000000, 0.0013548500000000 ] - [ 0.0000782600000000, 0.0000756400000000, -0.0005522000000000 ] - [ -0.0000846900000000, -0.0004859300000000, -0.0005282900000000 ] - [ 0.0000388300000000, 0.0000270900000000, -0.0000888900000000 ] - [ -0.0006182400000000, 0.0008697200000000, -0.0000162400000000 ] - [ -0.0001284600000000, 0.0000669600000000, -0.0001437200000000 ] - [ 0.0011879300000000, 0.0006709500000000, 0.0001112500000000 ] - [ 0.0003514800000000, 0.0002036600000000, -0.0002030500000000 ] - [ -0.0019839800000000, 0.0013560000000000, -0.0003385100000000 ] - [ -0.0002066200000000, 0.0003689000000000, 0.0000490700000000 ] - [ 0.0006661800000000, 0.0028061700000000, -0.0006955400000000 ] - [ -0.0000927200000000, 0.0001243200000000, 0.0001104300000000 ] - [ 0.0011539600000000, -0.0006175000000000, 0.0009190200000000 ] - [ 0.0002067300000000, -0.0002545600000000, -0.0002768200000000 ] - [ -0.0002574700000000, -0.0008812400000000, -0.0001807800000000 ] - [ 0.0000501100000000, 0.0001565000000000, 0.0000938500000000 ] - [ -0.0008787100000000, 0.0013361200000000, -0.0007673300000000 ] - [ -0.0002017000000000, 0.0000444000000000, 0.0001079800000000 ] - [ 0.0017349200000000, 0.0004027000000000, 0.0010822300000000 ] - [ 0.0002095900000000, -0.0000440300000000, -0.0000640000000000 ] - [ 0.0013674700000000, 0.0015643400000000, 0.0032899300000000 ] - [ -0.0001051800000000, -0.0001213800000000, -0.0003106800000000 ] - [ 0.0011764000000000, -0.0011183300000000, -0.0006889100000000 ] - [ 0.0001304300000000, -0.0000309200000000, -0.0002015000000000 ] - [ -0.0011666800000000, 0.0008296000000000, -0.0033182500000000 ] - [ -0.0000219700000000, 0.0001535400000000, -0.0001859500000000 ] - [ 0.0008648500000000, 0.0016370700000000, 0.0018459700000000 ] - [ -0.0000341500000000, 0.0002233600000000, -0.0004386800000000 ] - [ 0.0023863300000000, -0.0028531200000000, -0.0018900400000000 ] - [ 0.0000791800000000, -0.0003238700000000, -0.0000383500000000 ] - [ -0.0018990300000000, -0.0019208300000000, -0.0004047700000000 ] - [ -0.0000793800000000, -0.0001206800000000, 0.0000302000000000 ] - [ -0.0012053200000000, 0.0013209400000000, -0.0005447000000000 ] - [ -0.0001686600000000, 0.0003954400000000, 0.0000911100000000 ] - [ 0.0018081700000000, 0.0018155800000000, -0.0022657300000000 ] - [ -0.0000716000000000, 0.0000022300000000, 0.0001155300000000 ] - [ 0.0013261000000000, -0.0014402400000000, 0.0026948200000000 ] - [ 0.0001185900000000, -0.0002836000000000, -0.0003162200000000 ] - [ -0.0145492200000000, -0.0064458800000000, -0.0023712500000000 ] - [ -0.0003073500000000, -0.0001395100000000, 0.0002871900000000 ] - [ 0.0003710700000000, 0.0034547500000000, 0.0000875600000000 ] - [ 0.0002884100000000, -0.0001506100000000, 0.0002147500000000 ] - [ 0.0015088700000000, -0.0134126800000000, 0.0029533100000000 ] - [ 0.0000170900000000, 0.0003008600000000, 0.0001871100000000 ] - [ -0.0124513400000000, 0.0004128900000000, 0.0000091300000000 ] - [ -0.0000829700000000, -0.0000618900000000, 0.0000844500000000 ] - [ -0.0082800400000000, 0.0139365700000000, -0.0019403100000000 ] - [ 0.0000499900000000, 0.0000474200000000, 0.0001246100000000 ] - [ 0.0011897500000000, 0.0037345300000000, 0.0021737400000000 ] - [ -0.0000632600000000, 0.0000534900000000, 0.0000652200000000 ] - [ 0.0882258300000000, 0.0633569700000000, 0.0672891800000000 ] - [ -0.0002405100000000, -0.0001047600000000, 0.0001373700000000 ] - [ 0.1388376900000000, -0.0309808000000000, -0.0885722800000000 ] - [ 0.0003918300000000, -0.0001662900000000, -0.0002264600000000 ] - [ 0.0332059200000000, -0.0315855800000000, 0.0252583700000000 ] - [ 0.0000428600000000, 0.0002951200000000, 0.0001379400000000 ] - [ 0.0013302300000000, -0.0027051100000000, -0.0104324700000000 ] - [ 0.0001485800000000, -0.0003851900000000, 0.0005572100000000 ] - [ -0.0025488600000000, -0.0026082000000000, 0.0144365300000000 ] - [ 0.0001790700000000, -0.0002591000000000, -0.0003657100000000 ] - [ -0.0003979300000000, 0.0015999000000000, -0.0032270900000000 ] - [ 0.0003848300000000, 0.0005447000000000, 0.0005395900000000 ] - [ 0.0012354000000000, -0.0002147100000000, 0.0004267800000000 ] - [ 0.0000383200000000, -0.0001527100000000, -0.0001950500000000 ] - [ -0.0006576600000000, -0.0027844000000000, 0.0004236300000000 ] - [ -0.0000905100000000, -0.0002188900000000, 0.0001307700000000 ] - [ -0.0020277300000000, 0.0002494300000000, -0.0006263800000000 ] - [ -0.0001794000000000, 0.0000384100000000, 0.0003025300000000 ] - [ -0.0005261100000000, 0.0007782000000000, -0.0002234100000000 ] - [ -0.0003857800000000, -0.0000684600000000, -0.0000390600000000 ] - [ -0.0015099700000000, -0.0007268800000000, 0.0005082500000000 ] - [ -0.0001223100000000, -0.0003519500000000, 0.0011585500000000 ] - [ -0.0023697000000000, 0.0018285800000000, -0.0001134200000000 ] - [ -0.0005411400000000, 0.0005095000000000, -0.0009388200000000 ] - [ -0.0001284300000000, 0.0002209400000000, 0.0001467400000000 ] - [ -0.0001792400000000, -0.0001881300000000, 0.0000143700000000 ] - [ -0.0007173600000000, -0.0018195200000000, 0.0021949100000000 ] - [ 0.0001603800000000, -0.0002885200000000, 0.0000692800000000 ] - [ -0.0021792900000000, 0.0006014500000000, -0.0017824100000000 ] - [ -0.0000793500000000, 0.0003600000000000, 0.0004579700000000 ] - [ 0.0024269500000000, 0.0004699000000000, 0.0011528200000000 ] - [ 0.0004900400000000, -0.0004375800000000, 0.0004895600000000 ] - [ 0.0037523900000000, 0.0009466800000000, -0.0008380900000000 ] - [ -0.0000496600000000, 0.0001920800000000, -0.0004505700000000 ] - [ 0.0033463400000000, -0.0002462800000000, -0.0000607900000000 ] - [ 0.0006321800000000, 0.0005023200000000, 0.0003346300000000 ] - [ -0.0034516200000000, -0.0032806400000000, -0.0041647200000000 ] - [ -0.0004920600000000, -0.0004234600000000, 0.0001168000000000 ] - [ -0.0026987100000000, 0.0020701200000000, 0.0018484200000000 ] - [ 0.0000106600000000, -0.0000009800000000, 0.0000904800000000 ] - [ 0.0015137700000000, -0.0003194900000000, 0.0024674100000000 ] - [ 0.0000729200000000, 0.0002950900000000, -0.0000733900000000 ] - [ -0.0039472300000000, -0.0007386800000000, 0.0003082800000000 ] - [ -0.0040530500000000, 0.0000424500000000, 0.0003188800000000 ] - [ 0.0065108600000000, 0.0002767200000000, 0.0002926900000000 ] - [ 0.0001182400000000, -0.0000929300000000, 0.0003005500000000 ] - [ 0.0017812400000000, 0.0033127100000000, 0.0005097600000000 ] - [ 0.0000456400000000, -0.0001013700000000, 0.0004982800000000 ] - [ -0.2948752900000000, -0.0027186000000000, -0.0042051800000000 ] - [ -0.0002400200000000, -0.0000014500000000, -0.0003089600000000 ] - [ 0.0038191500000000, -0.0022432000000000, -0.0003059000000000 ] - [ 0.0006181800000000, -0.0003158500000000, -0.0003151000000000 ] - [ 0.0038158700000000, 0.0022512000000000, -0.0003243600000000 ] - [ 0.0006197100000000, 0.0003169800000000, -0.0003171700000000 ]- atom: 133 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0208418800000000, -0.0094407600000000, 0.0011288500000000 ] - [ 0.0000407900000000, 0.0001725300000000, 0.0000295100000000 ] - [ -0.0023770500000000, 0.0054984300000000, -0.0021863600000000 ] - [ -0.0001728000000000, -0.0000380600000000, 0.0000578200000000 ] - [ 0.0017777100000000, -0.0183599500000000, 0.0012559800000000 ] - [ 0.0001422400000000, -0.0001335300000000, 0.0000486200000000 ] - [ 0.0023414500000000, -0.0036085200000000, -0.0169278500000000 ] - [ -0.0001624200000000, -0.0000589300000000, -0.0000856600000000 ] - [ -0.0032872700000000, -0.0031121900000000, 0.0226883700000000 ] - [ 0.0002306900000000, 0.0000162400000000, -0.0005429700000000 ] - [ -0.0001787900000000, 0.0019439600000000, -0.0064906100000000 ] - [ -0.0000161900000000, 0.0000659600000000, -0.0000744700000000 ] - [ -0.0169012000000000, -0.0038370700000000, -0.0008154400000000 ] - [ -0.0000739700000000, 0.0001016000000000, -0.0001584600000000 ] - [ -0.0133557800000000, 0.0196673400000000, -0.0027645000000000 ] - [ -0.0000694500000000, -0.0000908400000000, -0.0001389200000000 ] - [ 0.0056298900000000, 0.0047974800000000, 0.0032020500000000 ] - [ 0.0001312700000000, 0.0000074100000000, -0.0001405500000000 ] - [ -0.0053948500000000, 0.0049436500000000, -0.0009649200000000 ] - [ -0.0000129000000000, 0.0002403600000000, -0.0000330300000000 ] - [ 0.0023181200000000, 0.0045459000000000, 0.0007429600000000 ] - [ -0.0001995900000000, -0.0000733800000000, -0.0000549200000000 ] - [ -0.0013419000000000, -0.0023278800000000, 0.0001054500000000 ] - [ 0.0001786800000000, -0.0001430500000000, -0.0000342100000000 ] - [ -0.0018651900000000, -0.0009551500000000, -0.0004226700000000 ] - [ 0.0000756200000000, 0.0000026300000000, 0.0003015400000000 ] - [ -0.0033697700000000, 0.0015145600000000, 0.0006927700000000 ] - [ -0.0004230500000000, -0.0000067700000000, -0.0001506000000000 ] - [ -0.0000853600000000, 0.0012015100000000, -0.0001262500000000 ] - [ 0.0002103100000000, 0.0000480700000000, -0.0000041200000000 ] - [ -0.0001307300000000, -0.0001346900000000, -0.0002575300000000 ] - [ -0.0000744100000000, -0.0000370000000000, -0.0004541300000000 ] - [ -0.0001415300000000, -0.0003122700000000, 0.0013828900000000 ] - [ 0.0000977500000000, -0.0001036300000000, -0.0003389700000000 ] - [ -0.0003936700000000, 0.0002206900000000, -0.0018603800000000 ] - [ -0.0001487700000000, 0.0002149500000000, 0.0000697300000000 ] - [ -0.0000425300000000, 0.0006928100000000, 0.0002379900000000 ] - [ -0.0001648000000000, 0.0001785400000000, -0.0002030600000000 ] - [ 0.0005103200000000, -0.0010893200000000, -0.0002751300000000 ] - [ 0.0000158200000000, -0.0002811300000000, -0.0001452300000000 ] - [ -0.0009442500000000, -0.0006611000000000, -0.0003961200000000 ] - [ -0.0001110700000000, -0.0001973800000000, -0.0000874200000000 ] - [ 0.0020313900000000, -0.0008963200000000, 0.0002575100000000 ] - [ 0.0002508300000000, 0.0000936000000000, -0.0001287200000000 ] - [ -0.0010857500000000, -0.0030094200000000, 0.0006192200000000 ] - [ -0.0003291100000000, -0.0003185300000000, -0.0001880000000000 ] - [ -0.0008005700000000, 0.0003427100000000, -0.0009915100000000 ] - [ 0.0001719700000000, -0.0000133400000000, 0.0001996200000000 ] - [ 0.0003243700000000, 0.0012241900000000, 0.0002767000000000 ] - [ 0.0000278600000000, 0.0001847900000000, -0.0000018400000000 ] - [ 0.0005353100000000, -0.0014294300000000, 0.0008601100000000 ] - [ -0.0001422300000000, -0.0001401100000000, -0.0000158200000000 ] - [ -0.0014855700000000, -0.0006497500000000, -0.0010019300000000 ] - [ 0.0000437900000000, -0.0001946800000000, 0.0001561500000000 ] - [ -0.0015896500000000, -0.0017944900000000, -0.0037979900000000 ] - [ -0.0001095600000000, -0.0000882400000000, -0.0001531900000000 ] - [ -0.0008962000000000, 0.0010317500000000, 0.0002223200000000 ] - [ 0.0001554400000000, -0.0000473300000000, -0.0002638800000000 ] - [ 0.0010886500000000, -0.0005407400000000, 0.0028570800000000 ] - [ -0.0000550800000000, 0.0001364200000000, -0.0002818900000000 ] - [ -0.0009613300000000, -0.0014322000000000, -0.0021476100000000 ] - [ -0.0001040600000000, -0.0000184000000000, 0.0001414400000000 ] - [ -0.0025068500000000, 0.0026368400000000, 0.0015835500000000 ] - [ -0.0001886500000000, 0.0001001900000000, -0.0002600800000000 ] - [ 0.0021535000000000, 0.0019441800000000, 0.0001152400000000 ] - [ 0.0003281100000000, 0.0001404900000000, -0.0003282300000000 ] - [ 0.0012369400000000, -0.0008366100000000, 0.0004841400000000 ] - [ 0.0002068800000000, 0.0000714200000000, -0.0001659400000000 ] - [ -0.0022330500000000, -0.0020246500000000, 0.0021736800000000 ] - [ -0.0003516800000000, -0.0002032300000000, -0.0001878400000000 ] - [ -0.0009307200000000, 0.0011752100000000, -0.0027731800000000 ] - [ 0.0002689400000000, 0.0000188700000000, 0.0002443700000000 ] - [ 0.0140162000000000, 0.0061715100000000, 0.0028305800000000 ] - [ -0.0002531100000000, -0.0001597900000000, 0.0001744300000000 ] - [ 0.0002525700000000, -0.0038216900000000, 0.0003558100000000 ] - [ 0.0002683300000000, -0.0001974500000000, 0.0002413500000000 ] - [ -0.0014968100000000, 0.0140990300000000, -0.0025168900000000 ] - [ 0.0000108400000000, 0.0003326300000000, 0.0002730500000000 ] - [ 0.0123751500000000, -0.0005848300000000, 0.0001490700000000 ] - [ 0.0000220400000000, -0.0000771600000000, 0.0000960600000000 ] - [ 0.0084435700000000, -0.0139592400000000, 0.0021016400000000 ] - [ 0.0000956400000000, -0.0000216200000000, 0.0000582600000000 ] - [ -0.0013299600000000, -0.0036945800000000, -0.0020080100000000 ] - [ -0.0000346800000000, 0.0000638300000000, 0.0001202700000000 ] - [ -0.0869991700000000, -0.0606671300000000, -0.0646686500000000 ] - [ -0.0003298000000000, -0.0002089700000000, -0.0001032900000000 ] - [ -0.1449733200000000, 0.0328690800000000, 0.0938108900000000 ] - [ 0.0001677200000000, -0.0001744400000000, 0.0002584400000000 ] - [ -0.0336212000000000, 0.0322888600000000, -0.0251060600000000 ] - [ -0.0000311900000000, 0.0003587600000000, -0.0001073900000000 ] - [ -0.0018810000000000, 0.0024702100000000, 0.0109528400000000 ] - [ -0.0006996400000000, 0.0001532000000000, -0.0000650700000000 ] - [ 0.0030422300000000, 0.0022418500000000, -0.0139928400000000 ] - [ 0.0003097700000000, -0.0001050300000000, 0.0008516700000000 ] - [ 0.0005099500000000, -0.0010094100000000, 0.0038164500000000 ] - [ -0.0003070500000000, 0.0000443100000000, -0.0000556300000000 ] - [ -0.0012747000000000, 0.0001253500000000, -0.0002741600000000 ] - [ -0.0000754200000000, 0.0000606000000000, 0.0003531300000000 ] - [ 0.0007458300000000, 0.0028157700000000, -0.0002704900000000 ] - [ 0.0001853600000000, 0.0002379000000000, 0.0000281300000000 ] - [ 0.0019743300000000, -0.0001689800000000, 0.0007687800000000 ] - [ 0.0001123600000000, 0.0000371700000000, -0.0001427100000000 ] - [ -0.0000096200000000, -0.0011385400000000, 0.0003360500000000 ] - [ -0.0001442100000000, -0.0002746100000000, 0.0001530300000000 ] - [ 0.0020799400000000, 0.0004331400000000, -0.0003968500000000 ] - [ 0.0006880700000000, 0.0000569600000000, -0.0010416700000000 ] - [ 0.0023476600000000, -0.0012085000000000, 0.0002312500000000 ] - [ 0.0005167800000000, 0.0001215000000000, 0.0010681100000000 ] - [ -0.0003779600000000, -0.0005230700000000, 0.0002119600000000 ] - [ -0.0003368700000000, -0.0000995100000000, 0.0003499900000000 ] - [ 0.0012368600000000, 0.0015072400000000, -0.0018268400000000 ] - [ 0.0003593100000000, -0.0000224200000000, 0.0002888100000000 ] - [ 0.0021979200000000, -0.0000148300000000, 0.0021737800000000 ] - [ 0.0000946700000000, 0.0002294900000000, -0.0000973900000000 ] - [ -0.0024673100000000, -0.0006087000000000, -0.0009586100000000 ] - [ -0.0005425900000000, 0.0003116000000000, -0.0002435500000000 ] - [ -0.0035323700000000, -0.0009046200000000, 0.0009118600000000 ] - [ 0.0001852100000000, -0.0001667100000000, 0.0007034500000000 ] - [ -0.0034124800000000, 0.0003601800000000, 0.0003025700000000 ] - [ -0.0007265400000000, -0.0003989700000000, -0.0000861700000000 ] - [ 0.0029303400000000, 0.0029659100000000, 0.0042956900000000 ] - [ -0.0000333300000000, 0.0000804700000000, -0.0000267000000000 ] - [ 0.0032689600000000, -0.0023526200000000, -0.0017559800000000 ] - [ 0.0005530700000000, -0.0002853000000000, -0.0000012800000000 ] - [ -0.0015517400000000, 0.0009543100000000, -0.0023895300000000 ] - [ -0.0001097800000000, 0.0003354400000000, 0.0001606900000000 ] - [ 0.0039696700000000, 0.0007294400000000, 0.0003086100000000 ] - [ 0.0040598200000000, -0.0000593400000000, 0.0003192900000000 ] - [ -0.0065330900000000, -0.0002192900000000, 0.0002927400000000 ] - [ -0.0001242900000000, 0.0000975600000000, 0.0003008300000000 ] - [ -0.0017773400000000, -0.0033498500000000, 0.0005099800000000 ] - [ -0.0000316700000000, 0.0000977200000000, 0.0004983400000000 ] - [ 0.3001818400000000, -0.0027177700000000, -0.0042689300000000 ] - [ 0.0002377800000000, -0.0000007800000000, -0.0003079500000000 ] - [ -0.0038220400000000, 0.0022780500000000, -0.0003050500000000 ] - [ -0.0006246600000000, 0.0003216600000000, -0.0003141100000000 ] - [ -0.0038259300000000, -0.0022700300000000, -0.0003233900000000 ] - [ -0.0006223100000000, -0.0003201400000000, -0.0003162700000000 ]- atom: 133 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0098361600000000, -0.0061533200000000, -0.0005760700000000 ] - [ 0.0003914800000000, 0.0003227200000000, 0.0005477700000000 ] - [ 0.0102470100000000, -0.0054417000000000, -0.0005760700000000 ] - [ -0.0004752300000000, 0.0001776700000000, 0.0005477700000000 ] - [ -0.0004108500000000, 0.0115950200000000, -0.0005760700000000 ] - [ 0.0000837500000000, -0.0005003900000000, 0.0005477700000000 ] - [ 0.0060406200000000, 0.0065036000000000, 0.0066563400000000 ] - [ -0.0002706500000000, 0.0004831400000000, 0.0029083600000000 ] - [ -0.0086525900000000, 0.0019795300000000, 0.0066563400000000 ] - [ -0.0002830900000000, -0.0004759600000000, 0.0029083600000000 ] - [ 0.0026119700000000, -0.0084831300000000, 0.0066563400000000 ] - [ 0.0005537400000000, -0.0000071800000000, 0.0029083600000000 ] - [ 0.0116815900000000, -0.0006496900000000, -0.0040571800000000 ] - [ -0.0003532500000000, 0.0001273300000000, 0.0003613300000000 ] - [ -0.0052781500000000, 0.0104414000000000, -0.0040571800000000 ] - [ 0.0000663600000000, -0.0003695900000000, 0.0003613300000000 ] - [ -0.0064034400000000, -0.0097917100000000, -0.0040571800000000 ] - [ 0.0002868900000000, 0.0002422600000000, 0.0003613300000000 ] - [ -0.0006216400000000, -0.0000363900000000, -0.0008640700000000 ] - [ -0.0000018900000000, 0.0003169600000000, 0.0004605200000000 ] - [ 0.0003423400000000, -0.0005201600000000, -0.0008640700000000 ] - [ -0.0002735500000000, -0.0001601200000000, 0.0004605200000000 ] - [ 0.0002793000000000, 0.0005565500000000, -0.0008640700000000 ] - [ 0.0002754400000000, -0.0001568400000000, 0.0004605200000000 ] - [ 0.0015405000000000, 0.0009281700000000, 0.0001660400000000 ] - [ -0.0004870900000000, -0.0006049000000000, 0.0004207800000000 ] - [ -0.0015740700000000, 0.0008700300000000, 0.0001660400000000 ] - [ 0.0007674000000000, -0.0001193900000000, 0.0004207800000000 ] - [ 0.0000335700000000, -0.0017982000000000, 0.0001660400000000 ] - [ -0.0002803100000000, 0.0007242800000000, 0.0004207800000000 ] - [ -0.0003123700000000, -0.0001291400000000, 0.0001448500000000 ] - [ -0.0002219700000000, 0.0002251300000000, 0.0019744400000000 ] - [ 0.0002680200000000, -0.0002059500000000, 0.0001448500000000 ] - [ -0.0000839800000000, -0.0003048000000000, 0.0019744400000000 ] - [ 0.0000443500000000, 0.0003350900000000, 0.0001448500000000 ] - [ 0.0003059500000000, 0.0000796700000000, 0.0019744400000000 ] - [ -0.0004062800000000, 0.0001570300000000, 0.0002850800000000 ] - [ -0.0000669600000000, -0.0000429000000000, 0.0003207200000000 ] - [ 0.0000671500000000, -0.0004303600000000, 0.0002850800000000 ] - [ 0.0000706300000000, -0.0000365400000000, 0.0003207200000000 ] - [ 0.0003391300000000, 0.0002733400000000, 0.0002850800000000 ] - [ -0.0000036700000000, 0.0000794300000000, 0.0003207200000000 ] - [ -0.0004263500000000, 0.0014144900000000, 0.0008710500000000 ] - [ 0.0002904100000000, -0.0005286200000000, 0.0007716600000000 ] - [ -0.0010118100000000, -0.0010764700000000, 0.0008710500000000 ] - [ 0.0003125900000000, 0.0005158100000000, 0.0007716600000000 ] - [ 0.0014381500000000, -0.0003380200000000, 0.0008710500000000 ] - [ -0.0006030000000000, 0.0000128100000000, 0.0007716600000000 ] - [ -0.0004903700000000, 0.0009026600000000, -0.0011029500000000 ] - [ 0.0002201100000000, 0.0002086600000000, 0.0005180900000000 ] - [ -0.0005365400000000, -0.0008760000000000, -0.0011029500000000 ] - [ -0.0002907600000000, 0.0000862900000000, 0.0005180900000000 ] - [ 0.0010269100000000, -0.0000266600000000, -0.0011029500000000 ] - [ 0.0000706500000000, -0.0002949500000000, 0.0005180900000000 ] - [ 0.0005570800000000, -0.0013197600000000, -0.0084767000000000 ] - [ -0.0002821100000000, 0.0003015800000000, 0.0022597800000000 ] - [ 0.0008644100000000, 0.0011423200000000, -0.0084767000000000 ] - [ -0.0001201200000000, -0.0003951100000000, 0.0022597800000000 ] - [ -0.0014214900000000, 0.0001774400000000, -0.0084767000000000 ] - [ 0.0004022300000000, 0.0000935200000000, 0.0022597800000000 ] - [ 0.0083458800000000, 0.0012345300000000, -0.0008752900000000 ] - [ -0.0002507000000000, 0.0001299400000000, 0.0003689600000000 ] - [ -0.0052420700000000, 0.0066104800000000, -0.0008752900000000 ] - [ 0.0000128200000000, -0.0002820900000000, 0.0003689600000000 ] - [ -0.0031038100000000, -0.0078450100000000, -0.0008752900000000 ] - [ 0.0002378800000000, 0.0001521500000000, 0.0003689600000000 ] - [ -0.0035172800000000, 0.0066849700000000, -0.0007219500000000 ] - [ 0.0000311300000000, 0.0002587400000000, 0.0005393300000000 ] - [ -0.0040307100000000, -0.0063885400000000, -0.0007219500000000 ] - [ -0.0002396400000000, -0.0001024100000000, 0.0005393300000000 ] - [ 0.0075479900000000, -0.0002964300000000, -0.0007219500000000 ] - [ 0.0002085100000000, -0.0001563300000000, 0.0005393300000000 ] - [ 0.0062454700000000, 0.0051801100000000, 0.0058413300000000 ] - [ -0.0003308400000000, -0.0004107500000000, -0.0021477500000000 ] - [ -0.0076088400000000, 0.0028186800000000, 0.0058413300000000 ] - [ 0.0005211400000000, -0.0000811400000000, -0.0021477500000000 ] - [ 0.0013633700000000, -0.0079987900000000, 0.0058413300000000 ] - [ -0.0001903000000000, 0.0004918900000000, -0.0021477500000000 ] - [ -0.0075249700000000, 0.0001427600000000, 0.0049553300000000 ] - [ 0.0001118200000000, -0.0002246400000000, -0.0016510600000000 ] - [ 0.0036388500000000, -0.0065882000000000, 0.0049553300000000 ] - [ 0.0001386400000000, 0.0002091600000000, -0.0016510600000000 ] - [ 0.0038861200000000, 0.0064454300000000, 0.0049553300000000 ] - [ -0.0002504600000000, 0.0000154800000000, -0.0016510600000000 ] - [ 0.0581947300000000, 0.0588011300000000, 0.0931411100000000 ] - [ -0.0003752400000000, -0.0005120000000000, -0.0027515900000000 ] - [ -0.0800206400000000, 0.0209975600000000, 0.0931411100000000 ] - [ 0.0006310300000000, -0.0000689700000000, -0.0027515900000000 ] - [ 0.0218259000000000, -0.0797986800000000, 0.0931411100000000 ] - [ -0.0002557800000000, 0.0005809700000000, -0.0027515900000000 ] - [ -0.0031029600000000, -0.0025349800000000, -0.0009390400000000 ] - [ 0.0001408400000000, 0.0007173600000000, -0.0035327300000000 ] - [ 0.0037468400000000, -0.0014197500000000, -0.0009390400000000 ] - [ -0.0006916700000000, -0.0002367100000000, -0.0035327300000000 ] - [ -0.0006438800000000, 0.0039547400000000, -0.0009390400000000 ] - [ 0.0005508300000000, -0.0004806500000000, -0.0035327300000000 ] - [ 0.0003238300000000, -0.0011860300000000, -0.0013086300000000 ] - [ -0.0000942800000000, 0.0006512800000000, -0.0012684100000000 ] - [ 0.0008652200000000, 0.0008734600000000, -0.0013086300000000 ] - [ -0.0005168800000000, -0.0004072900000000, -0.0012684100000000 ] - [ -0.0011890500000000, 0.0003125700000000, -0.0013086300000000 ] - [ 0.0006111600000000, -0.0002439900000000, -0.0012684100000000 ] - [ -0.0001265900000000, 0.0005610200000000, -0.0013873400000000 ] - [ -0.0005358100000000, -0.0007800900000000, -0.0010407300000000 ] - [ -0.0004225600000000, -0.0003901400000000, -0.0013873400000000 ] - [ 0.0009434800000000, -0.0000739800000000, -0.0010407300000000 ] - [ 0.0005491500000000, -0.0001708800000000, -0.0013873400000000 ] - [ -0.0004076800000000, 0.0008540700000000, -0.0010407300000000 ] - [ 0.0016376800000000, -0.0031774300000000, 0.0027378000000000 ] - [ -0.0002698000000000, -0.0002552100000000, -0.0020227000000000 ] - [ 0.0019329000000000, 0.0030069900000000, 0.0027378000000000 ] - [ 0.0003559200000000, -0.0001060500000000, -0.0020227000000000 ] - [ -0.0035705800000000, 0.0001704400000000, 0.0027378000000000 ] - [ -0.0000861200000000, 0.0003612600000000, -0.0020227000000000 ] - [ -0.0031564400000000, -0.0056118700000000, -0.0026126300000000 ] - [ 0.0000566200000000, -0.0001969000000000, -0.0019457600000000 ] - [ 0.0064382400000000, 0.0000723800000000, -0.0026126300000000 ] - [ 0.0001422100000000, 0.0001474800000000, -0.0019457600000000 ] - [ -0.0032818000000000, 0.0055394900000000, -0.0026126300000000 ] - [ -0.0001988300000000, 0.0000494200000000, -0.0019457600000000 ] - [ -0.0044687000000000, 0.0000469000000000, 0.0048119700000000 ] - [ -0.0003969600000000, -0.0005385700000000, -0.0022938400000000 ] - [ 0.0021937300000000, -0.0038934600000000, 0.0048119700000000 ] - [ 0.0006648900000000, -0.0000744900000000, -0.0022938400000000 ] - [ 0.0022749700000000, 0.0038465500000000, 0.0048119700000000 ] - [ -0.0002679400000000, 0.0006130600000000, -0.0022938400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0062238400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0145037800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099797900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037498800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036612700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3001106600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003299700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038971400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003702600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038864300000000 ]- atom: 133 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0099941300000000, 0.0065646500000000, 0.0006797100000000 ] - [ -0.0003006900000000, 0.0000303900000000, -0.0004587200000000 ] - [ -0.0106822100000000, 0.0053728400000000, 0.0006797100000000 ] - [ 0.0001240200000000, -0.0002756000000000, -0.0004587200000000 ] - [ 0.0006880900000000, -0.0119374900000000, 0.0006797100000000 ] - [ 0.0001766700000000, 0.0002452100000000, -0.0004587200000000 ] - [ -0.0061828100000000, -0.0066292000000000, -0.0071160000000000 ] - [ 0.0000631700000000, -0.0006970700000000, -0.0033962900000000 ] - [ 0.0088324600000000, -0.0020398600000000, -0.0071160000000000 ] - [ 0.0005721000000000, 0.0004032400000000, -0.0033962900000000 ] - [ -0.0026496600000000, 0.0086690700000000, -0.0071160000000000 ] - [ -0.0006352700000000, 0.0002938300000000, -0.0033962900000000 ] - [ -0.0118748600000000, 0.0008597800000000, 0.0037820600000000 ] - [ 0.0002305600000000, 0.0000847200000000, -0.0006553600000000 ] - [ 0.0051928400000000, -0.0107138200000000, 0.0037820600000000 ] - [ -0.0001886500000000, 0.0001573100000000, -0.0006553600000000 ] - [ 0.0066820200000000, 0.0098540400000000, 0.0037820600000000 ] - [ -0.0000419100000000, -0.0002420300000000, -0.0006553600000000 ] - [ 0.0006634900000000, 0.0004841200000000, 0.0007815100000000 ] - [ 0.0000413800000000, 0.0001335600000000, -0.0005435900000000 ] - [ -0.0007510100000000, 0.0003325400000000, 0.0007815100000000 ] - [ -0.0001363600000000, -0.0000309400000000, -0.0005435900000000 ] - [ 0.0000875100000000, -0.0008166600000000, 0.0007815100000000 ] - [ 0.0000949700000000, -0.0001026200000000, -0.0005435900000000 ] - [ -0.0014141000000000, -0.0005535000000000, -0.0000746200000000 ] - [ 0.0005881000000000, 0.0009701500000000, -0.0003224200000000 ] - [ 0.0011864000000000, -0.0009479000000000, -0.0000746200000000 ] - [ -0.0011342300000000, 0.0000242400000000, -0.0003224200000000 ] - [ 0.0002277000000000, 0.0015014000000000, -0.0000746200000000 ] - [ 0.0005461200000000, -0.0009943900000000, -0.0003224200000000 ] - [ 0.0000976300000000, -0.0000757800000000, -0.0006185200000000 ] - [ 0.0000079400000000, -0.0004339900000000, -0.0024760900000000 ] - [ 0.0000168100000000, 0.0001224400000000, -0.0006185200000000 ] - [ 0.0003718800000000, 0.0002238800000000, -0.0024760900000000 ] - [ -0.0001144400000000, -0.0000466600000000, -0.0006185200000000 ] - [ -0.0003798200000000, 0.0002101200000000, -0.0024760900000000 ] - [ 0.0002776300000000, 0.0000481400000000, -0.0005801100000000 ] - [ -0.0000599400000000, 0.0002504400000000, -0.0006124400000000 ] - [ -0.0001805000000000, 0.0002163700000000, -0.0005801100000000 ] - [ -0.0001869200000000, -0.0001771300000000, -0.0006124400000000 ] - [ -0.0000971300000000, -0.0002645000000000, -0.0005801100000000 ] - [ 0.0002468600000000, -0.0000733100000000, -0.0006124400000000 ] - [ 0.0004576500000000, -0.0009309300000000, -0.0009578700000000 ] - [ -0.0002499000000000, 0.0010005300000000, -0.0008547100000000 ] - [ 0.0005773800000000, 0.0008618000000000, -0.0009578700000000 ] - [ -0.0007415400000000, -0.0007166800000000, -0.0008547100000000 ] - [ -0.0010350300000000, 0.0000691200000000, -0.0009578700000000 ] - [ 0.0009914300000000, -0.0002838500000000, -0.0008547100000000 ] - [ 0.0005797500000000, -0.0005575800000000, 0.0012124300000000 ] - [ -0.0001372900000000, 0.0001325500000000, -0.0004268000000000 ] - [ 0.0001930100000000, 0.0007808700000000, 0.0012124300000000 ] - [ -0.0000461400000000, -0.0001851700000000, -0.0004268000000000 ] - [ -0.0007727600000000, -0.0002232900000000, 0.0012124300000000 ] - [ 0.0001834400000000, 0.0000526300000000, -0.0004268000000000 ] - [ -0.0007643200000000, 0.0011145100000000, 0.0080601200000000 ] - [ 0.0000706100000000, -0.0005135800000000, -0.0027363600000000 ] - [ -0.0005830300000000, -0.0012191700000000, 0.0080601200000000 ] - [ 0.0004094700000000, 0.0003179400000000, -0.0027363600000000 ] - [ 0.0013473500000000, 0.0001046600000000, 0.0080601200000000 ] - [ -0.0004800800000000, 0.0001956400000000, -0.0027363600000000 ] - [ -0.0085831300000000, -0.0010281600000000, 0.0006185900000000 ] - [ 0.0001071000000000, 0.0000757800000000, -0.0006672600000000 ] - [ 0.0051819800000000, -0.0069191300000000, 0.0006185900000000 ] - [ -0.0001191800000000, 0.0000548600000000, -0.0006672600000000 ] - [ 0.0034011600000000, 0.0079472900000000, 0.0006185900000000 ] - [ 0.0000120800000000, -0.0001306400000000, -0.0006672600000000 ] - [ 0.0036066700000000, -0.0062869200000000, 0.0006820300000000 ] - [ 0.0000097200000000, 0.0002030300000000, -0.0006136700000000 ] - [ 0.0036413000000000, 0.0062669200000000, 0.0006820300000000 ] - [ -0.0001806900000000, -0.0000931000000000, -0.0006136700000000 ] - [ -0.0072479600000000, 0.0000199900000000, 0.0006820300000000 ] - [ 0.0001709700000000, -0.0001099300000000, -0.0006136700000000 ] - [ -0.0068680500000000, -0.0055233100000000, -0.0054140100000000 ] - [ -0.0002387300000000, 0.0001114400000000, 0.0026163600000000 ] - [ 0.0082173500000000, -0.0031862500000000, -0.0054140100000000 ] - [ 0.0000228500000000, -0.0002624600000000, 0.0026163600000000 ] - [ -0.0013493000000000, 0.0087095600000000, -0.0054140100000000 ] - [ 0.0002158700000000, 0.0001510200000000, 0.0026163600000000 ] - [ 0.0075157200000000, -0.0002758900000000, -0.0047980700000000 ] - [ -0.0001706700000000, 0.0000820700000000, 0.0018393000000000 ] - [ -0.0035189300000000, 0.0066467500000000, -0.0047980700000000 ] - [ 0.0000142600000000, -0.0001888400000000, 0.0018393000000000 ] - [ -0.0039967900000000, -0.0063708600000000, -0.0047980700000000 ] - [ 0.0001564100000000, 0.0001067700000000, 0.0018393000000000 ] - [ -0.0564659600000000, -0.0567942400000000, -0.0917598300000000 ] - [ -0.0001981600000000, 0.0001961600000000, 0.0027955800000000 ] - [ 0.0774182400000000, -0.0205038300000000, -0.0917598300000000 ] - [ -0.0000708000000000, -0.0002697000000000, 0.0027955800000000 ] - [ -0.0209522800000000, 0.0772980800000000, -0.0917598300000000 ] - [ 0.0002689600000000, 0.0000735300000000, 0.0027955800000000 ] - [ 0.0025128800000000, 0.0022696800000000, 0.0014729300000000 ] - [ -0.0007041000000000, -0.0009651600000000, 0.0040487000000000 ] - [ -0.0032220400000000, 0.0010413800000000, 0.0014729300000000 ] - [ 0.0011879000000000, -0.0001271900000000, 0.0040487000000000 ] - [ 0.0007091600000000, -0.0033110600000000, 0.0014729300000000 ] - [ -0.0004838000000000, 0.0010923500000000, 0.0040487000000000 ] - [ -0.0003506800000000, 0.0010789800000000, 0.0014868900000000 ] - [ 0.0000601800000000, -0.0007555400000000, 0.0014260800000000 ] - [ -0.0007590800000000, -0.0008431900000000, 0.0014868900000000 ] - [ 0.0006242300000000, 0.0004298800000000, 0.0014260800000000 ] - [ 0.0011097700000000, -0.0002357900000000, 0.0014868900000000 ] - [ -0.0006844100000000, 0.0003256600000000, 0.0014260800000000 ] - [ -0.0004037700000000, -0.0008825400000000, 0.0015317800000000 ] - [ 0.0000030800000000, 0.0004429700000000, 0.0011541700000000 ] - [ 0.0009661900000000, 0.0000916000000000, 0.0015317800000000 ] - [ -0.0003851700000000, -0.0002188200000000, 0.0011541700000000 ] - [ -0.0005624200000000, 0.0007909500000000, 0.0015317800000000 ] - [ 0.0003820900000000, -0.0002241500000000, 0.0011541700000000 ] - [ -0.0021844200000000, 0.0029134700000000, -0.0024103000000000 ] - [ -0.0002554300000000, -0.0000286400000000, 0.0023992200000000 ] - [ -0.0014309300000000, -0.0033485000000000, -0.0024103000000000 ] - [ 0.0001525200000000, -0.0002068900000000, 0.0023992200000000 ] - [ 0.0036153500000000, 0.0004350300000000, -0.0024103000000000 ] - [ 0.0001029100000000, 0.0002355300000000, 0.0023992200000000 ] - [ 0.0031243900000000, 0.0055099800000000, 0.0027573100000000 ] - [ -0.0001024500000000, 0.0000725900000000, 0.0021943300000000 ] - [ -0.0063339800000000, -0.0000491900000000, 0.0027573100000000 ] - [ -0.0000116400000000, -0.0001250200000000, 0.0021943300000000 ] - [ 0.0032095900000000, -0.0054607900000000, 0.0027573100000000 ] - [ 0.0001140900000000, 0.0000524300000000, 0.0021943300000000 ] - [ 0.0039767300000000, -0.0003970400000000, -0.0047711000000000 ] - [ -0.0001259000000000, 0.0001946000000000, 0.0023924500000000 ] - [ -0.0016445200000000, 0.0036424600000000, -0.0047711000000000 ] - [ -0.0001055800000000, -0.0002063300000000, 0.0023924500000000 ] - [ -0.0023322100000000, -0.0032454300000000, -0.0047711000000000 ] - [ 0.0002314800000000, 0.0000117300000000, 0.0023924500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055739900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0140408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031627700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002210300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026750000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2955864200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045367100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009895900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045483100000000 ]