# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/154aabda-555d-4b05-8c4c-d2d357fd330a/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 NaNdSiO4 / Pna2_1 (33) / materials id 13774](https://mdr.nims.go.jp/datasets/cfecfb41-a24e-4ac5-8772-a7f912fb744a) ## 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: "Pna2_1" number: 33 Hall_symbol: "P 2c -2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 20.805979350000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.284789220000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.497383160000000 ] # c points: - symbol: O # 1 coordinates: [ 0.391202320000000, 0.927759380000000, 0.449554890000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.608797680000000, 0.072240620000000, 0.949554890000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.891202320000000, 0.572240620000000, 0.449554890000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.108797680000000, 0.427759380000000, 0.949554890000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.500525700000000, 0.941984780000000, 0.075757840000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.499474300000000, 0.058015220000000, 0.575757840000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.000525700000000, 0.558015220000000, 0.075757840000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.999474300000000, 0.441984780000000, 0.575757840000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.084278930000000, 0.692098420000000, 0.771462320000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.915721070000000, 0.307901580000000, 0.271462320000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.584278930000000, 0.807901580000000, 0.771462320000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.415721070000000, 0.192098420000000, 0.271462320000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.106788220000000, 0.657743840000000, 0.254122800000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.893211780000000, 0.342256160000000, 0.754122800000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.606788220000000, 0.842256160000000, 0.254122800000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.393211780000000, 0.157743840000000, 0.754122800000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.225772070000000, 0.576289140000000, 0.569614020000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.774227930000000, 0.423710860000000, 0.069614020000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.725772070000000, 0.923710860000000, 0.569614020000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.274227930000000, 0.076289140000000, 0.069614020000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.331740930000000, 0.559570200000000, 0.928451030000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.166922280000000, 0.939564970000000, 0.934299130000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.666922280000000, 0.560435030000000, 0.934299130000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.333077720000000, 0.439564970000000, 0.434299130000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.253664950000000, 0.804162930000000, 0.231695500000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.746335050000000, 0.195837070000000, 0.731695500000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.753664950000000, 0.695837070000000, 0.231695500000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.246335050000000, 0.304162930000000, 0.731695500000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.273774190000000, 0.854695440000000, 0.752559150000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.726225810000000, 0.145304560000000, 0.252559150000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.773774190000000, 0.645304560000000, 0.752559150000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.226225810000000, 0.354695440000000, 0.252559150000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.056690070000000, 0.926994320000000, 0.461193640000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.943309930000000, 0.073005680000000, 0.961193640000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.556690070000000, 0.573005680000000, 0.461193640000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.443309930000000, 0.426994320000000, 0.961193640000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.076091460000000, 0.163265750000000, 0.732739070000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.923908540000000, 0.836734250000000, 0.232739070000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.576091460000000, 0.336734250000000, 0.732739070000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.423908540000000, 0.663265750000000, 0.232739070000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.067966290000000, 0.189794580000000, 0.247904930000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.932033710000000, 0.810205420000000, 0.747904930000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.567966290000000, 0.310205420000000, 0.247904930000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.432033710000000, 0.689794580000000, 0.747904930000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.168259070000000, 0.059570200000000, 0.428451030000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.831740930000000, 0.940429800000000, 0.928451030000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.668259070000000, 0.440429800000000, 0.428451030000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.833077720000000, 0.060435030000000, 0.434299130000000 ] mass: 15.999400 - symbol: Na # 49 coordinates: [ 0.055216040000000, 0.931932410000000, 0.957091280000000 ] mass: 22.989769 - symbol: Na # 50 coordinates: [ 0.944783960000000, 0.068067590000000, 0.457091280000000 ] mass: 22.989769 - symbol: Na # 51 coordinates: [ 0.555216040000000, 0.568067590000000, 0.957091280000000 ] mass: 22.989769 - symbol: Na # 52 coordinates: [ 0.444783960000000, 0.431932410000000, 0.457091280000000 ] mass: 22.989769 - symbol: Na # 53 coordinates: [ 0.222510640000000, 0.575066100000000, 0.017452370000000 ] mass: 22.989769 - symbol: Na # 54 coordinates: [ 0.777489360000000, 0.424933900000000, 0.517452370000000 ] mass: 22.989769 - symbol: Na # 55 coordinates: [ 0.722510640000000, 0.924933900000000, 0.017452370000000 ] mass: 22.989769 - symbol: Na # 56 coordinates: [ 0.277489360000000, 0.075066100000000, 0.517452370000000 ] mass: 22.989769 - symbol: Na # 57 coordinates: [ 0.390251650000000, 0.927460580000000, 0.004636880000000 ] mass: 22.989769 - symbol: Na # 58 coordinates: [ 0.609748350000000, 0.072539420000000, 0.504636880000000 ] mass: 22.989769 - symbol: Na # 59 coordinates: [ 0.890251650000000, 0.572539420000000, 0.004636880000000 ] mass: 22.989769 - symbol: Na # 60 coordinates: [ 0.109748350000000, 0.427460580000000, 0.504636880000000 ] mass: 22.989769 - symbol: Si # 61 coordinates: [ 0.076657020000000, 0.585353390000000, 0.006128410000000 ] mass: 28.085500 - symbol: Si # 62 coordinates: [ 0.923342980000000, 0.414646610000000, 0.506128410000000 ] mass: 28.085500 - symbol: Si # 63 coordinates: [ 0.576657020000000, 0.914646610000000, 0.006128410000000 ] mass: 28.085500 - symbol: Si # 64 coordinates: [ 0.423342980000000, 0.085353390000000, 0.506128410000000 ] mass: 28.085500 - symbol: Si # 65 coordinates: [ 0.243213110000000, 0.917316450000000, 0.006363240000000 ] mass: 28.085500 - symbol: Si # 66 coordinates: [ 0.756786890000000, 0.082683550000000, 0.506363240000000 ] mass: 28.085500 - symbol: Si # 67 coordinates: [ 0.743213110000000, 0.582683550000000, 0.006363240000000 ] mass: 28.085500 - symbol: Si # 68 coordinates: [ 0.256786890000000, 0.417316450000000, 0.506363240000000 ] mass: 28.085500 - symbol: Si # 69 coordinates: [ 0.408853770000000, 0.586172650000000, 0.971960020000000 ] mass: 28.085500 - symbol: Si # 70 coordinates: [ 0.591146230000000, 0.413827350000000, 0.471960020000000 ] mass: 28.085500 - symbol: Si # 71 coordinates: [ 0.908853770000000, 0.913827350000000, 0.971960020000000 ] mass: 28.085500 - symbol: Si # 72 coordinates: [ 0.091146230000000, 0.086172650000000, 0.471960020000000 ] mass: 28.085500 - symbol: Nd # 73 coordinates: [ 0.166583810000000, 0.804173140000000, 0.528699390000000 ] mass: 144.242000 - symbol: Nd # 74 coordinates: [ 0.833416190000000, 0.195826860000000, 0.028699390000000 ] mass: 144.242000 - symbol: Nd # 75 coordinates: [ 0.666583810000000, 0.695826860000000, 0.528699390000000 ] mass: 144.242000 - symbol: Nd # 76 coordinates: [ 0.333416190000000, 0.304173140000000, 0.028699390000000 ] mass: 144.242000 - symbol: Nd # 77 coordinates: [ 0.332923740000000, 0.698580720000000, 0.510650300000000 ] mass: 144.242000 - symbol: Nd # 78 coordinates: [ 0.667076260000000, 0.301419280000000, 0.010650300000000 ] mass: 144.242000 - symbol: Nd # 79 coordinates: [ 0.832923740000000, 0.801419280000000, 0.510650300000000 ] mass: 144.242000 - symbol: Nd # 80 coordinates: [ 0.167076260000000, 0.198580720000000, 0.010650300000000 ] mass: 144.242000 - symbol: Nd # 81 coordinates: [ 0.499884300000000, 0.804097490000000, 0.461663770000000 ] mass: 144.242000 - symbol: Nd # 82 coordinates: [ 0.500115700000000, 0.195902510000000, 0.961663770000000 ] mass: 144.242000 - symbol: Nd # 83 coordinates: [ 0.999884300000000, 0.695902510000000, 0.461663770000000 ] mass: 144.242000 - symbol: Nd # 84 coordinates: [ 0.000115700000000, 0.304097490000000, 0.961663770000000 ] mass: 144.242000 reciprocal_lattice: # without 2pi - [ 0.048063106435795, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.107703037334002, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.181904730104350 ] # c*unit_cell: lattice: - [ 20.805979350000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.284789220000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.497383160000000 ] # c points: - symbol: O # 1 coordinates: [ 0.391202320000000, 0.927759380000000, 0.449554890000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.608797680000000, 0.072240620000000, 0.949554890000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.891202320000000, 0.572240620000000, 0.449554890000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.108797680000000, 0.427759380000000, 0.949554890000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.500525700000000, 0.941984780000000, 0.075757840000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.499474300000000, 0.058015220000000, 0.575757840000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.000525700000000, 0.558015220000000, 0.075757840000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.999474300000000, 0.441984780000000, 0.575757840000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.084278930000000, 0.692098420000000, 0.771462320000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.915721070000000, 0.307901580000000, 0.271462320000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.584278930000000, 0.807901580000000, 0.771462320000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.415721070000000, 0.192098420000000, 0.271462320000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.106788220000000, 0.657743840000000, 0.254122800000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.893211780000000, 0.342256160000000, 0.754122800000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.606788220000000, 0.842256160000000, 0.254122800000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.393211780000000, 0.157743840000000, 0.754122800000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.225772070000000, 0.576289140000000, 0.569614020000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.774227930000000, 0.423710860000000, 0.069614020000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.725772070000000, 0.923710860000000, 0.569614020000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.274227930000000, 0.076289140000000, 0.069614020000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.331740930000000, 0.559570200000000, 0.928451030000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.166922280000000, 0.939564970000000, 0.934299130000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.666922280000000, 0.560435030000000, 0.934299130000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.333077720000000, 0.439564970000000, 0.434299130000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.253664950000000, 0.804162930000000, 0.231695500000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.746335050000000, 0.195837070000000, 0.731695500000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.753664950000000, 0.695837070000000, 0.231695500000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.246335050000000, 0.304162930000000, 0.731695500000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.273774190000000, 0.854695440000000, 0.752559150000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.726225810000000, 0.145304560000000, 0.252559150000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.773774190000000, 0.645304560000000, 0.752559150000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.226225810000000, 0.354695440000000, 0.252559150000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.056690070000000, 0.926994320000000, 0.461193640000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.943309930000000, 0.073005680000000, 0.961193640000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.556690070000000, 0.573005680000000, 0.461193640000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.443309930000000, 0.426994320000000, 0.961193640000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.076091460000000, 0.163265750000000, 0.732739070000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.923908540000000, 0.836734250000000, 0.232739070000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.576091460000000, 0.336734250000000, 0.732739070000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.423908540000000, 0.663265750000000, 0.232739070000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.067966290000000, 0.189794580000000, 0.247904930000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.932033710000000, 0.810205420000000, 0.747904930000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.567966290000000, 0.310205420000000, 0.247904930000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.432033710000000, 0.689794580000000, 0.747904930000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.168259070000000, 0.059570200000000, 0.428451030000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.831740930000000, 0.940429800000000, 0.928451030000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.668259070000000, 0.440429800000000, 0.428451030000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.833077720000000, 0.060435030000000, 0.434299130000000 ] mass: 15.999400 reduced_to: 48 - symbol: Na # 49 coordinates: [ 0.055216040000000, 0.931932410000000, 0.957091280000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 50 coordinates: [ 0.944783960000000, 0.068067590000000, 0.457091280000000 ] mass: 22.989769 reduced_to: 50 - symbol: Na # 51 coordinates: [ 0.555216040000000, 0.568067590000000, 0.957091280000000 ] mass: 22.989769 reduced_to: 51 - symbol: Na # 52 coordinates: [ 0.444783960000000, 0.431932410000000, 0.457091280000000 ] mass: 22.989769 reduced_to: 52 - symbol: Na # 53 coordinates: [ 0.222510640000000, 0.575066100000000, 0.017452370000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 54 coordinates: [ 0.777489360000000, 0.424933900000000, 0.517452370000000 ] mass: 22.989769 reduced_to: 54 - symbol: Na # 55 coordinates: [ 0.722510640000000, 0.924933900000000, 0.017452370000000 ] mass: 22.989769 reduced_to: 55 - symbol: Na # 56 coordinates: [ 0.277489360000000, 0.075066100000000, 0.517452370000000 ] mass: 22.989769 reduced_to: 56 - symbol: Na # 57 coordinates: [ 0.390251650000000, 0.927460580000000, 0.004636880000000 ] mass: 22.989769 reduced_to: 57 - symbol: Na # 58 coordinates: [ 0.609748350000000, 0.072539420000000, 0.504636880000000 ] mass: 22.989769 reduced_to: 58 - symbol: Na # 59 coordinates: [ 0.890251650000000, 0.572539420000000, 0.004636880000000 ] mass: 22.989769 reduced_to: 59 - symbol: Na # 60 coordinates: [ 0.109748350000000, 0.427460580000000, 0.504636880000000 ] mass: 22.989769 reduced_to: 60 - symbol: Si # 61 coordinates: [ 0.076657020000000, 0.585353390000000, 0.006128410000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.923342980000000, 0.414646610000000, 0.506128410000000 ] mass: 28.085500 reduced_to: 62 - symbol: Si # 63 coordinates: [ 0.576657020000000, 0.914646610000000, 0.006128410000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.423342980000000, 0.085353390000000, 0.506128410000000 ] mass: 28.085500 reduced_to: 64 - symbol: Si # 65 coordinates: [ 0.243213110000000, 0.917316450000000, 0.006363240000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 66 coordinates: [ 0.756786890000000, 0.082683550000000, 0.506363240000000 ] mass: 28.085500 reduced_to: 66 - symbol: Si # 67 coordinates: [ 0.743213110000000, 0.582683550000000, 0.006363240000000 ] mass: 28.085500 reduced_to: 67 - symbol: Si # 68 coordinates: [ 0.256786890000000, 0.417316450000000, 0.506363240000000 ] mass: 28.085500 reduced_to: 68 - symbol: Si # 69 coordinates: [ 0.408853770000000, 0.586172650000000, 0.971960020000000 ] mass: 28.085500 reduced_to: 69 - symbol: Si # 70 coordinates: [ 0.591146230000000, 0.413827350000000, 0.471960020000000 ] mass: 28.085500 reduced_to: 70 - symbol: Si # 71 coordinates: [ 0.908853770000000, 0.913827350000000, 0.971960020000000 ] mass: 28.085500 reduced_to: 71 - symbol: Si # 72 coordinates: [ 0.091146230000000, 0.086172650000000, 0.471960020000000 ] mass: 28.085500 reduced_to: 72 - symbol: Nd # 73 coordinates: [ 0.166583810000000, 0.804173140000000, 0.528699390000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 74 coordinates: [ 0.833416190000000, 0.195826860000000, 0.028699390000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 75 coordinates: [ 0.666583810000000, 0.695826860000000, 0.528699390000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 76 coordinates: [ 0.333416190000000, 0.304173140000000, 0.028699390000000 ] mass: 144.242000 reduced_to: 76 - symbol: Nd # 77 coordinates: [ 0.332923740000000, 0.698580720000000, 0.510650300000000 ] mass: 144.242000 reduced_to: 77 - symbol: Nd # 78 coordinates: [ 0.667076260000000, 0.301419280000000, 0.010650300000000 ] mass: 144.242000 reduced_to: 78 - symbol: Nd # 79 coordinates: [ 0.832923740000000, 0.801419280000000, 0.510650300000000 ] mass: 144.242000 reduced_to: 79 - symbol: Nd # 80 coordinates: [ 0.167076260000000, 0.198580720000000, 0.010650300000000 ] mass: 144.242000 reduced_to: 80 - symbol: Nd # 81 coordinates: [ 0.499884300000000, 0.804097490000000, 0.461663770000000 ] mass: 144.242000 reduced_to: 81 - symbol: Nd # 82 coordinates: [ 0.500115700000000, 0.195902510000000, 0.961663770000000 ] mass: 144.242000 reduced_to: 82 - symbol: Nd # 83 coordinates: [ 0.999884300000000, 0.695902510000000, 0.461663770000000 ] mass: 144.242000 reduced_to: 83 - symbol: Nd # 84 coordinates: [ 0.000115700000000, 0.304097490000000, 0.961663770000000 ] mass: 144.242000 reduced_to: 84supercell: lattice: - [ 20.805979350000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.284789220000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.497383160000000 ] # c points: - symbol: O # 1 coordinates: [ 0.391202320000000, 0.927759380000000, 0.449554890000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.608797680000000, 0.072240620000000, 0.949554890000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.891202320000000, 0.572240620000000, 0.449554890000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.108797680000000, 0.427759380000000, 0.949554890000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.500525700000000, 0.941984780000000, 0.075757840000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.499474300000000, 0.058015220000000, 0.575757840000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.000525700000000, 0.558015220000000, 0.075757840000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.999474300000000, 0.441984780000000, 0.575757840000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.084278930000000, 0.692098420000000, 0.771462320000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.915721070000000, 0.307901580000000, 0.271462320000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.584278930000000, 0.807901580000000, 0.771462320000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.415721070000000, 0.192098420000000, 0.271462320000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.106788220000000, 0.657743840000000, 0.254122800000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.893211780000000, 0.342256160000000, 0.754122800000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.606788220000000, 0.842256160000000, 0.254122800000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.393211780000000, 0.157743840000000, 0.754122800000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.225772070000000, 0.576289140000000, 0.569614020000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.774227930000000, 0.423710860000000, 0.069614020000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.725772070000000, 0.923710860000000, 0.569614020000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.274227930000000, 0.076289140000000, 0.069614020000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.331740930000000, 0.559570200000000, 0.928451030000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.166922280000000, 0.939564970000000, 0.934299130000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.666922280000000, 0.560435030000000, 0.934299130000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.333077720000000, 0.439564970000000, 0.434299130000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.253664950000000, 0.804162930000000, 0.231695500000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.746335050000000, 0.195837070000000, 0.731695500000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.753664950000000, 0.695837070000000, 0.231695500000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.246335050000000, 0.304162930000000, 0.731695500000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.273774190000000, 0.854695440000000, 0.752559150000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.726225810000000, 0.145304560000000, 0.252559150000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.773774190000000, 0.645304560000000, 0.752559150000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.226225810000000, 0.354695440000000, 0.252559150000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.056690070000000, 0.926994320000000, 0.461193640000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.943309930000000, 0.073005680000000, 0.961193640000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.556690070000000, 0.573005680000000, 0.461193640000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.443309930000000, 0.426994320000000, 0.961193640000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.076091460000000, 0.163265750000000, 0.732739070000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.923908540000000, 0.836734250000000, 0.232739070000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.576091460000000, 0.336734250000000, 0.732739070000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.423908540000000, 0.663265750000000, 0.232739070000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.067966290000000, 0.189794580000000, 0.247904930000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.932033710000000, 0.810205420000000, 0.747904930000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.567966290000000, 0.310205420000000, 0.247904930000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.432033710000000, 0.689794580000000, 0.747904930000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.168259070000000, 0.059570200000000, 0.428451030000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.831740930000000, 0.940429800000000, 0.928451030000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.668259070000000, 0.440429800000000, 0.428451030000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.833077720000000, 0.060435030000000, 0.434299130000000 ] mass: 15.999400 reduced_to: 48 - symbol: Na # 49 coordinates: [ 0.055216040000000, 0.931932410000000, 0.957091280000000 ] mass: 22.989769 reduced_to: 49 - symbol: Na # 50 coordinates: [ 0.944783960000000, 0.068067590000000, 0.457091280000000 ] mass: 22.989769 reduced_to: 50 - symbol: Na # 51 coordinates: [ 0.555216040000000, 0.568067590000000, 0.957091280000000 ] mass: 22.989769 reduced_to: 51 - symbol: Na # 52 coordinates: [ 0.444783960000000, 0.431932410000000, 0.457091280000000 ] mass: 22.989769 reduced_to: 52 - symbol: Na # 53 coordinates: [ 0.222510640000000, 0.575066100000000, 0.017452370000000 ] mass: 22.989769 reduced_to: 53 - symbol: Na # 54 coordinates: [ 0.777489360000000, 0.424933900000000, 0.517452370000000 ] mass: 22.989769 reduced_to: 54 - symbol: Na # 55 coordinates: [ 0.722510640000000, 0.924933900000000, 0.017452370000000 ] mass: 22.989769 reduced_to: 55 - symbol: Na # 56 coordinates: [ 0.277489360000000, 0.075066100000000, 0.517452370000000 ] mass: 22.989769 reduced_to: 56 - symbol: Na # 57 coordinates: [ 0.390251650000000, 0.927460580000000, 0.004636880000000 ] mass: 22.989769 reduced_to: 57 - symbol: Na # 58 coordinates: [ 0.609748350000000, 0.072539420000000, 0.504636880000000 ] mass: 22.989769 reduced_to: 58 - symbol: Na # 59 coordinates: [ 0.890251650000000, 0.572539420000000, 0.004636880000000 ] mass: 22.989769 reduced_to: 59 - symbol: Na # 60 coordinates: [ 0.109748350000000, 0.427460580000000, 0.504636880000000 ] mass: 22.989769 reduced_to: 60 - symbol: Si # 61 coordinates: [ 0.076657020000000, 0.585353390000000, 0.006128410000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.923342980000000, 0.414646610000000, 0.506128410000000 ] mass: 28.085500 reduced_to: 62 - symbol: Si # 63 coordinates: [ 0.576657020000000, 0.914646610000000, 0.006128410000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.423342980000000, 0.085353390000000, 0.506128410000000 ] mass: 28.085500 reduced_to: 64 - symbol: Si # 65 coordinates: [ 0.243213110000000, 0.917316450000000, 0.006363240000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 66 coordinates: [ 0.756786890000000, 0.082683550000000, 0.506363240000000 ] mass: 28.085500 reduced_to: 66 - symbol: Si # 67 coordinates: [ 0.743213110000000, 0.582683550000000, 0.006363240000000 ] mass: 28.085500 reduced_to: 67 - symbol: Si # 68 coordinates: [ 0.256786890000000, 0.417316450000000, 0.506363240000000 ] mass: 28.085500 reduced_to: 68 - symbol: Si # 69 coordinates: [ 0.408853770000000, 0.586172650000000, 0.971960020000000 ] mass: 28.085500 reduced_to: 69 - symbol: Si # 70 coordinates: [ 0.591146230000000, 0.413827350000000, 0.471960020000000 ] mass: 28.085500 reduced_to: 70 - symbol: Si # 71 coordinates: [ 0.908853770000000, 0.913827350000000, 0.971960020000000 ] mass: 28.085500 reduced_to: 71 - symbol: Si # 72 coordinates: [ 0.091146230000000, 0.086172650000000, 0.471960020000000 ] mass: 28.085500 reduced_to: 72 - symbol: Nd # 73 coordinates: [ 0.166583810000000, 0.804173140000000, 0.528699390000000 ] mass: 144.242000 reduced_to: 73 - symbol: Nd # 74 coordinates: [ 0.833416190000000, 0.195826860000000, 0.028699390000000 ] mass: 144.242000 reduced_to: 74 - symbol: Nd # 75 coordinates: [ 0.666583810000000, 0.695826860000000, 0.528699390000000 ] mass: 144.242000 reduced_to: 75 - symbol: Nd # 76 coordinates: [ 0.333416190000000, 0.304173140000000, 0.028699390000000 ] mass: 144.242000 reduced_to: 76 - symbol: Nd # 77 coordinates: [ 0.332923740000000, 0.698580720000000, 0.510650300000000 ] mass: 144.242000 reduced_to: 77 - symbol: Nd # 78 coordinates: [ 0.667076260000000, 0.301419280000000, 0.010650300000000 ] mass: 144.242000 reduced_to: 78 - symbol: Nd # 79 coordinates: [ 0.832923740000000, 0.801419280000000, 0.510650300000000 ] mass: 144.242000 reduced_to: 79 - symbol: Nd # 80 coordinates: [ 0.167076260000000, 0.198580720000000, 0.010650300000000 ] mass: 144.242000 reduced_to: 80 - symbol: Nd # 81 coordinates: [ 0.499884300000000, 0.804097490000000, 0.461663770000000 ] mass: 144.242000 reduced_to: 81 - symbol: Nd # 82 coordinates: [ 0.500115700000000, 0.195902510000000, 0.961663770000000 ] mass: 144.242000 reduced_to: 82 - symbol: Nd # 83 coordinates: [ 0.999884300000000, 0.695902510000000, 0.461663770000000 ] mass: 144.242000 reduced_to: 83 - symbol: Nd # 84 coordinates: [ 0.000115700000000, 0.304097490000000, 0.961663770000000 ] mass: 144.242000 reduced_to: 84displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1176691400000000, -0.1024753500000000, -0.0190777300000000 ] - [ 0.0016565100000000, 0.0015511500000000, 0.0006056800000000 ] - [ 0.0021666000000000, -0.0006447800000000, 0.0000564700000000 ] - [ 0.0011880900000000, 0.0000318600000000, 0.0000448500000000 ] - [ 0.0032732200000000, 0.0008268300000000, -0.0038497900000000 ] - [ 0.0188114200000000, 0.0208603900000000, 0.0108543000000000 ] - [ 0.0022636400000000, -0.0000307200000000, -0.0002477500000000 ] - [ 0.0013733000000000, 0.0005016900000000, 0.0001769100000000 ] - [ 0.0021013800000000, 0.0006337400000000, -0.0000697600000000 ] - [ 0.0017288500000000, 0.0003864300000000, 0.0001250700000000 ] - [ 0.0026087300000000, -0.0008540900000000, 0.0012553200000000 ] - [ -0.0115352400000000, 0.0049891600000000, -0.0010952700000000 ] - [ 0.0021323200000000, 0.0007479600000000, 0.0004648100000000 ] - [ 0.0019263900000000, 0.0004441800000000, -0.0002984000000000 ] - [ 0.0030121800000000, -0.0000839100000000, -0.0006582300000000 ] - [ -0.0126449000000000, -0.0023260300000000, -0.0023803800000000 ] - [ 0.0015006800000000, 0.0019525100000000, -0.0001004600000000 ] - [ 0.0015344900000000, -0.0004283100000000, 0.0001004100000000 ] - [ 0.0024381400000000, 0.0005127600000000, -0.0000844800000000 ] - [ 0.0009986800000000, -0.0041649800000000, 0.0018757000000000 ] - [ -0.0050305500000000, 0.0006228000000000, -0.0014518900000000 ] - [ 0.0029658600000000, -0.0012300200000000, -0.0003192300000000 ] - [ 0.0016979500000000, -0.0004258400000000, -0.0000421800000000 ] - [ -0.0022867100000000, 0.0048584000000000, 0.0011824500000000 ] - [ 0.0048164700000000, 0.0022955200000000, 0.0005422900000000 ] - [ 0.0018990700000000, -0.0002305100000000, -0.0001986400000000 ] - [ 0.0017476500000000, 0.0000984100000000, -0.0002924600000000 ] - [ -0.0007785900000000, -0.0004342200000000, -0.0009427700000000 ] - [ 0.0071084400000000, 0.0027671100000000, -0.0052497500000000 ] - [ 0.0017797700000000, -0.0003355000000000, 0.0003777000000000 ] - [ 0.0020588600000000, 0.0001495700000000, -0.0002108700000000 ] - [ -0.0005726000000000, 0.0000157400000000, 0.0005276700000000 ] - [ 0.0020161300000000, 0.0001476200000000, -0.0000694900000000 ] - [ 0.0020230500000000, 0.0006765600000000, -0.0002407900000000 ] - [ 0.0010588900000000, -0.0039621900000000, -0.0001861800000000 ] - [ -0.0039132000000000, 0.0009337900000000, -0.0001352300000000 ] - [ 0.0016429500000000, -0.0003668600000000, 0.0001803800000000 ] - [ 0.0020245200000000, -0.0004782900000000, 0.0004880900000000 ] - [ 0.0005516800000000, 0.0008044200000000, 0.0011300600000000 ] - [ -0.0084679900000000, -0.0024218000000000, -0.0006611000000000 ] - [ 0.0019586700000000, -0.0001565800000000, 0.0002575000000000 ] - [ 0.0019585600000000, -0.0008517700000000, -0.0003076900000000 ] - [ 0.0006506900000000, 0.0002242100000000, -0.0007679300000000 ] - [ -0.0085511000000000, -0.0036752600000000, 0.0025466800000000 ] - [ 0.0026468600000000, -0.0011053100000000, 0.0000181300000000 ] - [ 0.0015116000000000, 0.0000709400000000, 0.0002235000000000 ] - [ 0.0017208100000000, 0.0000571500000000, -0.0000808900000000 ] - [ 0.0018178000000000, -0.0003993200000000, -0.0005257700000000 ] - [ -0.0015115300000000, -0.0000203600000000, 0.0001923700000000 ] - [ -0.0009644300000000, 0.0000251600000000, 0.0001791500000000 ] - [ 0.0006495600000000, 0.0004991500000000, 0.0001453800000000 ] - [ 0.0025181300000000, -0.0004425600000000, 0.0001397000000000 ] - [ -0.0003991800000000, -0.0011635300000000, 0.0001515500000000 ] - [ -0.0008792800000000, 0.0001230300000000, 0.0001693600000000 ] - [ -0.0015337100000000, 0.0000470200000000, 0.0002782700000000 ] - [ -0.0027776900000000, 0.0040814900000000, 0.0010426300000000 ] - [ 0.0070065000000000, 0.0001627900000000, 0.0002192000000000 ] - [ -0.0021356800000000, -0.0001028000000000, 0.0003368900000000 ] - [ -0.0013370600000000, 0.0002982600000000, -0.0000031300000000 ] - [ -0.0005878000000000, -0.0003523500000000, 0.0000464600000000 ] - [ -0.0023793100000000, -0.0006238200000000, -0.0001382400000000 ] - [ -0.0022751200000000, -0.0001202100000000, -0.0001155200000000 ] - [ -0.0026284400000000, 0.0000055000000000, -0.0004992500000000 ] - [ 0.0807737800000000, 0.0740579200000000, 0.0174842800000000 ] - [ -0.0040375200000000, 0.0034448600000000, 0.0006092200000000 ] - [ -0.0024633700000000, -0.0001209300000000, -0.0001262700000000 ] - [ -0.0023649900000000, 0.0001669200000000, 0.0000292700000000 ] - [ 0.0010161900000000, -0.0012447500000000, -0.0001365100000000 ] - [ 0.0064326900000000, 0.0007421600000000, -0.0002237700000000 ] - [ -0.0014506400000000, -0.0001339100000000, 0.0001017800000000 ] - [ -0.0024104700000000, -0.0001738700000000, -0.0001425300000000 ] - [ -0.0026367700000000, 0.0007044800000000, 0.0000816300000000 ] - [ -0.0060020300000000, -0.0012757800000000, -0.0000647500000000 ] - [ -0.0039904700000000, -0.0000859400000000, 0.0000699400000000 ] - [ -0.0044287400000000, 0.0011481300000000, -0.0002885500000000 ] - [ 0.0075903200000000, 0.0013142500000000, -0.0001731500000000 ] - [ 0.0144422300000000, -0.0049660300000000, 0.0000201700000000 ] - [ -0.0027608500000000, -0.0007091200000000, 0.0000119200000000 ] - [ -0.0046312000000000, -0.0000693600000000, 0.0001935900000000 ] - [ -0.0021482400000000, 0.0022376200000000, 0.0000692000000000 ] - [ 0.0150448200000000, 0.0090821400000000, 0.0006589000000000 ] - [ 0.0063165200000000, -0.0065482700000000, -0.0034726700000000 ] - [ -0.0044239800000000, -0.0000479500000000, -0.0000588400000000 ] - [ -0.0035530700000000, -0.0000186500000000, -0.0002765300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1173591500000000, 0.1016757400000000, 0.0185174400000000 ] - [ -0.0021947900000000, -0.0019981900000000, -0.0005321000000000 ] - [ -0.0016381100000000, 0.0001872100000000, 0.0000115700000000 ] - [ -0.0017145700000000, 0.0004263000000000, 0.0000256700000000 ] - [ -0.0024298200000000, -0.0001826500000000, 0.0037096400000000 ] - [ -0.0193106100000000, -0.0211126500000000, -0.0107374200000000 ] - [ -0.0014066200000000, -0.0005902400000000, 0.0001570900000000 ] - [ -0.0022169100000000, 0.0001178400000000, -0.0002663900000000 ] - [ -0.0019190100000000, -0.0007222300000000, 0.0002420300000000 ] - [ -0.0019095300000000, -0.0002895800000000, 0.0000578500000000 ] - [ -0.0024164600000000, 0.0009613200000000, -0.0010499400000000 ] - [ 0.0112450500000000, -0.0052450700000000, 0.0013411800000000 ] - [ -0.0021681800000000, -0.0009144100000000, -0.0004248400000000 ] - [ -0.0018940300000000, -0.0002836300000000, 0.0003426500000000 ] - [ -0.0030307800000000, 0.0002569100000000, 0.0006873800000000 ] - [ 0.0126356400000000, 0.0019737500000000, 0.0022932700000000 ] - [ -0.0008967000000000, -0.0020656500000000, 0.0001059800000000 ] - [ -0.0021312300000000, 0.0005255900000000, -0.0000935600000000 ] - [ -0.0018334000000000, -0.0004046900000000, 0.0000892400000000 ] - [ -0.0015840500000000, 0.0040908600000000, -0.0018874500000000 ] - [ 0.0043090000000000, -0.0010977200000000, 0.0015692500000000 ] - [ -0.0028714400000000, 0.0018305100000000, -0.0002836100000000 ] - [ -0.0015749100000000, -0.0001630800000000, -0.0005584200000000 ] - [ 0.0021838400000000, -0.0043217400000000, -0.0017978100000000 ] - [ -0.0051257200000000, -0.0021557500000000, -0.0010591400000000 ] - [ -0.0016350300000000, 0.0000699200000000, -0.0003006200000000 ] - [ -0.0020120300000000, -0.0002612400000000, -0.0002103000000000 ] - [ 0.0010632100000000, 0.0005984300000000, 0.0004462900000000 ] - [ -0.0068448700000000, -0.0024620100000000, 0.0055126200000000 ] - [ -0.0021059400000000, 0.0000108300000000, -0.0001905700000000 ] - [ -0.0017325000000000, -0.0004752200000000, 0.0003995500000000 ] - [ 0.0002603600000000, 0.0003092600000000, -0.0003451700000000 ] - [ -0.0022269400000000, -0.0005691100000000, -0.0002438700000000 ] - [ -0.0018167000000000, -0.0002564600000000, -0.0000712500000000 ] - [ -0.0012499700000000, 0.0043119600000000, -0.0001260600000000 ] - [ 0.0041112900000000, -0.0013761900000000, -0.0001744900000000 ] - [ -0.0019161900000000, 0.0007101600000000, 0.0005986500000000 ] - [ -0.0017477700000000, 0.0001360500000000, 0.0002946300000000 ] - [ -0.0008381900000000, -0.0011518600000000, -0.0003388200000000 ] - [ 0.0087236400000000, 0.0027831100000000, 0.0014333600000000 ] - [ -0.0018282000000000, 0.0010735800000000, -0.0004208200000000 ] - [ -0.0020849100000000, -0.0000673800000000, 0.0001400500000000 ] - [ -0.0005375900000000, -0.0011473500000000, 0.0005949300000000 ] - [ 0.0083856000000000, 0.0046184000000000, -0.0027118900000000 ] - [ -0.0019096400000000, 0.0006550000000000, 0.0000872400000000 ] - [ -0.0022425600000000, 0.0003865800000000, -0.0001146800000000 ] - [ -0.0009763500000000, 0.0003936800000000, 0.0001859300000000 ] - [ -0.0019373200000000, -0.0001848400000000, -0.0000764200000000 ] - [ 0.0010894400000000, -0.0000461200000000, 0.0001764000000000 ] - [ 0.0013864800000000, 0.0000395300000000, 0.0001898400000000 ] - [ -0.0010618800000000, -0.0004270800000000, 0.0002236200000000 ] - [ -0.0020839400000000, 0.0003953900000000, 0.0002312700000000 ] - [ -0.0000189100000000, 0.0009759600000000, 0.0002592700000000 ] - [ 0.0012915100000000, 0.0000748500000000, 0.0002413200000000 ] - [ 0.0011184400000000, 0.0001489700000000, 0.0001328200000000 ] - [ 0.0030909600000000, -0.0042518500000000, -0.0006236100000000 ] - [ -0.0074001200000000, -0.0007227400000000, -0.0001389300000000 ] - [ 0.0025206300000000, 0.0006379500000000, -0.0002783600000000 ] - [ 0.0009496100000000, 0.0002394800000000, 0.0000611900000000 ] - [ 0.0009706300000000, -0.0001854500000000, 0.0000111800000000 ] - [ 0.0021870300000000, 0.0007075200000000, -0.0000344300000000 ] - [ 0.0024625400000000, 0.0000394100000000, -0.0000606200000000 ] - [ 0.0024535300000000, -0.0001040100000000, 0.0003170000000000 ] - [ -0.0805421600000000, -0.0719775800000000, -0.0172393100000000 ] - [ 0.0038727200000000, -0.0035618000000000, -0.0007287200000000 ] - [ 0.0026232600000000, 0.0001919600000000, 0.0000035500000000 ] - [ 0.0022015200000000, -0.0000897500000000, -0.0001517300000000 ] - [ -0.0008675400000000, 0.0011855400000000, 0.0000148600000000 ] - [ -0.0064546400000000, -0.0002672500000000, 0.0001386100000000 ] - [ 0.0014358300000000, -0.0003070400000000, -0.0001904900000000 ] - [ 0.0024229100000000, -0.0002866900000000, 0.0000525800000000 ] - [ 0.0026212200000000, -0.0002453800000000, -0.0001717100000000 ] - [ 0.0061088000000000, 0.0013186900000000, -0.0000509200000000 ] - [ 0.0038950800000000, 0.0000505200000000, -0.0001836700000000 ] - [ 0.0045049800000000, -0.0011776500000000, 0.0001727300000000 ] - [ -0.0077875400000000, -0.0012246800000000, 0.0000736800000000 ] - [ -0.0156665000000000, 0.0048449900000000, 0.0003037800000000 ] - [ 0.0038228000000000, 0.0005266200000000, 0.0002777600000000 ] - [ 0.0035733100000000, -0.0001154300000000, 0.0000968600000000 ] - [ 0.0031864300000000, -0.0020663200000000, 0.0002206400000000 ] - [ -0.0146143200000000, -0.0096410400000000, -0.0009535600000000 ] - [ -0.0056295100000000, 0.0066484100000000, 0.0031060300000000 ] - [ 0.0038605000000000, 0.0001723300000000, -0.0002715400000000 ] - [ 0.0041096900000000, -0.0001043300000000, -0.0000552300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1048046600000000, -0.2884142800000000, -0.0414420000000000 ] - [ 0.0014979400000000, -0.0022489700000000, 0.0008724200000000 ] - [ 0.0006853800000000, -0.0002724100000000, 0.0000384600000000 ] - [ -0.0000789600000000, 0.0007325600000000, -0.0000181500000000 ] - [ 0.0013722400000000, -0.0057654400000000, 0.0014916400000000 ] - [ 0.0163190500000000, -0.0008941000000000, 0.0056569500000000 ] - [ 0.0009177400000000, -0.0000867900000000, -0.0000592600000000 ] - [ 0.0000059100000000, 0.0004580700000000, -0.0000121700000000 ] - [ 0.0008276300000000, 0.0001586600000000, -0.0000524300000000 ] - [ 0.0003134500000000, 0.0001773800000000, 0.0001333900000000 ] - [ -0.0011232400000000, -0.0019911000000000, -0.0019834400000000 ] - [ 0.0083284300000000, 0.0297125900000000, -0.0130066700000000 ] - [ 0.0008602600000000, 0.0002048400000000, 0.0003267500000000 ] - [ 0.0004575000000000, 0.0002087900000000, -0.0000733700000000 ] - [ -0.0014377200000000, -0.0018068400000000, 0.0017457300000000 ] - [ 0.0027631400000000, 0.0195853800000000, 0.0189745000000000 ] - [ 0.0043846800000000, 0.0037443400000000, -0.0001125300000000 ] - [ 0.0001814700000000, 0.0002062600000000, 0.0000057500000000 ] - [ 0.0005529800000000, -0.0002713600000000, -0.0000344900000000 ] - [ -0.0043143000000000, -0.0035653400000000, -0.0013326400000000 ] - [ 0.0004172600000000, 0.0058257000000000, -0.0017504700000000 ] - [ 0.0007283100000000, -0.0016543100000000, -0.0005805100000000 ] - [ 0.0002995200000000, 0.0003339400000000, -0.0003320300000000 ] - [ -0.0013596300000000, 0.0099091800000000, 0.0018943900000000 ] - [ 0.0041460400000000, -0.0021777700000000, 0.0017409300000000 ] - [ 0.0007636400000000, -0.0002749300000000, -0.0003477100000000 ] - [ 0.0000590600000000, 0.0000928800000000, -0.0001542700000000 ] - [ -0.0018126000000000, 0.0021235800000000, -0.0017327400000000 ] - [ 0.0040725800000000, -0.0040465400000000, -0.0031761100000000 ] - [ 0.0005629200000000, -0.0004186600000000, 0.0003140700000000 ] - [ 0.0004400500000000, -0.0000187200000000, -0.0000338500000000 ] - [ -0.0010870500000000, 0.0015963600000000, 0.0012096500000000 ] - [ 0.0003146800000000, -0.0004910800000000, -0.0001103800000000 ] - [ 0.0004889300000000, 0.0002346000000000, -0.0001735900000000 ] - [ -0.0021444300000000, 0.0041116000000000, -0.0002664600000000 ] - [ -0.0010919400000000, 0.0118948700000000, -0.0002107700000000 ] - [ -0.0000074500000000, -0.0000122300000000, 0.0002827400000000 ] - [ 0.0005613900000000, -0.0002766600000000, 0.0004135000000000 ] - [ 0.0016142500000000, 0.0024634700000000, -0.0003741800000000 ] - [ -0.0046691200000000, 0.0138281000000000, 0.0085936800000000 ] - [ 0.0001601800000000, 0.0003247200000000, 0.0000593100000000 ] - [ 0.0004035100000000, -0.0005971300000000, -0.0001588400000000 ] - [ 0.0025693800000000, 0.0021337600000000, 0.0008498700000000 ] - [ -0.0043724400000000, 0.0104041600000000, -0.0079886900000000 ] - [ 0.0002180200000000, -0.0011128200000000, 0.0002112400000000 ] - [ 0.0000141100000000, 0.0001080100000000, 0.0000737700000000 ] - [ 0.0009414700000000, 0.0014420200000000, 0.0001352100000000 ] - [ 0.0004240800000000, -0.0004606300000000, -0.0003308800000000 ] - [ -0.0004913700000000, 0.0000775500000000, 0.0001906900000000 ] - [ -0.0000298900000000, 0.0000606300000000, 0.0001819700000000 ] - [ 0.0008638300000000, -0.0010756500000000, 0.0001913700000000 ] - [ 0.0004403700000000, -0.0049296200000000, -0.0001139300000000 ] - [ -0.0006906400000000, -0.0009228200000000, 0.0002448200000000 ] - [ -0.0000704400000000, 0.0000249200000000, 0.0001948000000000 ] - [ -0.0003549100000000, 0.0003292500000000, 0.0001684300000000 ] - [ 0.0048796900000000, 0.0015267100000000, -0.0000941400000000 ] - [ 0.0007578100000000, 0.0071389400000000, 0.0005398500000000 ] - [ -0.0013954700000000, 0.0009261900000000, 0.0003250100000000 ] - [ -0.0004443200000000, 0.0002474300000000, 0.0000229000000000 ] - [ -0.0000580800000000, -0.0006200500000000, -0.0000065400000000 ] - [ -0.0007664800000000, -0.0005608600000000, -0.0001910600000000 ] - [ -0.0004548200000000, -0.0001537400000000, -0.0000897100000000 ] - [ -0.0017909000000000, 0.0039537100000000, -0.0009424900000000 ] - [ 0.0725482100000000, 0.1936759900000000, 0.0324227700000000 ] - [ -0.0001740600000000, 0.0072322200000000, 0.0005242400000000 ] - [ -0.0005862100000000, 0.0004706800000000, -0.0001510800000000 ] - [ -0.0004772800000000, -0.0002643700000000, -0.0000212700000000 ] - [ 0.0001172300000000, -0.0052907000000000, -0.0000795900000000 ] - [ -0.0012298000000000, -0.0109338000000000, -0.0023106400000000 ] - [ -0.0003445800000000, -0.0046478300000000, -0.0000437000000000 ] - [ -0.0005347900000000, -0.0001185200000000, -0.0000619300000000 ] - [ -0.0001695800000000, 0.0005891100000000, -0.0000631100000000 ] - [ -0.0028686900000000, 0.0012698900000000, 0.0001662500000000 ] - [ -0.0010975000000000, -0.0000238400000000, -0.0000368800000000 ] - [ 0.0009249400000000, -0.0005488000000000, 0.0000853900000000 ] - [ 0.0123744700000000, -0.0128573400000000, -0.0001094400000000 ] - [ -0.0018280200000000, 0.0079730500000000, 0.0000013900000000 ] - [ -0.0017231500000000, -0.0006462500000000, 0.0001265400000000 ] - [ -0.0013151800000000, 0.0000127400000000, 0.0001672400000000 ] - [ 0.0020250800000000, 0.0003058700000000, 0.0000772500000000 ] - [ 0.0058591700000000, 0.0159652500000000, -0.0000453000000000 ] - [ -0.0104394900000000, -0.0031860100000000, -0.0001364600000000 ] - [ -0.0014114400000000, 0.0000878900000000, -0.0001424600000000 ] - [ -0.0004073100000000, -0.0002455200000000, -0.0001665100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0994608700000000, 0.2787686100000000, 0.0384588000000000 ] - [ -0.0020464300000000, 0.0017622700000000, -0.0008017000000000 ] - [ -0.0001560000000000, -0.0001970200000000, 0.0000328800000000 ] - [ -0.0004658900000000, -0.0002635900000000, 0.0000922000000000 ] - [ -0.0006070700000000, 0.0063847100000000, -0.0015441300000000 ] - [ -0.0171882300000000, 0.0001209100000000, -0.0057586700000000 ] - [ -0.0000838600000000, -0.0005379000000000, -0.0000264700000000 ] - [ -0.0008458100000000, 0.0001638500000000, -0.0000743500000000 ] - [ -0.0006544100000000, -0.0002576300000000, 0.0002375900000000 ] - [ -0.0004990300000000, -0.0000745900000000, 0.0000572600000000 ] - [ 0.0012920800000000, 0.0021083000000000, 0.0021827900000000 ] - [ -0.0083198300000000, -0.0294069400000000, 0.0129774800000000 ] - [ -0.0009002800000000, -0.0003674000000000, -0.0002841600000000 ] - [ -0.0004332800000000, -0.0000483700000000, 0.0001213500000000 ] - [ 0.0013980200000000, 0.0019782800000000, -0.0017087800000000 ] - [ -0.0026587000000000, -0.0196075600000000, -0.0186936900000000 ] - [ -0.0038632000000000, -0.0038618800000000, 0.0001260900000000 ] - [ -0.0007855200000000, -0.0001072000000000, -0.0000007400000000 ] - [ 0.0000399400000000, 0.0003698100000000, 0.0000393000000000 ] - [ 0.0037363500000000, 0.0034399400000000, 0.0013495700000000 ] - [ -0.0011652000000000, -0.0062933800000000, 0.0018772400000000 ] - [ -0.0006297000000000, 0.0022415600000000, -0.0000303400000000 ] - [ -0.0001947800000000, -0.0009217400000000, -0.0002757400000000 ] - [ 0.0012572500000000, -0.0093750400000000, -0.0025121600000000 ] - [ -0.0044218900000000, 0.0023745800000000, -0.0022608900000000 ] - [ -0.0005049900000000, 0.0001130400000000, -0.0001522700000000 ] - [ -0.0003304900000000, -0.0002553200000000, -0.0003462700000000 ] - [ 0.0020663500000000, -0.0019803100000000, 0.0012369900000000 ] - [ -0.0037194500000000, 0.0044374400000000, 0.0033642500000000 ] - [ -0.0008940400000000, 0.0000901500000000, -0.0001260100000000 ] - [ -0.0001218800000000, -0.0003099500000000, 0.0002236600000000 ] - [ 0.0007477500000000, -0.0012836400000000, -0.0010303700000000 ] - [ -0.0005266600000000, 0.0000826900000000, -0.0002019000000000 ] - [ -0.0002894700000000, 0.0001689900000000, -0.0001372500000000 ] - [ 0.0019366300000000, -0.0036769100000000, -0.0000434800000000 ] - [ 0.0013236200000000, -0.0123335800000000, -0.0001207300000000 ] - [ -0.0002725300000000, 0.0003414600000000, 0.0004780100000000 ] - [ -0.0002911500000000, -0.0000535000000000, 0.0003497500000000 ] - [ -0.0018876500000000, -0.0028013700000000, 0.0011308300000000 ] - [ 0.0050466000000000, -0.0136552300000000, -0.0079563700000000 ] - [ -0.0000420700000000, 0.0005898000000000, -0.0002235200000000 ] - [ -0.0005320000000000, -0.0003208800000000, -0.0000073600000000 ] - [ -0.0024421400000000, -0.0030567400000000, -0.0010085200000000 ] - [ 0.0043362900000000, -0.0095328800000000, 0.0079208700000000 ] - [ 0.0005431000000000, 0.0006538400000000, -0.0001068900000000 ] - [ -0.0007779000000000, 0.0003496700000000, 0.0000314300000000 ] - [ -0.0001773100000000, -0.0009826000000000, -0.0000310700000000 ] - [ -0.0005374000000000, -0.0001271800000000, -0.0002753200000000 ] - [ 0.0000747000000000, -0.0001471000000000, 0.0001789700000000 ] - [ 0.0004522300000000, 0.0000055400000000, 0.0001874000000000 ] - [ -0.0012981400000000, 0.0011408300000000, 0.0001801600000000 ] - [ -0.0000384000000000, 0.0048671900000000, 0.0004792900000000 ] - [ 0.0002842700000000, 0.0007244100000000, 0.0001644300000000 ] - [ 0.0004848400000000, 0.0001699800000000, 0.0002162400000000 ] - [ -0.0000532300000000, -0.0001354700000000, 0.0002412600000000 ] - [ -0.0044960200000000, -0.0016778000000000, 0.0005092100000000 ] - [ -0.0011621200000000, -0.0076804800000000, -0.0004524500000000 ] - [ 0.0018001000000000, -0.0003858800000000, -0.0002690800000000 ] - [ 0.0000596000000000, 0.0002893600000000, 0.0000352100000000 ] - [ 0.0004548500000000, 0.0000820100000000, 0.0000645300000000 ] - [ 0.0005989000000000, 0.0006353800000000, 0.0000147800000000 ] - [ 0.0006392000000000, 0.0000756100000000, -0.0000877100000000 ] - [ 0.0016513200000000, -0.0040435000000000, 0.0007631300000000 ] - [ -0.0664067900000000, -0.1824074900000000, -0.0298008300000000 ] - [ -0.0000025000000000, -0.0073220000000000, -0.0006353400000000 ] - [ 0.0007459900000000, -0.0003936900000000, 0.0000311500000000 ] - [ 0.0003331800000000, 0.0003395300000000, -0.0000988200000000 ] - [ 0.0000538900000000, 0.0052486800000000, -0.0000376300000000 ] - [ 0.0012240800000000, 0.0113863800000000, 0.0022450600000000 ] - [ 0.0003453000000000, 0.0041850900000000, -0.0000445600000000 ] - [ 0.0005396200000000, -0.0003447400000000, -0.0000252300000000 ] - [ 0.0001756000000000, -0.0001250700000000, -0.0000244200000000 ] - [ 0.0029933100000000, -0.0012585200000000, -0.0002816500000000 ] - [ 0.0009943900000000, -0.0000125300000000, -0.0000776300000000 ] - [ -0.0007950500000000, 0.0005028100000000, -0.0001982800000000 ] - [ -0.0124626200000000, 0.0129244000000000, 0.0000150000000000 ] - [ 0.0001445600000000, -0.0088405500000000, 0.0004352000000000 ] - [ 0.0028119600000000, 0.0004669000000000, 0.0001684000000000 ] - [ 0.0002480900000000, -0.0002004800000000, 0.0001267000000000 ] - [ -0.0009370500000000, -0.0001047300000000, 0.0002165600000000 ] - [ -0.0061609500000000, -0.0163473700000000, -0.0002746100000000 ] - [ 0.0109393500000000, 0.0033769400000000, -0.0001567800000000 ] - [ 0.0008633800000000, 0.0000266300000000, -0.0001903100000000 ] - [ 0.0009815400000000, 0.0001301700000000, -0.0001666000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0184052000000000, -0.0395619500000000, -0.0647604600000000 ] - [ -0.0008345300000000, -0.0010657600000000, 0.0003879900000000 ] - [ 0.0002865700000000, -0.0002309400000000, 0.0000345500000000 ] - [ -0.0002772400000000, 0.0001770400000000, 0.0000487400000000 ] - [ -0.0054477100000000, -0.0003230300000000, 0.0035094000000000 ] - [ 0.0094281900000000, 0.0054671300000000, -0.0042536800000000 ] - [ 0.0004508600000000, -0.0002992100000000, -0.0000437100000000 ] - [ -0.0004008200000000, 0.0003148100000000, -0.0000421300000000 ] - [ 0.0001249500000000, 0.0000024000000000, 0.0000806300000000 ] - [ -0.0000635400000000, 0.0000547700000000, 0.0000931200000000 ] - [ -0.0006282400000000, 0.0000415000000000, 0.0001308300000000 ] - [ -0.0044082300000000, -0.0169013100000000, 0.0007616900000000 ] - [ 0.0000735300000000, -0.0000763000000000, -0.0000481100000000 ] - [ 0.0000442800000000, 0.0000893100000000, 0.0000154800000000 ] - [ -0.0001658400000000, 0.0002887300000000, -0.0005874400000000 ] - [ 0.0019501300000000, 0.0204442800000000, 0.0098998500000000 ] - [ 0.0002269100000000, -0.0000950100000000, -0.0000698800000000 ] - [ -0.0002679400000000, 0.0000755200000000, -0.0000010900000000 ] - [ 0.0003079900000000, -0.0000034300000000, 0.0000157800000000 ] - [ 0.0016810500000000, -0.0011753300000000, 0.0022414800000000 ] - [ -0.0006375100000000, -0.0000022400000000, 0.0006071000000000 ] - [ -0.0001789300000000, 0.0008112600000000, 0.0003365700000000 ] - [ 0.0001027800000000, -0.0001978800000000, -0.0003108400000000 ] - [ 0.0001987600000000, -0.0002660000000000, -0.0005315700000000 ] - [ 0.0025674200000000, 0.0011154800000000, 0.0002363100000000 ] - [ 0.0001747100000000, -0.0001084800000000, -0.0002499900000000 ] - [ -0.0001446100000000, -0.0000651900000000, -0.0002224700000000 ] - [ -0.0001830600000000, 0.0001106000000000, 0.0000078600000000 ] - [ -0.0049700700000000, -0.0012077300000000, 0.0028000300000000 ] - [ -0.0000918500000000, -0.0001983800000000, 0.0000980700000000 ] - [ 0.0001693700000000, -0.0001472400000000, 0.0000823000000000 ] - [ -0.0005528800000000, 0.0000171800000000, 0.0001265000000000 ] - [ -0.0001042700000000, -0.0001682600000000, -0.0001423800000000 ] - [ 0.0001287700000000, 0.0002124000000000, -0.0001577100000000 ] - [ -0.0002335400000000, 0.0005574100000000, -0.0002730000000000 ] - [ 0.0001141000000000, 0.0003171500000000, 0.0026581700000000 ] - [ -0.0000901200000000, 0.0001702300000000, 0.0004012100000000 ] - [ 0.0001602300000000, -0.0001767300000000, 0.0003935300000000 ] - [ 0.0001319900000000, 0.0001890400000000, 0.0005419600000000 ] - [ -0.0015867100000000, 0.0078034000000000, 0.0027665800000000 ] - [ 0.0001094500000000, 0.0004671400000000, -0.0001075000000000 ] - [ -0.0000405800000000, -0.0004675800000000, -0.0000892200000000 ] - [ 0.0001189400000000, 0.0000640500000000, 0.0000128600000000 ] - [ 0.0015737000000000, -0.0069188400000000, 0.0039311900000000 ] - [ 0.0004389700000000, -0.0002409900000000, -0.0000520200000000 ] - [ -0.0003454400000000, 0.0002179700000000, 0.0000550100000000 ] - [ 0.0004688300000000, 0.0003755700000000, 0.0000433800000000 ] - [ -0.0000283900000000, -0.0003096100000000, -0.0002992400000000 ] - [ -0.0002264000000000, -0.0000297200000000, 0.0001862800000000 ] - [ 0.0001943200000000, 0.0000321000000000, 0.0001838800000000 ] - [ -0.0002658600000000, -0.0001155200000000, 0.0000072900000000 ] - [ 0.0002468100000000, -0.0000818200000000, 0.0011605300000000 ] - [ -0.0001857400000000, -0.0001792800000000, 0.0000447200000000 ] - [ 0.0001837900000000, 0.0000890600000000, 0.0002035000000000 ] - [ -0.0001952000000000, 0.0001171900000000, 0.0002161500000000 ] - [ 0.0007088300000000, -0.0001101600000000, 0.0023337400000000 ] - [ -0.0003477900000000, -0.0000894300000000, -0.0030780000000000 ] - [ -0.0003482200000000, 0.0004390500000000, 0.0001241600000000 ] - [ -0.0002054000000000, 0.0002649000000000, 0.0000292300000000 ] - [ 0.0002344100000000, -0.0002701300000000, 0.0000326900000000 ] - [ -0.0001197800000000, -0.0000051200000000, -0.0001119400000000 ] - [ 0.0000646000000000, -0.0000468300000000, -0.0000856400000000 ] - [ 0.0018032700000000, -0.0000234900000000, -0.0002087800000000 ] - [ 0.0180097000000000, 0.0340442000000000, 0.0426399600000000 ] - [ -0.0010588300000000, -0.0014811400000000, -0.0044784100000000 ] - [ 0.0000179500000000, 0.0000882700000000, -0.0000834300000000 ] - [ -0.0001114200000000, -0.0000072800000000, -0.0000600400000000 ] - [ 0.0004245600000000, -0.0002329500000000, -0.0000416900000000 ] - [ 0.0009390900000000, -0.0002449400000000, -0.0064892300000000 ] - [ -0.0000948300000000, -0.0007814300000000, 0.0001840500000000 ] - [ -0.0000227500000000, -0.0002255300000000, -0.0000470000000000 ] - [ -0.0000508600000000, 0.0002147300000000, -0.0000611700000000 ] - [ 0.0002355800000000, 0.0000494900000000, 0.0009814900000000 ] - [ -0.0001187100000000, -0.0000174900000000, -0.0000529800000000 ] - [ 0.0002070200000000, -0.0001588100000000, -0.0001206300000000 ] - [ 0.0007485700000000, -0.0001450000000000, -0.0048889500000000 ] - [ -0.0020181300000000, -0.0016158300000000, 0.0078291500000000 ] - [ 0.0002450100000000, -0.0000304600000000, 0.0001161200000000 ] - [ -0.0005588400000000, -0.0000779700000000, 0.0001477700000000 ] - [ 0.0002034300000000, 0.0005073700000000, 0.0000872900000000 ] - [ 0.0012433000000000, 0.0005848800000000, 0.0090835300000000 ] - [ -0.0006216500000000, 0.0003445800000000, -0.0055328600000000 ] - [ -0.0003294800000000, 0.0000680600000000, -0.0001579700000000 ] - [ 0.0002243900000000, -0.0000505400000000, -0.0001685400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0191850800000000, 0.0402782600000000, 0.0660210000000000 ] - [ 0.0003040900000000, 0.0006065100000000, -0.0003253000000000 ] - [ 0.0002399500000000, -0.0002281600000000, 0.0000337300000000 ] - [ -0.0002562800000000, 0.0002883000000000, 0.0000220500000000 ] - [ 0.0063553200000000, 0.0009560500000000, -0.0036194700000000 ] - [ -0.0102931500000000, -0.0061126400000000, 0.0040680500000000 ] - [ 0.0003960400000000, -0.0003211100000000, -0.0000460400000000 ] - [ -0.0004421000000000, 0.0003052000000000, -0.0000479000000000 ] - [ 0.0000559400000000, -0.0000907500000000, 0.0000928100000000 ] - [ -0.0001215800000000, 0.0000403500000000, 0.0000892700000000 ] - [ 0.0008140900000000, 0.0000581800000000, 0.0000485200000000 ] - [ 0.0042322300000000, 0.0168274900000000, -0.0005323100000000 ] - [ -0.0001105400000000, -0.0000895100000000, 0.0000862800000000 ] - [ -0.0000155500000000, 0.0000713900000000, 0.0000281400000000 ] - [ 0.0001357000000000, -0.0001301900000000, 0.0006368400000000 ] - [ -0.0019093200000000, -0.0203767600000000, -0.0098167400000000 ] - [ 0.0003739400000000, -0.0000111200000000, 0.0000736900000000 ] - [ -0.0003327500000000, 0.0000269400000000, 0.0000065100000000 ] - [ 0.0002923500000000, 0.0001122200000000, -0.0000123200000000 ] - [ -0.0023021900000000, 0.0010848300000000, -0.0022401600000000 ] - [ -0.0000983900000000, -0.0004590200000000, -0.0005001200000000 ] - [ 0.0002736700000000, -0.0002218400000000, -0.0009393800000000 ] - [ 0.0000162200000000, -0.0003878000000000, -0.0002910400000000 ] - [ -0.0003146000000000, 0.0008520300000000, -0.0000709700000000 ] - [ -0.0028363800000000, -0.0009578600000000, -0.0007265400000000 ] - [ 0.0000866800000000, -0.0000532300000000, -0.0002521500000000 ] - [ -0.0001237300000000, -0.0000984400000000, -0.0002817700000000 ] - [ 0.0004524600000000, 0.0000549500000000, -0.0005122600000000 ] - [ 0.0052400200000000, 0.0015193600000000, -0.0026101600000000 ] - [ -0.0002355300000000, -0.0001283900000000, 0.0000930200000000 ] - [ 0.0001510000000000, -0.0001800600000000, 0.0001105800000000 ] - [ 0.0002288200000000, 0.0003109300000000, 0.0000641200000000 ] - [ -0.0001101300000000, -0.0002552600000000, -0.0001714700000000 ] - [ 0.0000754100000000, 0.0002075700000000, -0.0001546500000000 ] - [ 0.0000258800000000, -0.0001315000000000, -0.0000401300000000 ] - [ 0.0001033300000000, -0.0007539900000000, -0.0029617400000000 ] - [ -0.0001892800000000, 0.0001736300000000, 0.0003796600000000 ] - [ 0.0001148600000000, -0.0001654300000000, 0.0003909000000000 ] - [ -0.0004126700000000, -0.0005370500000000, 0.0002389100000000 ] - [ 0.0018824500000000, -0.0075019400000000, -0.0019730800000000 ] - [ 0.0000144400000000, 0.0004510500000000, -0.0000565200000000 ] - [ -0.0000875300000000, -0.0004518700000000, -0.0000789500000000 ] - [ 0.0000035800000000, -0.0009825500000000, -0.0001751800000000 ] - [ -0.0016708100000000, 0.0077656200000000, -0.0041003000000000 ] - [ 0.0003007200000000, -0.0002125800000000, 0.0001590900000000 ] - [ -0.0003939300000000, 0.0002394100000000, 0.0000524900000000 ] - [ 0.0002745600000000, 0.0000809800000000, 0.0000621400000000 ] - [ -0.0000937800000000, -0.0002744300000000, -0.0003023600000000 ] - [ -0.0001917500000000, -0.0000368500000000, 0.0001814700000000 ] - [ 0.0002270600000000, 0.0000334400000000, 0.0001829100000000 ] - [ -0.0001563900000000, 0.0001841400000000, 0.0003596500000000 ] - [ 0.0001686300000000, 0.0000261400000000, -0.0007897800000000 ] - [ -0.0002237600000000, -0.0000153100000000, 0.0003651000000000 ] - [ 0.0002287400000000, 0.0001090800000000, 0.0002070300000000 ] - [ -0.0002111500000000, 0.0000816700000000, 0.0001944200000000 ] - [ -0.0003190400000000, -0.0000835800000000, -0.0019182800000000 ] - [ -0.0000398900000000, -0.0004468000000000, 0.0025562000000000 ] - [ 0.0007455300000000, 0.0000949600000000, -0.0000682700000000 ] - [ -0.0001796800000000, 0.0002678700000000, 0.0000297100000000 ] - [ 0.0001539000000000, -0.0002643500000000, 0.0000255600000000 ] - [ -0.0000676300000000, 0.0000864900000000, -0.0000623800000000 ] - [ 0.0001293600000000, -0.0000346600000000, -0.0000915400000000 ] - [ -0.0020053700000000, -0.0000592800000000, 0.0000354800000000 ] - [ -0.0180552300000000, -0.0343801400000000, -0.0433545600000000 ] - [ 0.0009237900000000, 0.0014069000000000, 0.0043468700000000 ] - [ 0.0001483400000000, -0.0000141800000000, -0.0000380800000000 ] - [ -0.0000467500000000, 0.0000833500000000, -0.0000616500000000 ] - [ -0.0002658200000000, 0.0001602700000000, -0.0000784500000000 ] - [ -0.0009304300000000, 0.0007302200000000, 0.0063900100000000 ] - [ 0.0000825600000000, 0.0003255000000000, -0.0002734500000000 ] - [ 0.0000400100000000, -0.0002352500000000, -0.0000419400000000 ] - [ 0.0000406700000000, 0.0002476900000000, -0.0000278300000000 ] - [ -0.0001324300000000, -0.0000102000000000, -0.0010901700000000 ] - [ 0.0000317300000000, -0.0000156500000000, -0.0000612800000000 ] - [ -0.0001076300000000, 0.0001239100000000, 0.0000074100000000 ] - [ -0.0008686700000000, 0.0001776800000000, 0.0047597000000000 ] - [ 0.0009737600000000, 0.0018314200000000, -0.0075593600000000 ] - [ 0.0008200300000000, -0.0001519200000000, 0.0001734000000000 ] - [ -0.0004901500000000, -0.0001076200000000, 0.0001417800000000 ] - [ 0.0008565500000000, -0.0003305900000000, 0.0002024100000000 ] - [ -0.0018545200000000, -0.0007418400000000, -0.0094329800000000 ] - [ 0.0011792800000000, -0.0002238300000000, 0.0052074800000000 ] - [ -0.0002259600000000, 0.0000558900000000, -0.0001727800000000 ] - [ 0.0003437100000000, -0.0000723900000000, -0.0001626300000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030898700000000, 0.0012176000000000, -0.0058297400000000 ] - [ 0.0189725800000000, 0.0166554600000000, -0.0099152600000000 ] - [ 0.0020985700000000, -0.0007358000000000, 0.0000605700000000 ] - [ 0.0015325700000000, -0.0001910300000000, 0.0000138600000000 ] - [ -0.3076744400000000, 0.0371729900000000, 0.0501507400000000 ] - [ -0.0093498700000000, -0.0016517400000000, -0.0008322400000000 ] - [ 0.0022081600000000, -0.0001727700000000, -0.0002770500000000 ] - [ 0.0013484400000000, 0.0004321500000000, 0.0001880200000000 ] - [ 0.0018967800000000, 0.0003158600000000, 0.0000472300000000 ] - [ 0.0016552900000000, 0.0003841900000000, 0.0001093300000000 ] - [ 0.0027074600000000, -0.0084411600000000, -0.0129200000000000 ] - [ 0.0007094900000000, -0.0057984300000000, -0.0011855000000000 ] - [ 0.0018704800000000, 0.0003205000000000, 0.0003438300000000 ] - [ 0.0018367600000000, 0.0004493400000000, -0.0002630500000000 ] - [ 0.0242894100000000, -0.0161691400000000, 0.0146521000000000 ] - [ -0.0004526700000000, -0.0033330900000000, 0.0008418000000000 ] - [ 0.0019572600000000, -0.0002858700000000, -0.0001052300000000 ] - [ 0.0009893100000000, -0.0005661800000000, 0.0001650400000000 ] - [ 0.0030778900000000, 0.0006201900000000, 0.0000210200000000 ] - [ 0.0019548900000000, -0.0002161600000000, 0.0001260200000000 ] - [ -0.0000678000000000, 0.0001440000000000, 0.0000683300000000 ] - [ 0.0020106900000000, 0.0000961300000000, -0.0001138600000000 ] - [ 0.0003703600000000, -0.0015965000000000, 0.0001059200000000 ] - [ 0.0013338300000000, 0.0003491900000000, -0.0005105200000000 ] - [ 0.0017444100000000, 0.0000995200000000, -0.0003939300000000 ] - [ 0.0018658500000000, 0.0007201700000000, -0.0001052300000000 ] - [ 0.0020163700000000, -0.0006471700000000, -0.0006119500000000 ] - [ 0.0016922100000000, 0.0001916500000000, -0.0002672200000000 ] - [ 0.0025769100000000, 0.0002478900000000, -0.0001342100000000 ] - [ 0.0015211600000000, 0.0007441700000000, 0.0004061100000000 ] - [ 0.0018844100000000, -0.0002512200000000, 0.0000127600000000 ] - [ 0.0014232500000000, 0.0004016200000000, 0.0004102900000000 ] - [ 0.0017946000000000, 0.0002723400000000, -0.0000725500000000 ] - [ 0.0019987700000000, 0.0007565800000000, -0.0002356100000000 ] - [ -0.0050211500000000, -0.0002289800000000, -0.0002035800000000 ] - [ -0.0020365300000000, 0.0008788800000000, 0.0000808600000000 ] - [ 0.0016601800000000, -0.0001380200000000, 0.0003025500000000 ] - [ 0.0019869100000000, -0.0004714000000000, 0.0004822500000000 ] - [ -0.0054472700000000, -0.0008069900000000, 0.0015377100000000 ] - [ -0.0000914700000000, 0.0044528300000000, -0.0013732500000000 ] - [ 0.0019853400000000, 0.0000674600000000, 0.0001304400000000 ] - [ 0.0019195500000000, -0.0008527000000000, -0.0002897300000000 ] - [ -0.0048697200000000, -0.0007767200000000, -0.0007196200000000 ] - [ -0.0012125300000000, 0.0036058200000000, 0.0026705100000000 ] - [ 0.0022082000000000, -0.0004401900000000, -0.0001106000000000 ] - [ 0.0015823100000000, 0.0001526100000000, 0.0002480500000000 ] - [ -0.0020694400000000, -0.0013556500000000, 0.0003651500000000 ] - [ 0.0018185500000000, -0.0002465500000000, -0.0005822400000000 ] - [ -0.0013696100000000, -0.0000634800000000, 0.0001899100000000 ] - [ -0.0009358400000000, -0.0000115300000000, 0.0001798500000000 ] - [ 0.0030015100000000, 0.0013744100000000, 0.0002258500000000 ] - [ 0.0022647600000000, 0.0002537900000000, 0.0002673000000000 ] - [ -0.0011557900000000, -0.0001776800000000, 0.0002298100000000 ] - [ -0.0004534000000000, 0.0001438900000000, 0.0002180700000000 ] - [ -0.0023982300000000, 0.0001979100000000, 0.0004716200000000 ] - [ -0.0011211600000000, 0.0001403300000000, 0.0001725000000000 ] - [ 0.0099593100000000, 0.0000522000000000, 0.0014124000000000 ] - [ 0.0019501300000000, -0.0019008500000000, -0.0003894800000000 ] - [ -0.0012760400000000, 0.0003515500000000, 0.0000013700000000 ] - [ -0.0008726300000000, -0.0002405900000000, 0.0000580800000000 ] - [ -0.0024030000000000, -0.0000702800000000, -0.0000594000000000 ] - [ -0.0021814900000000, -0.0000685400000000, -0.0001296200000000 ] - [ 0.2173181300000000, -0.0279296800000000, -0.0389107900000000 ] - [ 0.0029042900000000, 0.0042874600000000, 0.0045328700000000 ] - [ -0.0030688600000000, -0.0000371500000000, 0.0001845800000000 ] - [ -0.0026599700000000, -0.0009906800000000, 0.0001515200000000 ] - [ -0.0014777000000000, 0.0011727900000000, 0.0002109100000000 ] - [ -0.0018415200000000, -0.0000158000000000, -0.0001310900000000 ] - [ 0.0000661700000000, -0.0033038900000000, -0.0008066500000000 ] - [ 0.0032316400000000, 0.0011295200000000, -0.0003875700000000 ] - [ -0.0024060600000000, -0.0002190800000000, -0.0001403000000000 ] - [ -0.0023536300000000, 0.0002876800000000, 0.0000474700000000 ] - [ -0.0039706500000000, -0.0002104900000000, -0.0002145300000000 ] - [ -0.0037722400000000, -0.0004260100000000, 0.0000333400000000 ] - [ -0.0034531200000000, 0.0069786500000000, -0.0024981300000000 ] - [ -0.0028397900000000, 0.0021182400000000, -0.0003406100000000 ] - [ -0.0038228000000000, -0.0022901300000000, 0.0005203600000000 ] - [ 0.0010963200000000, -0.0059360200000000, -0.0007600100000000 ] - [ -0.0047712200000000, 0.0001294500000000, 0.0001295200000000 ] - [ -0.0033229300000000, 0.0003826100000000, 0.0000856200000000 ] - [ 0.0272580000000000, -0.0032681400000000, 0.0014790000000000 ] - [ 0.0233550400000000, 0.0027694300000000, -0.0021935700000000 ] - [ -0.0042046700000000, 0.0000846500000000, -0.0000507300000000 ] - [ -0.0035691000000000, -0.0000702000000000, -0.0002778000000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026117900000000, -0.0007703700000000, 0.0059759900000000 ] - [ -0.0191556500000000, -0.0168469900000000, 0.0098094400000000 ] - [ -0.0015689400000000, 0.0002802500000000, 0.0000067500000000 ] - [ -0.0020583600000000, 0.0006487100000000, 0.0000560600000000 ] - [ 0.2953609600000000, -0.0337816100000000, -0.0462768100000000 ] - [ 0.0085648000000000, 0.0009860200000000, 0.0007287600000000 ] - [ -0.0013499600000000, -0.0004461900000000, 0.0001856600000000 ] - [ -0.0021892100000000, 0.0001877100000000, -0.0002780000000000 ] - [ -0.0017106400000000, -0.0004009400000000, 0.0001233800000000 ] - [ -0.0018345900000000, -0.0002878400000000, 0.0000728000000000 ] - [ -0.0025433500000000, 0.0084565500000000, 0.0129963600000000 ] - [ -0.0008884800000000, 0.0057562200000000, 0.0013967600000000 ] - [ -0.0019008500000000, -0.0004824700000000, -0.0003015300000000 ] - [ -0.0018031600000000, -0.0002892000000000, 0.0003080300000000 ] - [ -0.0238829800000000, 0.0160348800000000, -0.0143476000000000 ] - [ 0.0005061300000000, 0.0031916100000000, -0.0008157200000000 ] - [ -0.0013562600000000, 0.0001843000000000, 0.0001125100000000 ] - [ -0.0015846700000000, 0.0006633300000000, -0.0001578800000000 ] - [ -0.0024720200000000, -0.0005142900000000, -0.0000140200000000 ] - [ -0.0025561600000000, 0.0001157500000000, -0.0001217400000000 ] - [ -0.0006540300000000, -0.0005964800000000, 0.0000379700000000 ] - [ -0.0019107400000000, 0.0004901900000000, -0.0004907600000000 ] - [ -0.0002547000000000, 0.0010084600000000, -0.0007058400000000 ] - [ -0.0014527200000000, 0.0002360600000000, -0.0000907900000000 ] - [ -0.0020060600000000, 0.0000557100000000, -0.0001025400000000 ] - [ -0.0015964500000000, -0.0008768100000000, -0.0003949500000000 ] - [ -0.0022782500000000, 0.0004827000000000, 0.0001094800000000 ] - [ -0.0014227500000000, -0.0000277000000000, -0.0002351200000000 ] - [ -0.0022511600000000, 0.0000730800000000, 0.0003181600000000 ] - [ -0.0018462500000000, -0.0010666100000000, -0.0002194500000000 ] - [ -0.0015560200000000, -0.0000742900000000, 0.0001756000000000 ] - [ -0.0017476200000000, -0.0000763000000000, -0.0002264900000000 ] - [ -0.0020036200000000, -0.0006966500000000, -0.0002408800000000 ] - [ -0.0017891800000000, -0.0003345200000000, -0.0000766800000000 ] - [ 0.0047912600000000, 0.0006480000000000, -0.0001082200000000 ] - [ 0.0022697800000000, -0.0013302700000000, -0.0004005700000000 ] - [ -0.0019333000000000, 0.0004807100000000, 0.0004766600000000 ] - [ -0.0017070300000000, 0.0001275300000000, 0.0003018900000000 ] - [ 0.0051379600000000, 0.0004610400000000, -0.0007539500000000 ] - [ 0.0003821200000000, -0.0041333700000000, 0.0021560100000000 ] - [ -0.0018548100000000, 0.0008484200000000, -0.0002929100000000 ] - [ -0.0020423100000000, -0.0000683000000000, 0.0001208900000000 ] - [ 0.0049651000000000, -0.0001510200000000, 0.0005515000000000 ] - [ 0.0011292300000000, -0.0026862000000000, -0.0028553400000000 ] - [ -0.0014653100000000, -0.0000153100000000, 0.0002170600000000 ] - [ -0.0023118700000000, 0.0003041800000000, -0.0001394200000000 ] - [ 0.0027974100000000, 0.0018058900000000, -0.0002576800000000 ] - [ -0.0019351100000000, -0.0003380900000000, -0.0000205700000000 ] - [ 0.0009454900000000, -0.0000028800000000, 0.0001790100000000 ] - [ 0.0013562700000000, 0.0000765800000000, 0.0001891500000000 ] - [ -0.0034093900000000, -0.0013099300000000, 0.0001428400000000 ] - [ -0.0018482800000000, -0.0003173200000000, 0.0000984700000000 ] - [ 0.0007378600000000, -0.0000174100000000, 0.0001805600000000 ] - [ 0.0008647200000000, 0.0000544400000000, 0.0001931100000000 ] - [ 0.0019782200000000, 0.0000003800000000, -0.0000590400000000 ] - [ 0.0015317800000000, -0.0003396300000000, 0.0002382300000000 ] - [ -0.0112547400000000, -0.0006458400000000, -0.0015128800000000 ] - [ -0.0015372100000000, 0.0024322200000000, 0.0004492100000000 ] - [ 0.0008857200000000, 0.0001855600000000, 0.0000565000000000 ] - [ 0.0012582300000000, -0.0002977500000000, -0.0000004000000000 ] - [ 0.0022079300000000, 0.0001500600000000, -0.0001157800000000 ] - [ 0.0023665800000000, -0.0000127600000000, -0.0000479000000000 ] - [ -0.2041207000000000, 0.0253926400000000, 0.0350217700000000 ] - [ -0.0028011900000000, -0.0042336800000000, -0.0047574800000000 ] - [ 0.0029111200000000, -0.0000354800000000, -0.0003075900000000 ] - [ 0.0028149900000000, 0.0010631300000000, -0.0002714500000000 ] - [ 0.0013159800000000, -0.0010933500000000, -0.0003324900000000 ] - [ 0.0019964100000000, -0.0000599100000000, 0.0000086700000000 ] - [ -0.0000607200000000, 0.0037671400000000, 0.0007297100000000 ] - [ -0.0032293500000000, -0.0015782000000000, 0.0003002600000000 ] - [ 0.0024167000000000, -0.0002413400000000, 0.0000517400000000 ] - [ 0.0023331000000000, 0.0001747300000000, -0.0001354100000000 ] - [ 0.0040573900000000, 0.0002478200000000, 0.0001020000000000 ] - [ 0.0036720200000000, 0.0003905400000000, -0.0001482000000000 ] - [ 0.0035461800000000, -0.0069893500000000, 0.0023569500000000 ] - [ 0.0027346200000000, -0.0020952800000000, 0.0002299500000000 ] - [ 0.0027530800000000, 0.0024952100000000, -0.0002358500000000 ] - [ -0.0000288100000000, 0.0057196600000000, 0.0010407400000000 ] - [ 0.0037081100000000, -0.0003142300000000, 0.0001594300000000 ] - [ 0.0043701600000000, -0.0002014100000000, 0.0002033600000000 ] - [ -0.0278505200000000, 0.0031537200000000, -0.0019040300000000 ] - [ -0.0227981300000000, -0.0027399000000000, 0.0019174400000000 ] - [ 0.0036343300000000, 0.0000393100000000, -0.0002789600000000 ] - [ 0.0041236800000000, -0.0000530100000000, -0.0000538600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007872700000000, -0.0058403500000000, -0.0006086400000000 ] - [ 0.0207433800000000, -0.0008039200000000, -0.0057569600000000 ] - [ -0.0000102500000000, -0.0000150300000000, 0.0000266800000000 ] - [ -0.0004673600000000, 0.0003883400000000, 0.0000426900000000 ] - [ 0.0361110600000000, -0.0894366300000000, 0.0127062100000000 ] - [ -0.0017167500000000, -0.0065500700000000, -0.0015889600000000 ] - [ 0.0002736700000000, -0.0002586900000000, -0.0000077800000000 ] - [ -0.0005364800000000, 0.0003902000000000, -0.0000777000000000 ] - [ -0.0000112100000000, -0.0000403900000000, 0.0000722800000000 ] - [ -0.0001269800000000, 0.0001378700000000, 0.0001595900000000 ] - [ -0.0164733400000000, 0.0000917600000000, 0.0109405200000000 ] - [ -0.0060396000000000, 0.0024169600000000, 0.0032998700000000 ] - [ -0.0001019000000000, -0.0000581400000000, 0.0000381700000000 ] - [ 0.0000104300000000, 0.0001957800000000, -0.0000266200000000 ] - [ -0.0198357800000000, -0.0023799000000000, -0.0077915000000000 ] - [ -0.0042189700000000, -0.0004266000000000, -0.0016598600000000 ] - [ 0.0004380400000000, 0.0005777200000000, 0.0000688600000000 ] - [ -0.0000642000000000, 0.0012537800000000, -0.0000933900000000 ] - [ -0.0012323200000000, -0.0020234000000000, -0.0004167200000000 ] - [ -0.0012230100000000, -0.0009561200000000, -0.0000609300000000 ] - [ 0.0007512000000000, 0.0028691100000000, -0.0002017500000000 ] - [ -0.0000122900000000, -0.0000273200000000, -0.0003840200000000 ] - [ -0.0003856400000000, 0.0026893600000000, -0.0010093000000000 ] - [ -0.0001329800000000, 0.0022881800000000, -0.0000698300000000 ] - [ 0.0002924500000000, -0.0004957500000000, 0.0000708000000000 ] - [ 0.0013473000000000, -0.0005244500000000, -0.0007385300000000 ] - [ -0.0015254100000000, 0.0004475100000000, 0.0004082400000000 ] - [ -0.0005485300000000, 0.0004840900000000, -0.0006068600000000 ] - [ 0.0005898600000000, -0.0006376300000000, -0.0002914500000000 ] - [ 0.0010020100000000, -0.0009545000000000, 0.0010159300000000 ] - [ -0.0006141800000000, 0.0001436800000000, -0.0001347800000000 ] - [ -0.0005372900000000, 0.0004106800000000, 0.0002426000000000 ] - [ -0.0002562800000000, -0.0003188300000000, -0.0001588600000000 ] - [ -0.0000223300000000, 0.0000199600000000, -0.0001540800000000 ] - [ -0.0013324900000000, 0.0066736600000000, -0.0003573300000000 ] - [ -0.0048369000000000, 0.0100892600000000, 0.0006631400000000 ] - [ -0.0003141500000000, 0.0001457700000000, 0.0003563100000000 ] - [ -0.0000847700000000, -0.0002095500000000, 0.0004043300000000 ] - [ 0.0050264700000000, 0.0045158500000000, -0.0033828600000000 ] - [ 0.0058470400000000, 0.0070147300000000, -0.0001933800000000 ] - [ -0.0001325200000000, 0.0004588900000000, -0.0000714700000000 ] - [ -0.0003042800000000, -0.0004870100000000, -0.0001141700000000 ] - [ 0.0038577600000000, 0.0043458100000000, 0.0031201900000000 ] - [ 0.0063454400000000, 0.0066625900000000, -0.0003512300000000 ] - [ 0.0001835200000000, -0.0003821300000000, 0.0001018400000000 ] - [ -0.0005902300000000, -0.0001061700000000, -0.0000407600000000 ] - [ 0.0020432500000000, 0.0039180800000000, 0.0002009400000000 ] - [ 0.0000472700000000, -0.0009777300000000, -0.0001634400000000 ] - [ -0.0001198700000000, -0.0000032000000000, 0.0001858800000000 ] - [ 0.0002722000000000, 0.0000773100000000, 0.0001836600000000 ] - [ 0.0003549100000000, -0.0046171800000000, -0.0001187500000000 ] - [ 0.0004266300000000, -0.0026723300000000, 0.0001758400000000 ] - [ -0.0002876000000000, -0.0002535800000000, 0.0002133600000000 ] - [ 0.0001430700000000, -0.0003001400000000, 0.0001985900000000 ] - [ 0.0001824900000000, 0.0015081400000000, -0.0002006400000000 ] - [ 0.0008171300000000, 0.0003631300000000, 0.0002625200000000 ] - [ -0.0002380700000000, 0.0033506900000000, -0.0000832500000000 ] - [ -0.0014705200000000, 0.0029984400000000, 0.0000639400000000 ] - [ -0.0000271700000000, 0.0001624900000000, 0.0000349900000000 ] - [ 0.0003055700000000, -0.0003301500000000, 0.0000240800000000 ] - [ 0.0000882600000000, -0.0000830600000000, -0.0001116800000000 ] - [ 0.0002487100000000, -0.0002897600000000, -0.0000412300000000 ] - [ -0.0236584300000000, 0.0503533400000000, 0.0027864700000000 ] - [ 0.0051006400000000, 0.0062244000000000, -0.0014524000000000 ] - [ 0.0000928700000000, 0.0012275900000000, 0.0001147800000000 ] - [ -0.0001211700000000, 0.0025340200000000, -0.0002511700000000 ] - [ 0.0004679700000000, -0.0016027400000000, -0.0001186400000000 ] - [ 0.0002636200000000, -0.0009385900000000, -0.0000610300000000 ] - [ -0.0019221300000000, -0.0103957200000000, -0.0006615400000000 ] - [ -0.0009327100000000, -0.0086560400000000, 0.0008154700000000 ] - [ 0.0002124000000000, -0.0000546100000000, -0.0000387300000000 ] - [ 0.0002334100000000, 0.0003246400000000, -0.0000534600000000 ] - [ -0.0000081500000000, 0.0001433600000000, -0.0000143000000000 ] - [ -0.0006324400000000, 0.0000190000000000, -0.0001636400000000 ] - [ 0.0058468500000000, -0.0060393200000000, 0.0006184800000000 ] - [ 0.0041985900000000, -0.0032819400000000, 0.0000784400000000 ] - [ -0.0046385500000000, 0.0007747500000000, 0.0002889300000000 ] - [ -0.0045349200000000, -0.0043468900000000, -0.0006959800000000 ] - [ 0.0006216000000000, 0.0003307100000000, 0.0002043700000000 ] - [ 0.0012844000000000, 0.0001995400000000, 0.0001286700000000 ] - [ -0.0076813700000000, 0.0113770900000000, -0.0036935200000000 ] - [ 0.0024809000000000, 0.0172504600000000, -0.0057081100000000 ] - [ 0.0000753000000000, 0.0000183700000000, -0.0001831900000000 ] - [ 0.0005465700000000, -0.0000915200000000, -0.0001532900000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002307600000000, 0.0062994900000000, 0.0006672000000000 ] - [ -0.0212215400000000, 0.0002159300000000, 0.0058203500000000 ] - [ 0.0005408800000000, -0.0004551100000000, 0.0000448100000000 ] - [ -0.0000766400000000, 0.0000856100000000, 0.0000305000000000 ] - [ -0.0347738100000000, 0.0879848600000000, -0.0127011700000000 ] - [ 0.0009084700000000, 0.0058141300000000, 0.0014759200000000 ] - [ 0.0005624200000000, -0.0003655600000000, -0.0000778400000000 ] - [ -0.0003031900000000, 0.0002324800000000, -0.0000089400000000 ] - [ 0.0001859000000000, -0.0000621400000000, 0.0001139500000000 ] - [ -0.0000573800000000, -0.0000336600000000, 0.0000320900000000 ] - [ 0.0166754600000000, 0.0001113300000000, -0.0107635200000000 ] - [ 0.0058131100000000, -0.0025224100000000, -0.0030554400000000 ] - [ 0.0000624700000000, -0.0001085600000000, 0.0000037700000000 ] - [ 0.0000163100000000, -0.0000336400000000, 0.0000725300000000 ] - [ 0.0197831200000000, 0.0027197500000000, 0.0078350700000000 ] - [ 0.0042278300000000, 0.0002307800000000, 0.0016783800000000 ] - [ 0.0001543700000000, -0.0006737400000000, -0.0000631500000000 ] - [ -0.0005375600000000, -0.0011487500000000, 0.0000969300000000 ] - [ 0.0018224500000000, 0.0021176200000000, 0.0004208700000000 ] - [ 0.0006152600000000, 0.0008439600000000, 0.0000646800000000 ] - [ -0.0015233500000000, -0.0033139700000000, 0.0003021300000000 ] - [ 0.0001061100000000, 0.0006136600000000, -0.0002256100000000 ] - [ 0.0004985700000000, -0.0032592100000000, 0.0003994400000000 ] - [ 0.0000106200000000, -0.0016976000000000, -0.0005335300000000 ] - [ -0.0005601000000000, 0.0006582100000000, -0.0005714800000000 ] - [ -0.0010838200000000, 0.0003551100000000, 0.0002355400000000 ] - [ 0.0012477300000000, -0.0006052400000000, -0.0009053800000000 ] - [ 0.0008049000000000, -0.0003233000000000, 0.0001037400000000 ] - [ -0.0002681800000000, 0.0009691400000000, 0.0004836500000000 ] - [ -0.0013273800000000, 0.0006164800000000, -0.0008244100000000 ] - [ 0.0009295200000000, -0.0004701100000000, 0.0003243900000000 ] - [ 0.0002040500000000, -0.0000856700000000, -0.0000542700000000 ] - [ 0.0000445400000000, -0.0000897900000000, -0.0001531400000000 ] - [ 0.0002205800000000, 0.0003817900000000, -0.0001566500000000 ] - [ 0.0011458700000000, -0.0062353500000000, 0.0000517300000000 ] - [ 0.0049743900000000, -0.0104075500000000, -0.0009605900000000 ] - [ 0.0000338800000000, 0.0001840700000000, 0.0004045500000000 ] - [ 0.0003542800000000, -0.0001206600000000, 0.0003588900000000 ] - [ -0.0052161600000000, -0.0048217700000000, 0.0041088300000000 ] - [ -0.0056126800000000, -0.0066939700000000, 0.0009856400000000 ] - [ 0.0002502500000000, 0.0004563900000000, -0.0000920600000000 ] - [ 0.0001748900000000, -0.0004304300000000, -0.0000513700000000 ] - [ -0.0036790600000000, -0.0052391000000000, -0.0032521900000000 ] - [ -0.0064791300000000, -0.0057377800000000, 0.0001584800000000 ] - [ 0.0005704000000000, -0.0000770700000000, 0.0000036800000000 ] - [ -0.0001717400000000, 0.0005623100000000, 0.0001458800000000 ] - [ -0.0012520800000000, -0.0034352600000000, -0.0001014200000000 ] - [ -0.0001615700000000, 0.0003872500000000, -0.0004420800000000 ] - [ -0.0002963000000000, -0.0000656700000000, 0.0001839500000000 ] - [ 0.0001502800000000, -0.0000110000000000, 0.0001855900000000 ] - [ -0.0008008500000000, 0.0046775600000000, 0.0004962200000000 ] - [ -0.0000087800000000, 0.0025973400000000, 0.0001939200000000 ] - [ -0.0001220900000000, 0.0000583400000000, 0.0001956900000000 ] - [ 0.0002682700000000, 0.0004935900000000, 0.0002119800000000 ] - [ -0.0005833300000000, -0.0013119800000000, 0.0006084200000000 ] - [ -0.0004021600000000, -0.0005544800000000, 0.0001481800000000 ] - [ -0.0001564500000000, -0.0038785100000000, 0.0001434600000000 ] - [ 0.0018643500000000, -0.0024325000000000, -0.0000035500000000 ] - [ -0.0003590100000000, 0.0003737200000000, 0.0000231500000000 ] - [ 0.0000886000000000, -0.0002103800000000, 0.0000335400000000 ] - [ -0.0002587800000000, 0.0001579900000000, -0.0000641800000000 ] - [ -0.0000649100000000, 0.0002101300000000, -0.0001359800000000 ] - [ 0.0230914400000000, -0.0500544300000000, -0.0028918400000000 ] - [ -0.0049780500000000, -0.0060751000000000, 0.0012754300000000 ] - [ -0.0002384100000000, -0.0013013000000000, -0.0002330200000000 ] - [ 0.0002806000000000, -0.0024467500000000, 0.0001300500000000 ] - [ -0.0006152700000000, 0.0016670500000000, -0.0000022300000000 ] - [ -0.0000999200000000, 0.0008582100000000, -0.0000585300000000 ] - [ 0.0019354600000000, 0.0108141900000000, 0.0005905800000000 ] - [ 0.0009080600000000, 0.0081443700000000, -0.0008905900000000 ] - [ -0.0002073400000000, -0.0004077500000000, -0.0000486300000000 ] - [ -0.0002243400000000, 0.0001385100000000, -0.0000342700000000 ] - [ 0.0001344900000000, -0.0001076400000000, -0.0000983100000000 ] - [ 0.0005251000000000, -0.0000546100000000, 0.0000486900000000 ] - [ -0.0056986000000000, 0.0059469500000000, -0.0007240000000000 ] - [ -0.0042797700000000, 0.0033241400000000, -0.0001924300000000 ] - [ 0.0035616400000000, -0.0006131100000000, 0.0000021500000000 ] - [ 0.0055793500000000, 0.0041941700000000, 0.0009907500000000 ] - [ -0.0016852600000000, -0.0005169300000000, 0.0000898100000000 ] - [ -0.0001907600000000, -0.0000135200000000, 0.0001652000000000 ] - [ 0.0070296800000000, -0.0117246600000000, 0.0037324000000000 ] - [ -0.0019517300000000, -0.0153401000000000, 0.0048287200000000 ] - [ -0.0006241400000000, 0.0000959100000000, -0.0001499700000000 ] - [ 0.0000264100000000, -0.0000247200000000, -0.0001797100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0035520200000000, 0.0017475500000000, 0.0036074800000000 ] - [ -0.0110965000000000, -0.0059538700000000, -0.0040638800000000 ] - [ 0.0000568500000000, -0.0002059300000000, 0.0000337600000000 ] - [ -0.0004874200000000, 0.0002567100000000, 0.0000371200000000 ] - [ 0.0485906000000000, 0.0133256700000000, -0.0876820200000000 ] - [ 0.0003482600000000, 0.0013263400000000, 0.0235513900000000 ] - [ 0.0001948700000000, -0.0003423700000000, -0.0000188100000000 ] - [ -0.0006572600000000, 0.0002726400000000, -0.0000714700000000 ] - [ -0.0001537800000000, -0.0000978300000000, 0.0000952300000000 ] - [ -0.0003459300000000, -0.0000202000000000, 0.0000744100000000 ] - [ -0.0148973400000000, 0.0117710600000000, 0.0127590800000000 ] - [ 0.0004605900000000, 0.0017670300000000, 0.0002011800000000 ] - [ -0.0002774600000000, -0.0001446000000000, -0.0000293500000000 ] - [ -0.0002569100000000, -0.0000003800000000, 0.0000780000000000 ] - [ 0.0189072200000000, -0.0080781100000000, 0.0013451500000000 ] - [ 0.0010488700000000, 0.0000726000000000, 0.0015413900000000 ] - [ -0.0000054300000000, -0.0001392900000000, 0.0000106700000000 ] - [ -0.0006472900000000, -0.0001252600000000, -0.0000477100000000 ] - [ 0.0002135100000000, 0.0003119900000000, 0.0005133000000000 ] - [ -0.0003799700000000, 0.0001283500000000, -0.0000862600000000 ] - [ -0.0006141100000000, -0.0011293700000000, -0.0000286400000000 ] - [ -0.0002306400000000, 0.0003996300000000, -0.0003084600000000 ] - [ -0.0001629600000000, -0.0007415800000000, -0.0003368100000000 ] - [ -0.0002503700000000, -0.0000902300000000, -0.0002746700000000 ] - [ -0.0004948600000000, 0.0001415700000000, -0.0002920700000000 ] - [ -0.0003763800000000, -0.0001034200000000, -0.0001392700000000 ] - [ -0.0002251200000000, -0.0004620700000000, 0.0000586500000000 ] - [ 0.0000373100000000, -0.0000241800000000, -0.0001883700000000 ] - [ -0.0003143500000000, 0.0002697400000000, 0.0003987500000000 ] - [ -0.0007273000000000, -0.0000679700000000, -0.0003335500000000 ] - [ 0.0001323100000000, -0.0002120700000000, 0.0002197400000000 ] - [ -0.0003118100000000, 0.0000750400000000, 0.0000019400000000 ] - [ -0.0003551000000000, -0.0002596000000000, -0.0001677100000000 ] - [ -0.0001482000000000, 0.0001721500000000, -0.0001441200000000 ] - [ 0.0020512400000000, -0.0027067300000000, 0.0004261100000000 ] - [ 0.0019370800000000, -0.0029050200000000, -0.0005781700000000 ] - [ -0.0003660400000000, 0.0002213900000000, 0.0004072800000000 ] - [ -0.0000859700000000, -0.0001169200000000, 0.0003728000000000 ] - [ -0.0001635000000000, -0.0011840800000000, 0.0014372700000000 ] - [ -0.0016242800000000, -0.0023730500000000, -0.0008584700000000 ] - [ -0.0001810600000000, 0.0005170300000000, -0.0001156100000000 ] - [ -0.0003003300000000, -0.0003976000000000, -0.0000475200000000 ] - [ 0.0001217100000000, -0.0012228500000000, -0.0010586300000000 ] - [ -0.0022444100000000, 0.0006216100000000, 0.0043352000000000 ] - [ 0.0001341100000000, -0.0001651300000000, 0.0000623500000000 ] - [ -0.0005899200000000, 0.0003133200000000, 0.0000550600000000 ] - [ 0.0008473800000000, -0.0002073100000000, -0.0000412800000000 ] - [ -0.0003882500000000, -0.0001459700000000, -0.0002937600000000 ] - [ -0.0000587300000000, -0.0000362300000000, 0.0001837900000000 ] - [ 0.0003705200000000, 0.0000292100000000, 0.0001863700000000 ] - [ -0.0005819900000000, -0.0001175300000000, 0.0007091500000000 ] - [ -0.0000023300000000, 0.0004016200000000, 0.0000521900000000 ] - [ -0.0000584800000000, -0.0000540600000000, 0.0001989500000000 ] - [ 0.0003093400000000, 0.0001723800000000, 0.0002033100000000 ] - [ -0.0000552000000000, -0.0003884200000000, 0.0007009900000000 ] - [ 0.0004082100000000, -0.0003196800000000, 0.0001427100000000 ] - [ 0.0006224800000000, -0.0006115200000000, 0.0017829600000000 ] - [ -0.0008886900000000, -0.0004766300000000, -0.0018077100000000 ] - [ -0.0000669800000000, 0.0002824000000000, 0.0000324300000000 ] - [ 0.0003301100000000, -0.0002606700000000, 0.0000259400000000 ] - [ 0.0002109900000000, 0.0000824800000000, -0.0000874700000000 ] - [ 0.0003977600000000, 0.0000256000000000, -0.0000926900000000 ] - [ -0.0351895400000000, 0.0016833500000000, 0.0425041300000000 ] - [ -0.0005876000000000, -0.0040589800000000, -0.0042810900000000 ] - [ 0.0002295900000000, -0.0003378500000000, -0.0001334600000000 ] - [ 0.0004302900000000, -0.0004111200000000, -0.0000462700000000 ] - [ 0.0000183200000000, 0.0003369900000000, 0.0000253200000000 ] - [ 0.0003265800000000, 0.0001535400000000, -0.0000492700000000 ] - [ -0.0005814700000000, 0.0023007900000000, 0.0014074700000000 ] - [ -0.0007250600000000, 0.0018812100000000, -0.0004295500000000 ] - [ 0.0003107600000000, -0.0002700000000000, -0.0000318900000000 ] - [ 0.0002953700000000, 0.0002024400000000, -0.0000563800000000 ] - [ 0.0006623400000000, 0.0000259100000000, -0.0000417400000000 ] - [ 0.0006443700000000, 0.0000081200000000, -0.0000556200000000 ] - [ 0.0001010700000000, 0.0006333500000000, -0.0045629900000000 ] - [ -0.0004542200000000, 0.0003435200000000, 0.0004545000000000 ] - [ 0.0007897700000000, 0.0010614800000000, -0.0003786900000000 ] - [ 0.0014004200000000, 0.0021418100000000, 0.0005027600000000 ] - [ -0.0001774300000000, -0.0002166700000000, 0.0001197500000000 ] - [ 0.0009347100000000, 0.0000306600000000, 0.0001530700000000 ] - [ 0.0023446200000000, -0.0073209600000000, 0.0031310700000000 ] - [ -0.0048980300000000, -0.0010187800000000, 0.0054517600000000 ] - [ 0.0002221200000000, 0.0000675700000000, -0.0001776800000000 ] - [ 0.0007964000000000, -0.0000537700000000, -0.0001528200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0040103100000000, -0.0012797500000000, -0.0035204400000000 ] - [ 0.0104928300000000, 0.0054566100000000, 0.0042582400000000 ] - [ 0.0004636000000000, -0.0002470000000000, 0.0000327100000000 ] - [ -0.0000462900000000, 0.0002030100000000, 0.0000323500000000 ] - [ -0.0477548200000000, -0.0120774800000000, 0.0859828000000000 ] - [ -0.0012110500000000, -0.0017431100000000, -0.0236190200000000 ] - [ 0.0006539200000000, -0.0002772500000000, -0.0000712800000000 ] - [ -0.0001904800000000, 0.0003462400000000, -0.0000195100000000 ] - [ 0.0003322200000000, 0.0000122300000000, 0.0000740500000000 ] - [ 0.0001581100000000, 0.0001139900000000, 0.0001065400000000 ] - [ 0.0152865000000000, -0.0117774600000000, -0.0125662000000000 ] - [ -0.0006500100000000, -0.0018445500000000, -0.0000376800000000 ] - [ 0.0002384700000000, -0.0000186400000000, 0.0000690100000000 ] - [ 0.0002812800000000, 0.0001575500000000, -0.0000321900000000 ] - [ -0.0189115400000000, 0.0082398400000000, -0.0014035300000000 ] - [ -0.0010164500000000, -0.0002220100000000, -0.0014829600000000 ] - [ 0.0005947700000000, 0.0000392500000000, -0.0000030400000000 ] - [ 0.0000486200000000, 0.0002200200000000, 0.0000544900000000 ] - [ 0.0003783900000000, -0.0002027100000000, -0.0005080600000000 ] - [ -0.0002237800000000, -0.0002326700000000, 0.0000899300000000 ] - [ -0.0001346300000000, 0.0006599200000000, 0.0001417400000000 ] - [ 0.0003213800000000, 0.0001880900000000, -0.0002975100000000 ] - [ 0.0002871100000000, 0.0001520100000000, -0.0002639200000000 ] - [ 0.0001248600000000, 0.0006688100000000, -0.0003266900000000 ] - [ 0.0002243200000000, 0.0000199100000000, -0.0002078800000000 ] - [ 0.0006296600000000, -0.0000610300000000, -0.0003594100000000 ] - [ -0.0000410000000000, 0.0003022900000000, -0.0005617000000000 ] - [ 0.0002234500000000, 0.0001852600000000, -0.0003138400000000 ] - [ 0.0006335100000000, 0.0000578800000000, -0.0002078400000000 ] - [ 0.0003927200000000, -0.0002595300000000, 0.0005174900000000 ] - [ 0.0001906800000000, -0.0001116200000000, -0.0000322900000000 ] - [ -0.0000220100000000, 0.0002460900000000, 0.0001802700000000 ] - [ 0.0001363200000000, -0.0001688200000000, -0.0001458700000000 ] - [ 0.0003500500000000, 0.0002494400000000, -0.0001675300000000 ] - [ -0.0022116200000000, 0.0030810100000000, -0.0007463700000000 ] - [ -0.0017106800000000, 0.0024513000000000, 0.0002634500000000 ] - [ 0.0000842900000000, 0.0001237000000000, 0.0003734100000000 ] - [ 0.0003579100000000, -0.0002263400000000, 0.0004118500000000 ] - [ -0.0001143600000000, 0.0008238000000000, -0.0006375200000000 ] - [ 0.0018901900000000, 0.0027038300000000, 0.0016113500000000 ] - [ 0.0003018400000000, 0.0004013000000000, -0.0000479000000000 ] - [ 0.0001694700000000, -0.0005218500000000, -0.0001200800000000 ] - [ 0.0000206100000000, 0.0002935900000000, 0.0008856400000000 ] - [ 0.0020324800000000, 0.0002381700000000, -0.0044380200000000 ] - [ 0.0006008900000000, -0.0002893500000000, 0.0000451700000000 ] - [ -0.0001499300000000, 0.0001446000000000, 0.0000529600000000 ] - [ -0.0000888400000000, 0.0006576900000000, 0.0001468100000000 ] - [ 0.0002631700000000, -0.0004371100000000, -0.0003076900000000 ] - [ -0.0003601000000000, -0.0000312500000000, 0.0001853700000000 ] - [ 0.0000581700000000, 0.0000371600000000, 0.0001830700000000 ] - [ 0.0001473000000000, 0.0001835500000000, -0.0003444200000000 ] - [ 0.0004229100000000, -0.0004606100000000, 0.0003182100000000 ] - [ -0.0003495800000000, -0.0001421300000000, 0.0002113800000000 ] - [ 0.0001028900000000, 0.0000273100000000, 0.0002075100000000 ] - [ -0.0003450000000000, 0.0005817500000000, -0.0002903200000000 ] - [ 0.0000069900000000, 0.0001203900000000, 0.0002679300000000 ] - [ -0.0010080200000000, 0.0000704900000000, -0.0017099300000000 ] - [ 0.0012571900000000, 0.0010115700000000, 0.0018651500000000 ] - [ -0.0003178800000000, 0.0002539000000000, 0.0000262400000000 ] - [ 0.0000619400000000, -0.0002766800000000, 0.0000322100000000 ] - [ -0.0003929800000000, -0.0000019000000000, -0.0000883500000000 ] - [ -0.0002016400000000, -0.0001065400000000, -0.0000855500000000 ] - [ 0.0349885600000000, -0.0018224600000000, -0.0422563400000000 ] - [ 0.0008254500000000, 0.0040972600000000, 0.0041037800000000 ] - [ -0.0003806700000000, 0.0002597200000000, 0.0000115400000000 ] - [ -0.0002579100000000, 0.0004852400000000, -0.0000772000000000 ] - [ -0.0001786300000000, -0.0002612600000000, -0.0001474800000000 ] - [ -0.0001584000000000, -0.0002269700000000, -0.0000714600000000 ] - [ 0.0005938200000000, -0.0018048000000000, -0.0015201100000000 ] - [ 0.0006894500000000, -0.0023108300000000, 0.0003333500000000 ] - [ -0.0002870200000000, -0.0001917200000000, -0.0000554600000000 ] - [ -0.0003045200000000, 0.0002603900000000, -0.0000312700000000 ] - [ -0.0005560000000000, 0.0000094500000000, -0.0000707900000000 ] - [ -0.0007230900000000, -0.0000401400000000, -0.0000585900000000 ] - [ -0.0000166000000000, -0.0006966000000000, 0.0044647500000000 ] - [ 0.0003584700000000, -0.0003022500000000, -0.0005689400000000 ] - [ -0.0018176600000000, -0.0008674900000000, 0.0006747700000000 ] - [ -0.0003332100000000, -0.0022815300000000, -0.0002029500000000 ] - [ -0.0008657900000000, 0.0000277500000000, 0.0001691700000000 ] - [ 0.0001315100000000, 0.0001522900000000, 0.0001362000000000 ] - [ -0.0028908200000000, 0.0065558000000000, -0.0023953300000000 ] - [ 0.0053986200000000, 0.0012652500000000, -0.0057695500000000 ] - [ -0.0007718300000000, 0.0000566200000000, -0.0001526700000000 ] - [ -0.0002223700000000, -0.0000699300000000, -0.0001781800000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0022753500000000, 0.0009716400000000, 0.0000687900000000 ] - [ 0.0015556500000000, 0.0001756200000000, 0.0000057800000000 ] - [ 0.0027775600000000, 0.0009740500000000, -0.0006881600000000 ] - [ -0.0116853500000000, -0.0080069500000000, 0.0043089300000000 ] - [ 0.0022256600000000, 0.0002133000000000, -0.0002883200000000 ] - [ 0.0013237300000000, -0.0003445300000000, 0.0002078500000000 ] - [ 0.0030398600000000, 0.0161891400000000, -0.0150774200000000 ] - [ 0.0003923300000000, 0.0062238600000000, -0.0005986800000000 ] - [ -0.0822155100000000, -0.0306840700000000, 0.0215116200000000 ] - [ 0.0005994700000000, 0.0018435100000000, 0.0009910400000000 ] - [ 0.0019183600000000, -0.0002773800000000, 0.0000614100000000 ] - [ 0.0015231600000000, -0.0002528300000000, 0.0000286300000000 ] - [ -0.0158074800000000, -0.0033236200000000, 0.0039126400000000 ] - [ 0.0006929400000000, 0.0012518800000000, -0.0009187900000000 ] - [ 0.0019033500000000, -0.0002821100000000, 0.0003399600000000 ] - [ 0.0016530200000000, -0.0002547900000000, -0.0001611100000000 ] - [ 0.0055102900000000, -0.0043856600000000, -0.0026111700000000 ] - [ 0.0014035100000000, -0.0000505500000000, 0.0000934000000000 ] - [ 0.0022414200000000, 0.0002642400000000, -0.0000707300000000 ] - [ 0.0008095600000000, 0.0021025700000000, 0.0003811100000000 ] - [ 0.0015214600000000, -0.0006209600000000, 0.0003090000000000 ] - [ 0.0015514000000000, 0.0076767900000000, 0.0021353100000000 ] - [ 0.0019098400000000, -0.0000563000000000, -0.0001023000000000 ] - [ 0.0016402700000000, -0.0008341300000000, -0.0007931700000000 ] - [ 0.0043624700000000, -0.0000055900000000, -0.0030846500000000 ] - [ 0.0017326000000000, -0.0004642100000000, -0.0003414600000000 ] - [ 0.0018390800000000, 0.0003768700000000, -0.0001098000000000 ] - [ 0.0002234600000000, -0.0010420800000000, 0.0003616000000000 ] - [ 0.0023481600000000, 0.0008290900000000, 0.0000682600000000 ] - [ 0.0015700100000000, -0.0005925800000000, 0.0004672500000000 ] - [ 0.0022619600000000, 0.0003834400000000, -0.0003728300000000 ] - [ -0.0005853400000000, -0.0010276100000000, -0.0008086100000000 ] - [ -0.0089193900000000, -0.0046206500000000, 0.0010029600000000 ] - [ -0.0008074000000000, -0.0017293100000000, -0.0001016300000000 ] - [ 0.0017950700000000, -0.0002867200000000, -0.0000712100000000 ] - [ 0.0019254800000000, -0.0009117900000000, -0.0002293800000000 ] - [ -0.0050881900000000, 0.0008660300000000, 0.0007217800000000 ] - [ 0.0036682000000000, -0.0045441500000000, 0.0019807900000000 ] - [ 0.0016282200000000, 0.0001134100000000, 0.0003120400000000 ] - [ 0.0020817900000000, 0.0003733600000000, 0.0004164400000000 ] - [ -0.0050679300000000, 0.0011569600000000, -0.0005708300000000 ] - [ 0.0053627600000000, -0.0035375800000000, 0.0000070000000000 ] - [ 0.0019504900000000, -0.0000960400000000, 0.0001208800000000 ] - [ 0.0020353900000000, 0.0007637600000000, -0.0002024300000000 ] - [ -0.0049169100000000, 0.0047777100000000, 0.0000228300000000 ] - [ 0.0016765300000000, -0.0011066400000000, 0.0000806700000000 ] - [ 0.0021496000000000, 0.0004250800000000, -0.0000936800000000 ] - [ 0.0015316200000000, -0.0009582400000000, -0.0004577500000000 ] - [ 0.0049764600000000, 0.0011203200000000, 0.0003833900000000 ] - [ 0.0013199500000000, 0.0005817100000000, 0.0001367200000000 ] - [ -0.0013622800000000, 0.0000736700000000, 0.0001890600000000 ] - [ -0.0008995900000000, 0.0000542500000000, 0.0001804200000000 ] - [ -0.0023410100000000, 0.0019416300000000, -0.0015242900000000 ] - [ -0.0008275800000000, -0.0000474300000000, 0.0001880800000000 ] - [ -0.0013493200000000, 0.0001343200000000, 0.0002484400000000 ] - [ -0.0003721500000000, -0.0007058900000000, 0.0002334600000000 ] - [ -0.0013978200000000, -0.0004745300000000, 0.0000012000000000 ] - [ -0.0009035300000000, 0.0002515500000000, 0.0000580300000000 ] - [ -0.0021807000000000, -0.0002456700000000, -0.0001326100000000 ] - [ 0.0043241100000000, 0.0011874300000000, 0.0007402600000000 ] - [ 0.0473785500000000, 0.0132614800000000, -0.0157265600000000 ] - [ -0.0024417700000000, -0.0027513300000000, 0.0007666900000000 ] - [ -0.0024369100000000, 0.0000372500000000, -0.0000647100000000 ] - [ -0.0021671100000000, -0.0002430000000000, -0.0001971200000000 ] - [ -0.0020537300000000, -0.0030225400000000, 0.0001448700000000 ] - [ -0.0021508700000000, 0.0003301000000000, -0.0001603300000000 ] - [ -0.0024915100000000, -0.0003751200000000, 0.0000541600000000 ] - [ -0.0016100500000000, 0.0045123800000000, 0.0007509300000000 ] - [ -0.0023992300000000, 0.0004535100000000, -0.0001277600000000 ] - [ -0.0023137200000000, -0.0002400000000000, 0.0000480600000000 ] - [ -0.0017826000000000, 0.0043731900000000, 0.0003997200000000 ] - [ 0.0078445800000000, 0.0007559400000000, -0.0001544400000000 ] - [ 0.0206302800000000, 0.0047496100000000, -0.0065056100000000 ] - [ -0.0024869300000000, 0.0002889500000000, -0.0000532600000000 ] - [ -0.0039699600000000, -0.0000059700000000, -0.0001597100000000 ] - [ -0.0025281400000000, 0.0003134800000000, 0.0001058800000000 ] - [ -0.0059177000000000, 0.0004106100000000, 0.0000138300000000 ] - [ -0.0032262000000000, -0.0001431700000000, 0.0000887000000000 ] - [ -0.0056921400000000, 0.0001526500000000, 0.0000215400000000 ] - [ 0.0054452200000000, -0.0015151000000000, 0.0002296800000000 ] - [ -0.0043180100000000, -0.0001405300000000, -0.0000423500000000 ] - [ -0.0034576500000000, 0.0000670300000000, -0.0002764100000000 ] - [ 0.0210490200000000, 0.0040651200000000, 0.0081536500000000 ] - [ 0.0085924500000000, -0.0068611600000000, -0.0001754800000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017365900000000, -0.0004977700000000, 0.0000031900000000 ] - [ -0.0020896300000000, -0.0006468800000000, 0.0000666200000000 ] - [ -0.0022386700000000, -0.0014570900000000, 0.0007587000000000 ] - [ 0.0110867100000000, 0.0086509400000000, -0.0043289000000000 ] - [ -0.0013903100000000, 0.0004105300000000, 0.0002016100000000 ] - [ -0.0021579600000000, -0.0002770300000000, -0.0002929900000000 ] - [ -0.0022237900000000, -0.0169616500000000, 0.0151092400000000 ] - [ -0.0011982800000000, -0.0056275000000000, 0.0005156700000000 ] - [ 0.0822108200000000, 0.0294321700000000, -0.0191893600000000 ] - [ -0.0007693600000000, -0.0017380900000000, -0.0008031900000000 ] - [ -0.0017354700000000, 0.0003841800000000, 0.0001315000000000 ] - [ -0.0017025000000000, 0.0001468300000000, 0.0001639600000000 ] - [ 0.0156895400000000, 0.0031609300000000, -0.0040425000000000 ] - [ -0.0006490500000000, -0.0010867400000000, 0.0009664700000000 ] - [ -0.0019312400000000, 0.0004449100000000, -0.0002942000000000 ] - [ -0.0016206200000000, 0.0000924500000000, 0.0002059300000000 ] - [ -0.0048692000000000, 0.0042317900000000, 0.0025793800000000 ] - [ -0.0019973000000000, 0.0001470400000000, -0.0000877700000000 ] - [ -0.0016400700000000, -0.0001620500000000, 0.0000753000000000 ] - [ -0.0014181900000000, -0.0021897700000000, -0.0003768900000000 ] - [ -0.0022781600000000, 0.0001591300000000, -0.0002023200000000 ] - [ -0.0014700600000000, -0.0070166900000000, -0.0027181700000000 ] - [ -0.0017985900000000, -0.0005320900000000, -0.0005039700000000 ] - [ -0.0017496500000000, 0.0014084500000000, 0.0001844000000000 ] - [ -0.0045971800000000, 0.0001606900000000, 0.0025632500000000 ] - [ -0.0014653300000000, 0.0003046800000000, -0.0001572600000000 ] - [ -0.0021032400000000, -0.0005394400000000, -0.0003919300000000 ] - [ 0.0000280100000000, 0.0011975800000000, -0.0008585600000000 ] - [ -0.0020154500000000, -0.0004888500000000, 0.0001306500000000 ] - [ -0.0018911800000000, 0.0002651000000000, -0.0002779300000000 ] - [ -0.0019365200000000, -0.0007125200000000, 0.0005626300000000 ] - [ 0.0002380800000000, 0.0013487700000000, 0.0009842300000000 ] - [ 0.0087035400000000, 0.0042015000000000, -0.0013014400000000 ] - [ 0.0010256500000000, 0.0021516600000000, -0.0002093300000000 ] - [ -0.0019959700000000, 0.0006896500000000, -0.0002398100000000 ] - [ -0.0017184200000000, 0.0005036400000000, -0.0000820100000000 ] - [ 0.0048049800000000, -0.0005207700000000, 0.0000492500000000 ] - [ -0.0034107700000000, 0.0042348100000000, -0.0012215900000000 ] - [ -0.0019018800000000, -0.0004441200000000, 0.0004506900000000 ] - [ -0.0018038100000000, -0.0000439500000000, 0.0003438000000000 ] - [ 0.0051826100000000, -0.0002218100000000, 0.0003957000000000 ] - [ -0.0055314500000000, 0.0026426700000000, -0.0001717800000000 ] - [ -0.0018248300000000, -0.0008188900000000, -0.0002837200000000 ] - [ -0.0021563000000000, 0.0001491800000000, 0.0000431400000000 ] - [ 0.0056479400000000, -0.0051765600000000, 0.0000796000000000 ] - [ -0.0024387000000000, 0.0015721600000000, 0.0000265100000000 ] - [ -0.0013814100000000, 0.0000329500000000, 0.0001974700000000 ] - [ -0.0016362000000000, 0.0003754300000000, -0.0001499000000000 ] - [ -0.0054061100000000, -0.0011421000000000, -0.0000025200000000 ] - [ -0.0009089600000000, -0.0005198100000000, 0.0002323800000000 ] - [ 0.0009411300000000, -0.0000055200000000, 0.0001804900000000 ] - [ 0.0013178700000000, -0.0001205600000000, 0.0001887400000000 ] - [ 0.0019361700000000, -0.0021138300000000, 0.0019163800000000 ] - [ 0.0012357100000000, 0.0002441400000000, 0.0002226600000000 ] - [ 0.0009375300000000, 0.0000607600000000, 0.0001617000000000 ] - [ 0.0007816100000000, 0.0005029400000000, 0.0001770900000000 ] - [ 0.0010070000000000, -0.0000635800000000, 0.0000566400000000 ] - [ 0.0012928200000000, 0.0002872000000000, -0.0000000300000000 ] - [ 0.0017867300000000, 0.0007893000000000, 0.0001901100000000 ] - [ -0.0039122800000000, -0.0017585800000000, -0.0006996200000000 ] - [ -0.0472363500000000, -0.0126846600000000, 0.0149204100000000 ] - [ 0.0026014300000000, 0.0026817200000000, -0.0009500100000000 ] - [ 0.0022569000000000, -0.0001153800000000, -0.0001141600000000 ] - [ 0.0023426200000000, 0.0003179500000000, 0.0000180600000000 ] - [ 0.0019112200000000, 0.0029153700000000, -0.0002629400000000 ] - [ 0.0023006800000000, -0.0002553900000000, 0.0000406800000000 ] - [ 0.0023374800000000, 0.0004550600000000, -0.0001732700000000 ] - [ 0.0017722400000000, -0.0045515500000000, -0.0008622500000000 ] - [ 0.0023951400000000, 0.0000126300000000, 0.0000408300000000 ] - [ 0.0023120500000000, -0.0002217200000000, -0.0001347700000000 ] - [ 0.0017773200000000, -0.0048601300000000, -0.0004948900000000 ] - [ -0.0077894600000000, -0.0002971300000000, 0.0000670700000000 ] - [ -0.0198596500000000, -0.0042047300000000, 0.0058010400000000 ] - [ 0.0023595500000000, -0.0003335400000000, -0.0000596200000000 ] - [ 0.0040835000000000, -0.0000316600000000, 0.0000459300000000 ] - [ 0.0024221900000000, -0.0002742300000000, -0.0002191100000000 ] - [ 0.0048200500000000, -0.0002198000000000, 0.0002785200000000 ] - [ 0.0043007000000000, -0.0000400000000000, 0.0002041300000000 ] - [ 0.0046213800000000, -0.0003337600000000, 0.0002741600000000 ] - [ -0.0043058500000000, 0.0016294200000000, 0.0000709900000000 ] - [ 0.0037522600000000, 0.0000244400000000, -0.0002905300000000 ] - [ 0.0040149900000000, 0.0000484300000000, -0.0000566200000000 ] - [ -0.0222554200000000, -0.0038747800000000, -0.0092108300000000 ] - [ -0.0080887500000000, 0.0067135300000000, -0.0001602000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009523200000000, 0.0004566100000000, 0.0000848700000000 ] - [ 0.0000676600000000, -0.0001202100000000, 0.0000306300000000 ] - [ 0.0011830400000000, -0.0022908000000000, 0.0000451100000000 ] - [ -0.0053316500000000, 0.0295596800000000, -0.0166738400000000 ] - [ 0.0007732500000000, 0.0003313500000000, -0.0000969000000000 ] - [ -0.0000754700000000, -0.0002335000000000, 0.0000266200000000 ] - [ 0.0088386600000000, -0.0002782500000000, -0.0117863100000000 ] - [ 0.0053445200000000, 0.0027821500000000, 0.0017506500000000 ] - [ -0.0298457500000000, -0.1594821700000000, 0.1351221500000000 ] - [ 0.0017055000000000, 0.0012653700000000, 0.0005756000000000 ] - [ 0.0004170100000000, -0.0000003500000000, 0.0001014600000000 ] - [ 0.0001177900000000, 0.0001589300000000, 0.0000215300000000 ] - [ -0.0015071000000000, -0.0107424700000000, -0.0033739000000000 ] - [ 0.0019516700000000, 0.0007767500000000, -0.0003293400000000 ] - [ 0.0003247000000000, 0.0000206200000000, 0.0000710500000000 ] - [ 0.0002281700000000, 0.0001946300000000, 0.0000622800000000 ] - [ -0.0017358000000000, -0.0026453000000000, 0.0010213600000000 ] - [ 0.0002978500000000, -0.0001170900000000, 0.0000321300000000 ] - [ 0.0005252100000000, 0.0002258600000000, -0.0000191100000000 ] - [ 0.0008304100000000, 0.0028083800000000, 0.0004239100000000 ] - [ -0.0003921600000000, -0.0007866900000000, 0.0000418300000000 ] - [ 0.0068502200000000, 0.0079781500000000, 0.0027581700000000 ] - [ 0.0003825600000000, -0.0003455700000000, -0.0002566000000000 ] - [ -0.0008434300000000, -0.0001862900000000, -0.0003106100000000 ] - [ 0.0043071900000000, -0.0008435700000000, -0.0031811400000000 ] - [ 0.0005536000000000, 0.0000135800000000, -0.0001682300000000 ] - [ 0.0000848800000000, -0.0002659100000000, -0.0003602800000000 ] - [ -0.0010649600000000, 0.0007277200000000, -0.0001846500000000 ] - [ 0.0023090900000000, -0.0002780600000000, -0.0003158100000000 ] - [ 0.0001650300000000, -0.0001363900000000, 0.0001132900000000 ] - [ 0.0004476700000000, -0.0003763700000000, 0.0001106100000000 ] - [ -0.0019266800000000, 0.0009197800000000, -0.0005071100000000 ] - [ -0.0023007600000000, 0.0099991500000000, -0.0084090500000000 ] - [ -0.0003848000000000, 0.0023081500000000, -0.0000088800000000 ] - [ 0.0002465500000000, 0.0000550100000000, -0.0001411700000000 ] - [ 0.0003013000000000, -0.0003864000000000, -0.0001591900000000 ] - [ -0.0010801900000000, 0.0050871800000000, 0.0021177900000000 ] - [ -0.0001210800000000, -0.0010078700000000, 0.0009246700000000 ] - [ 0.0001793200000000, -0.0001103400000000, 0.0003658700000000 ] - [ 0.0005101000000000, 0.0000210100000000, 0.0003254600000000 ] - [ -0.0006456700000000, 0.0067556500000000, -0.0028305800000000 ] - [ -0.0028784200000000, -0.0010022800000000, -0.0002919300000000 ] - [ 0.0004008600000000, -0.0003906000000000, -0.0000547300000000 ] - [ 0.0003595000000000, 0.0003584100000000, -0.0000475800000000 ] - [ -0.0000306100000000, 0.0035782900000000, -0.0005606700000000 ] - [ -0.0007350500000000, 0.0007458000000000, 0.0002761700000000 ] - [ 0.0007388200000000, 0.0002209100000000, 0.0000129300000000 ] - [ 0.0001247200000000, 0.0000980300000000, -0.0004106700000000 ] - [ 0.0009896900000000, 0.0003194300000000, -0.0002609000000000 ] - [ 0.0010422800000000, -0.0010126500000000, 0.0002503000000000 ] - [ -0.0004074400000000, 0.0000630600000000, 0.0001850500000000 ] - [ 0.0001197700000000, 0.0000041900000000, 0.0001881400000000 ] - [ 0.0020062300000000, 0.0015536700000000, 0.0007523400000000 ] - [ -0.0002001100000000, 0.0001526100000000, 0.0001801300000000 ] - [ -0.0003342100000000, 0.0000718500000000, 0.0002064800000000 ] - [ -0.0002326500000000, -0.0009479200000000, 0.0002079800000000 ] - [ -0.0007221900000000, -0.0003924700000000, 0.0000275200000000 ] - [ -0.0000025100000000, 0.0002434300000000, 0.0000340700000000 ] - [ -0.0012706200000000, 0.0009254800000000, -0.0001315800000000 ] - [ 0.0019375500000000, -0.0035637900000000, -0.0028103600000000 ] - [ 0.0121328200000000, 0.1085587800000000, -0.0937885900000000 ] - [ -0.0043504600000000, 0.0002695300000000, -0.0002776900000000 ] - [ -0.0005174100000000, -0.0000528900000000, -0.0000737700000000 ] - [ -0.0004296600000000, -0.0004070500000000, -0.0001362500000000 ] - [ -0.0036378400000000, -0.0013322800000000, -0.0001255900000000 ] - [ -0.0002516200000000, -0.0002102200000000, -0.0000957500000000 ] - [ -0.0005978600000000, 0.0003550000000000, -0.0000680200000000 ] - [ 0.0016392000000000, 0.0001106100000000, 0.0002835500000000 ] - [ -0.0002806100000000, 0.0005912900000000, -0.0000545700000000 ] - [ -0.0004130100000000, -0.0002045500000000, -0.0000279200000000 ] - [ 0.0014584900000000, -0.0012435400000000, -0.0011132900000000 ] - [ -0.0003350800000000, -0.0094179200000000, -0.0004995300000000 ] - [ 0.0044999700000000, 0.0148896800000000, -0.0019678100000000 ] - [ -0.0012702100000000, -0.0014008200000000, -0.0000296700000000 ] - [ -0.0005713400000000, 0.0000691500000000, -0.0000899600000000 ] - [ 0.0004950400000000, -0.0009059000000000, -0.0000502700000000 ] - [ -0.0020125900000000, 0.0023758400000000, -0.0001106000000000 ] - [ -0.0002339200000000, -0.0001321800000000, 0.0001490600000000 ] - [ -0.0002274600000000, 0.0006477200000000, 0.0005052300000000 ] - [ 0.0053150500000000, -0.0116934900000000, 0.0007311600000000 ] - [ -0.0011009000000000, -0.0000056500000000, -0.0001439600000000 ] - [ -0.0003404100000000, -0.0000493800000000, -0.0002014900000000 ] - [ 0.0011572300000000, 0.0149849200000000, 0.0023488200000000 ] - [ -0.0036727800000000, -0.0086342300000000, 0.0000699400000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004121200000000, 0.0000130600000000, -0.0000124200000000 ] - [ -0.0006027700000000, -0.0003530800000000, 0.0000419000000000 ] - [ -0.0006418600000000, 0.0018284000000000, 0.0000248000000000 ] - [ 0.0049145200000000, -0.0295788700000000, 0.0170523700000000 ] - [ 0.0000628600000000, 0.0002914500000000, 0.0000107500000000 ] - [ -0.0007577800000000, -0.0003910500000000, -0.0001116100000000 ] - [ -0.0080441100000000, -0.0002459000000000, 0.0117538800000000 ] - [ -0.0062196800000000, -0.0021679100000000, -0.0018652200000000 ] - [ 0.0302957200000000, 0.1615980600000000, -0.1400137000000000 ] - [ -0.0018898800000000, -0.0011563600000000, -0.0003857200000000 ] - [ -0.0002337400000000, 0.0001039200000000, 0.0000895200000000 ] - [ -0.0002930500000000, -0.0002652500000000, 0.0001709000000000 ] - [ 0.0014436900000000, 0.0106384300000000, 0.0033195300000000 ] - [ -0.0019236100000000, -0.0006083500000000, 0.0003729700000000 ] - [ -0.0003527900000000, 0.0001412400000000, -0.0000250100000000 ] - [ -0.0001904200000000, -0.0003602700000000, -0.0000195900000000 ] - [ 0.0023143100000000, 0.0025611100000000, -0.0010120200000000 ] - [ -0.0008951100000000, 0.0002166600000000, -0.0000275900000000 ] - [ 0.0000805900000000, -0.0001252100000000, 0.0000226800000000 ] - [ -0.0014135800000000, -0.0029066300000000, -0.0004161300000000 ] - [ -0.0003654200000000, 0.0003297400000000, 0.0000627000000000 ] - [ -0.0066819600000000, -0.0073522400000000, -0.0033353900000000 ] - [ -0.0002699400000000, -0.0002431600000000, -0.0003503200000000 ] - [ 0.0007332000000000, 0.0007789200000000, -0.0002941200000000 ] - [ -0.0045496900000000, 0.0009949000000000, 0.0026614900000000 ] - [ -0.0002862900000000, -0.0001767500000000, -0.0003323800000000 ] - [ -0.0003465900000000, 0.0001049200000000, -0.0001403100000000 ] - [ 0.0013380900000000, -0.0005590500000000, -0.0003216300000000 ] - [ -0.0019805200000000, 0.0006001900000000, 0.0005017000000000 ] - [ -0.0004848500000000, -0.0001944600000000, 0.0000786600000000 ] - [ -0.0001211100000000, 0.0000486200000000, 0.0000791900000000 ] - [ 0.0016131500000000, -0.0005823300000000, 0.0007066100000000 ] - [ 0.0020518200000000, -0.0103272900000000, 0.0079778000000000 ] - [ 0.0005774700000000, -0.0019133100000000, -0.0003011200000000 ] - [ -0.0004462100000000, 0.0003457600000000, -0.0001701100000000 ] - [ -0.0000936500000000, -0.0000181600000000, -0.0001525200000000 ] - [ 0.0007943400000000, -0.0047537100000000, -0.0013571800000000 ] - [ 0.0004211200000000, 0.0006446000000000, -0.0001389600000000 ] - [ -0.0004522800000000, -0.0002200000000000, 0.0003971700000000 ] - [ -0.0002322800000000, 0.0003080500000000, 0.0004366900000000 ] - [ 0.0007581300000000, -0.0058357600000000, 0.0026679700000000 ] - [ 0.0027601400000000, 0.0000641100000000, 0.0001177000000000 ] - [ -0.0002734500000000, -0.0005240100000000, -0.0001087900000000 ] - [ -0.0004818500000000, 0.0005546000000000, -0.0001146000000000 ] - [ 0.0007994400000000, -0.0040560800000000, 0.0006670900000000 ] - [ -0.0000157900000000, -0.0002946400000000, -0.0001685900000000 ] - [ 0.0000266900000000, 0.0002377600000000, 0.0000907500000000 ] - [ -0.0002295300000000, -0.0006898600000000, -0.0001967000000000 ] - [ -0.0014771200000000, -0.0001055600000000, 0.0007582700000000 ] - [ -0.0006156400000000, 0.0010818700000000, 0.0001189100000000 ] - [ -0.0000133200000000, 0.0000048400000000, 0.0001841400000000 ] - [ 0.0002959700000000, -0.0000725500000000, 0.0001803200000000 ] - [ -0.0024081700000000, -0.0017605700000000, -0.0003410900000000 ] - [ 0.0006091100000000, 0.0000415400000000, 0.0002304900000000 ] - [ -0.0000778900000000, 0.0001237100000000, 0.0002038900000000 ] - [ 0.0006398000000000, 0.0007509200000000, 0.0002021800000000 ] - [ 0.0003318400000000, -0.0001455000000000, 0.0000303900000000 ] - [ 0.0003901500000000, 0.0002947400000000, 0.0000235700000000 ] - [ 0.0008752700000000, -0.0003906500000000, 0.0001883800000000 ] - [ -0.0015431000000000, 0.0029811400000000, 0.0028739900000000 ] - [ -0.0128965100000000, -0.1107771800000000, 0.0985140400000000 ] - [ 0.0045281900000000, -0.0003640400000000, 0.0001033200000000 ] - [ 0.0003358400000000, -0.0000249000000000, -0.0001044700000000 ] - [ 0.0006020400000000, 0.0004845700000000, -0.0000413800000000 ] - [ 0.0034808000000000, 0.0012724000000000, 0.0000084100000000 ] - [ 0.0003986600000000, 0.0002874200000000, -0.0000247100000000 ] - [ 0.0004418300000000, -0.0002805100000000, -0.0000511000000000 ] - [ -0.0014854600000000, -0.0002169200000000, -0.0004066400000000 ] - [ 0.0002745000000000, -0.0001282100000000, -0.0000340200000000 ] - [ 0.0004114800000000, -0.0002589100000000, -0.0000604100000000 ] - [ -0.0014567300000000, 0.0008018400000000, 0.0010166800000000 ] - [ 0.0003252200000000, 0.0098698200000000, 0.0004101100000000 ] - [ -0.0041336000000000, -0.0147263600000000, 0.0016926100000000 ] - [ 0.0011535600000000, 0.0013654000000000, -0.0000845600000000 ] - [ 0.0006817300000000, -0.0001081000000000, -0.0000238200000000 ] - [ -0.0006225400000000, 0.0009361500000000, -0.0000626300000000 ] - [ 0.0009294900000000, -0.0021827800000000, 0.0004030900000000 ] - [ 0.0013091300000000, -0.0000532200000000, 0.0001447000000000 ] - [ -0.0008677800000000, -0.0008335300000000, -0.0002093400000000 ] - [ -0.0042567800000000, 0.0118933200000000, -0.0004428100000000 ] - [ 0.0005335200000000, -0.0001085100000000, -0.0001888700000000 ] - [ 0.0008934400000000, 0.0001622900000000, -0.0001310200000000 ] - [ -0.0016774400000000, -0.0148085500000000, -0.0026050400000000 ] - [ 0.0042871300000000, 0.0084898100000000, -0.0004086400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001086600000000, 0.0000792400000000, 0.0000280300000000 ] - [ -0.0003014100000000, -0.0002671200000000, 0.0000368300000000 ] - [ 0.0014033800000000, 0.0018401900000000, 0.0000800400000000 ] - [ 0.0009430400000000, -0.0127161800000000, 0.0006124500000000 ] - [ 0.0003808000000000, 0.0002820900000000, -0.0000334300000000 ] - [ -0.0004428000000000, -0.0003682700000000, -0.0000608100000000 ] - [ -0.0125816200000000, -0.0112132800000000, 0.0126001700000000 ] - [ 0.0008762600000000, 0.0034746000000000, 0.0000837700000000 ] - [ 0.0211539200000000, 0.1408940600000000, -0.2406489300000000 ] - [ -0.0009907700000000, -0.0004300200000000, 0.0009514500000000 ] - [ 0.0000596800000000, 0.0000475100000000, 0.0000866700000000 ] - [ -0.0000285800000000, -0.0001274100000000, 0.0001450500000000 ] - [ 0.0044284000000000, -0.0021001200000000, 0.0513919500000000 ] - [ -0.0004558700000000, 0.0001823400000000, -0.0006727100000000 ] - [ -0.0000435000000000, 0.0000802200000000, 0.0000225700000000 ] - [ 0.0000843500000000, -0.0001976800000000, -0.0000477800000000 ] - [ -0.0006505800000000, 0.0019923100000000, 0.0003891900000000 ] - [ -0.0004780700000000, 0.0001597900000000, 0.0000066300000000 ] - [ 0.0003333200000000, -0.0000261900000000, 0.0000246200000000 ] - [ 0.0004691800000000, -0.0007504200000000, 0.0002890300000000 ] - [ -0.0002670200000000, 0.0000950500000000, 0.0000229800000000 ] - [ 0.0027190300000000, 0.0020444500000000, -0.0012281100000000 ] - [ 0.0000309400000000, -0.0002461100000000, -0.0003144100000000 ] - [ 0.0001127200000000, 0.0007859000000000, -0.0001654900000000 ] - [ -0.0023647400000000, 0.0006956100000000, 0.0034099300000000 ] - [ 0.0000375500000000, -0.0001520100000000, -0.0003130400000000 ] - [ -0.0000858600000000, -0.0000102800000000, -0.0002117200000000 ] - [ 0.0007516600000000, 0.0001764000000000, -0.0005236400000000 ] - [ -0.0002152800000000, -0.0002492900000000, -0.0006267800000000 ] - [ -0.0002147500000000, -0.0002091900000000, 0.0001233300000000 ] - [ 0.0001794900000000, -0.0000465700000000, -0.0000042400000000 ] - [ 0.0008076200000000, 0.0000419100000000, 0.0008144300000000 ] - [ 0.0006158400000000, -0.0094062700000000, 0.0050660900000000 ] - [ -0.0006902700000000, -0.0012124100000000, 0.0001635000000000 ] - [ -0.0001427000000000, 0.0002411400000000, -0.0001581800000000 ] - [ 0.0001318200000000, -0.0001167500000000, -0.0001579400000000 ] - [ 0.0002455000000000, -0.0016719600000000, -0.0013480000000000 ] - [ 0.0025073800000000, -0.0031004400000000, 0.0035081700000000 ] - [ -0.0001647400000000, -0.0001660000000000, 0.0003838700000000 ] - [ 0.0000491500000000, 0.0002462000000000, 0.0004310600000000 ] - [ 0.0002574100000000, -0.0024403300000000, 0.0017755600000000 ] - [ 0.0003280100000000, -0.0006752800000000, -0.0014569300000000 ] - [ 0.0000375000000000, -0.0004546400000000, -0.0000769400000000 ] - [ -0.0001599500000000, 0.0005222200000000, -0.0001287800000000 ] - [ 0.0009770900000000, -0.0036025300000000, 0.0005964600000000 ] - [ -0.0000773400000000, -0.0002657800000000, 0.0003483900000000 ] - [ 0.0003361500000000, 0.0002521600000000, 0.0000625900000000 ] - [ -0.0000542900000000, -0.0006134400000000, -0.0002730300000000 ] - [ 0.0001961400000000, -0.0014671000000000, 0.0019994200000000 ] - [ -0.0000375100000000, 0.0005986500000000, 0.0002424500000000 ] - [ -0.0001911000000000, 0.0000210000000000, 0.0001849900000000 ] - [ 0.0002033000000000, -0.0000619100000000, 0.0001837100000000 ] - [ -0.0026369900000000, -0.0000027800000000, 0.0002226000000000 ] - [ 0.0002588100000000, 0.0000110500000000, 0.0002198700000000 ] - [ -0.0002229600000000, 0.0001180100000000, 0.0002096600000000 ] - [ 0.0003753400000000, 0.0003233900000000, 0.0002647100000000 ] - [ -0.0000691000000000, -0.0001622900000000, 0.0000325200000000 ] - [ 0.0002118500000000, 0.0002810000000000, 0.0000278300000000 ] - [ 0.0010504900000000, -0.0001840100000000, 0.0001486100000000 ] - [ 0.0006204400000000, -0.0022385800000000, -0.0010272400000000 ] - [ -0.0180712400000000, -0.0988140300000000, 0.1522527100000000 ] - [ 0.0007587800000000, -0.0009705000000000, -0.0010508400000000 ] - [ -0.0000535500000000, -0.0000161000000000, -0.0000935300000000 ] - [ 0.0001350500000000, 0.0002565500000000, -0.0000664400000000 ] - [ -0.0024517400000000, 0.0018540600000000, -0.0010367900000000 ] - [ 0.0000889400000000, 0.0001766800000000, -0.0000760500000000 ] - [ 0.0000038800000000, -0.0001601200000000, -0.0000561600000000 ] - [ -0.0004366100000000, -0.0012238300000000, -0.0005675200000000 ] - [ 0.0000063000000000, 0.0000500600000000, -0.0000646700000000 ] - [ 0.0000340100000000, -0.0002579900000000, -0.0000462700000000 ] - [ 0.0005978900000000, 0.0006339200000000, -0.0012809900000000 ] - [ 0.0003112100000000, 0.0050391200000000, 0.0010487700000000 ] - [ -0.0109598200000000, -0.0112010600000000, 0.0058948600000000 ] - [ 0.0006555500000000, 0.0005988600000000, 0.0000031000000000 ] - [ 0.0000679400000000, -0.0000504500000000, -0.0000458500000000 ] - [ -0.0006624000000000, 0.0000555000000000, -0.0000352600000000 ] - [ 0.0002806800000000, -0.0005955200000000, 0.0003059800000000 ] - [ 0.0006490200000000, -0.0000900100000000, 0.0001448300000000 ] - [ -0.0012570800000000, -0.0000970400000000, 0.0004867300000000 ] - [ -0.0016449900000000, 0.0034723500000000, -0.0007779300000000 ] - [ -0.0001483600000000, -0.0000428000000000, -0.0001697900000000 ] - [ 0.0002849300000000, 0.0000899100000000, -0.0001574300000000 ] - [ 0.0094055300000000, -0.0027199700000000, 0.0060890500000000 ] - [ 0.0026916400000000, 0.0054785300000000, 0.0015864500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004178800000000, 0.0003798100000000, 0.0000404100000000 ] - [ -0.0002312200000000, -0.0001959300000000, 0.0000325500000000 ] - [ -0.0009023200000000, -0.0023281600000000, -0.0000033200000000 ] - [ -0.0014940200000000, 0.0132669800000000, -0.0006789300000000 ] - [ 0.0004583800000000, 0.0003386100000000, -0.0000569800000000 ] - [ -0.0004045000000000, -0.0002497000000000, -0.0000290700000000 ] - [ 0.0133313500000000, 0.0104828700000000, -0.0127206300000000 ] - [ -0.0017014500000000, -0.0028747500000000, -0.0001546800000000 ] - [ -0.0195897400000000, -0.1342862500000000, 0.2342571100000000 ] - [ 0.0008156000000000, 0.0005222100000000, -0.0007721500000000 ] - [ 0.0001214700000000, 0.0000525900000000, 0.0000997900000000 ] - [ -0.0001560800000000, 0.0000284200000000, 0.0000421700000000 ] - [ -0.0043122300000000, 0.0018085400000000, -0.0509646100000000 ] - [ 0.0004915100000000, -0.0000268000000000, 0.0007221900000000 ] - [ 0.0000117900000000, 0.0000798700000000, 0.0000207400000000 ] - [ -0.0000529700000000, 0.0000367600000000, 0.0000875500000000 ] - [ 0.0012478300000000, -0.0021036900000000, -0.0003605800000000 ] - [ -0.0001193100000000, -0.0000620100000000, -0.0000005700000000 ] - [ 0.0002665100000000, 0.0001327800000000, -0.0000203400000000 ] - [ -0.0010835700000000, 0.0006453300000000, -0.0002884500000000 ] - [ -0.0004725900000000, -0.0005528600000000, 0.0000852700000000 ] - [ -0.0026629000000000, -0.0014812900000000, 0.0006097900000000 ] - [ 0.0000884600000000, -0.0003389600000000, -0.0002871100000000 ] - [ -0.0002394200000000, -0.0002044100000000, -0.0004359800000000 ] - [ 0.0021033300000000, -0.0005370100000000, -0.0039330200000000 ] - [ 0.0002250000000000, -0.0000085000000000, -0.0001863500000000 ] - [ -0.0001813900000000, -0.0001509500000000, -0.0002901200000000 ] - [ -0.0004934200000000, -0.0000136600000000, 0.0000229100000000 ] - [ 0.0005496900000000, 0.0005780100000000, 0.0008333100000000 ] - [ -0.0001121100000000, -0.0001165400000000, 0.0000649600000000 ] - [ 0.0001429600000000, -0.0002787600000000, 0.0001954300000000 ] - [ -0.0011428800000000, 0.0002819400000000, -0.0006338800000000 ] - [ -0.0008439700000000, 0.0091151200000000, -0.0053905300000000 ] - [ 0.0009049100000000, 0.0016402400000000, -0.0004804400000000 ] - [ -0.0000638700000000, 0.0001762400000000, -0.0001539500000000 ] - [ 0.0000739300000000, -0.0003039600000000, -0.0001542500000000 ] - [ -0.0005161300000000, 0.0020226300000000, 0.0021410300000000 ] - [ -0.0022533500000000, 0.0027932100000000, -0.0027582000000000 ] - [ -0.0001141300000000, -0.0001773400000000, 0.0003986300000000 ] - [ 0.0002246800000000, 0.0000938500000000, 0.0003463500000000 ] - [ -0.0001258000000000, 0.0033824200000000, -0.0019567700000000 ] - [ -0.0004281000000000, -0.0002409800000000, 0.0013094900000000 ] - [ 0.0000876300000000, -0.0004609500000000, -0.0000859100000000 ] - [ 0.0000294100000000, 0.0003888700000000, -0.0000286300000000 ] - [ -0.0002392300000000, 0.0031718400000000, -0.0004999600000000 ] - [ -0.0006588100000000, 0.0007243900000000, -0.0002449700000000 ] - [ 0.0004084700000000, 0.0002051200000000, 0.0000433600000000 ] - [ -0.0000655200000000, 0.0000311600000000, -0.0003288200000000 ] - [ -0.0006393300000000, 0.0014542800000000, -0.0015994300000000 ] - [ 0.0004615200000000, -0.0005354500000000, 0.0001253500000000 ] - [ -0.0002347100000000, 0.0000467100000000, 0.0001854900000000 ] - [ 0.0002220600000000, -0.0000040200000000, 0.0001857200000000 ] - [ 0.0022284400000000, -0.0001900200000000, 0.0002033500000000 ] - [ 0.0001550600000000, 0.0001870800000000, 0.0001901400000000 ] - [ -0.0001862600000000, 0.0000799700000000, 0.0002012000000000 ] - [ 0.0000337800000000, -0.0005251800000000, 0.0001455200000000 ] - [ -0.0003150800000000, -0.0003765200000000, 0.0000252700000000 ] - [ 0.0001770100000000, 0.0002580200000000, 0.0000299400000000 ] - [ -0.0014412600000000, 0.0007230400000000, -0.0000868000000000 ] - [ -0.0002312700000000, 0.0016847900000000, 0.0010515700000000 ] - [ 0.0167521200000000, 0.0919445600000000, -0.1452141800000000 ] - [ -0.0005890600000000, 0.0009094400000000, 0.0008698900000000 ] - [ -0.0001338700000000, -0.0000652800000000, -0.0000854900000000 ] - [ 0.0000552000000000, -0.0001763100000000, -0.0001119300000000 ] - [ 0.0023215600000000, -0.0019471200000000, 0.0009191000000000 ] - [ 0.0000734100000000, -0.0001028300000000, -0.0000461900000000 ] - [ -0.0001624800000000, 0.0002365100000000, -0.0000660000000000 ] - [ 0.0006031700000000, 0.0011505300000000, 0.0004468500000000 ] - [ 0.0000111800000000, 0.0004138900000000, -0.0000231600000000 ] - [ -0.0000484100000000, -0.0002024600000000, -0.0000419400000000 ] - [ -0.0005920500000000, -0.0010965500000000, 0.0012172400000000 ] - [ -0.0003325800000000, -0.0046037400000000, -0.0011456200000000 ] - [ 0.0115128800000000, 0.0115232300000000, -0.0063011400000000 ] - [ -0.0007505400000000, -0.0006322700000000, -0.0001169700000000 ] - [ 0.0000297200000000, 0.0000147800000000, -0.0000679700000000 ] - [ 0.0005762100000000, -0.0000199300000000, -0.0000782300000000 ] - [ -0.0013394800000000, 0.0007898500000000, -0.0000156700000000 ] - [ 0.0004111500000000, -0.0000936400000000, 0.0001450700000000 ] - [ 0.0002110600000000, -0.0000969500000000, -0.0002055300000000 ] - [ 0.0027164700000000, -0.0033124800000000, 0.0010743100000000 ] - [ -0.0004105700000000, -0.0000801300000000, -0.0001612000000000 ] - [ 0.0002805600000000, 0.0000331700000000, -0.0001726300000000 ] - [ -0.0105980700000000, 0.0028448400000000, -0.0070119000000000 ] - [ -0.0021672600000000, -0.0056202000000000, -0.0019178800000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024137800000000, 0.0011083900000000, 0.0001272600000000 ] - [ 0.0016453200000000, 0.0002158700000000, 0.0000049300000000 ] - [ 0.0032830200000000, 0.0011847700000000, -0.0001189000000000 ] - [ -0.0128902900000000, -0.0023993400000000, -0.0018279300000000 ] - [ 0.0023076500000000, 0.0002274400000000, -0.0003036700000000 ] - [ 0.0013947700000000, -0.0003114000000000, 0.0002239900000000 ] - [ 0.0243019600000000, 0.0193321400000000, 0.0187117000000000 ] - [ -0.0008803200000000, 0.0045224400000000, -0.0010761300000000 ] - [ -0.0156056100000000, -0.0015317100000000, 0.0045303000000000 ] - [ 0.0005849700000000, 0.0019828000000000, 0.0005643100000000 ] - [ 0.0020075600000000, -0.0002885200000000, 0.0000665100000000 ] - [ 0.0015439700000000, -0.0002594100000000, 0.0000254200000000 ] - [ -0.1177735600000000, -0.0545559900000000, -0.0904772200000000 ] - [ 0.0011960100000000, 0.0016565400000000, -0.0005546800000000 ] - [ 0.0019916800000000, -0.0002971300000000, 0.0003505200000000 ] - [ 0.0016560400000000, -0.0002824400000000, -0.0001619000000000 ] - [ 0.0064156400000000, -0.0037505000000000, 0.0041155900000000 ] - [ 0.0016537300000000, -0.0001006800000000, 0.0001189800000000 ] - [ 0.0022657500000000, 0.0003356700000000, -0.0000790800000000 ] - [ -0.0001739500000000, 0.0021803300000000, -0.0000677100000000 ] - [ 0.0020288900000000, -0.0006880700000000, 0.0004259100000000 ] - [ -0.0016544200000000, 0.0053691400000000, 0.0013845200000000 ] - [ 0.0020117200000000, -0.0000888900000000, -0.0000884600000000 ] - [ 0.0014719800000000, -0.0008071500000000, -0.0007739900000000 ] - [ 0.0048223200000000, 0.0037410400000000, -0.0005202300000000 ] - [ 0.0018479400000000, -0.0003924800000000, -0.0003072700000000 ] - [ 0.0018712700000000, 0.0002330000000000, -0.0002006900000000 ] - [ -0.0003778600000000, -0.0015128200000000, 0.0006293700000000 ] - [ 0.0024125900000000, 0.0009150000000000, 0.0004299000000000 ] - [ 0.0016606800000000, -0.0005592100000000, 0.0004540900000000 ] - [ 0.0023441900000000, 0.0002415600000000, -0.0003212400000000 ] - [ -0.0003019900000000, -0.0025231100000000, -0.0008784400000000 ] - [ -0.0076781400000000, -0.0058212400000000, -0.0019637300000000 ] - [ -0.0004233900000000, -0.0008572200000000, -0.0002497200000000 ] - [ 0.0019030500000000, -0.0003282900000000, -0.0000665400000000 ] - [ 0.0020847300000000, -0.0010244200000000, -0.0002282100000000 ] - [ -0.0052205000000000, 0.0007442800000000, 0.0005128600000000 ] - [ 0.0021157300000000, -0.0024815400000000, 0.0008356700000000 ] - [ 0.0017244800000000, 0.0001208000000000, 0.0003088000000000 ] - [ 0.0022345900000000, 0.0003973800000000, 0.0004525900000000 ] - [ -0.0050231600000000, 0.0017421400000000, -0.0008003400000000 ] - [ 0.0033090000000000, -0.0051118800000000, -0.0036386700000000 ] - [ 0.0020504300000000, -0.0000845000000000, 0.0001269500000000 ] - [ 0.0022012700000000, 0.0008336200000000, -0.0002415500000000 ] - [ -0.0046928000000000, 0.0031684500000000, -0.0002842000000000 ] - [ 0.0015091800000000, -0.0007768700000000, -0.0000035400000000 ] - [ 0.0022590400000000, 0.0004175100000000, -0.0001085300000000 ] - [ 0.0015575700000000, -0.0007191700000000, -0.0004728100000000 ] - [ 0.0030923500000000, 0.0016302100000000, -0.0003841000000000 ] - [ 0.0010712600000000, 0.0003378500000000, 0.0001505900000000 ] - [ -0.0014313900000000, 0.0000797400000000, 0.0001902700000000 ] - [ -0.0009503200000000, 0.0000828600000000, 0.0001833900000000 ] - [ -0.0030462400000000, 0.0023960300000000, 0.0031255400000000 ] - [ -0.0010014800000000, -0.0000379400000000, 0.0001857300000000 ] - [ -0.0013693800000000, 0.0001244800000000, 0.0002470300000000 ] - [ -0.0001155700000000, -0.0007145300000000, 0.0001664000000000 ] - [ -0.0014190000000000, -0.0005407500000000, 0.0000328200000000 ] - [ -0.0009537600000000, 0.0002427700000000, 0.0000598900000000 ] - [ -0.0026427500000000, 0.0002263100000000, -0.0001133500000000 ] - [ 0.0057594200000000, 0.0000209700000000, -0.0002234700000000 ] - [ 0.0743936100000000, 0.0303107200000000, 0.0585970500000000 ] - [ -0.0017165600000000, -0.0029123400000000, 0.0003818600000000 ] - [ -0.0025474300000000, 0.0000235300000000, -0.0000612600000000 ] - [ -0.0022247500000000, -0.0003460900000000, -0.0002092400000000 ] - [ -0.0008318900000000, -0.0046372600000000, 0.0017584900000000 ] - [ -0.0022053500000000, 0.0002044700000000, -0.0001588100000000 ] - [ -0.0027079800000000, -0.0001994000000000, 0.0000511700000000 ] - [ -0.0023708700000000, 0.0054412600000000, 0.0001288700000000 ] - [ -0.0027141900000000, 0.0004427900000000, -0.0001484500000000 ] - [ -0.0024446800000000, -0.0002245100000000, 0.0000540000000000 ] - [ -0.0013392300000000, 0.0030931600000000, 0.0003079700000000 ] - [ 0.0078895400000000, 0.0007843200000000, -0.0005332600000000 ] - [ 0.0203117700000000, 0.0030024100000000, 0.0037512300000000 ] - [ -0.0030164200000000, -0.0002830400000000, 0.0000499700000000 ] - [ -0.0041406400000000, 0.0000425200000000, -0.0001745400000000 ] - [ -0.0026360100000000, 0.0008319800000000, 0.0002393100000000 ] - [ -0.0064921600000000, 0.0003003200000000, -0.0002594900000000 ] - [ -0.0034744400000000, -0.0001703700000000, 0.0000865800000000 ] - [ -0.0054941800000000, 0.0006971800000000, 0.0000951500000000 ] - [ 0.0075305100000000, -0.0014095900000000, 0.0007340400000000 ] - [ -0.0045445900000000, -0.0001789400000000, -0.0000311200000000 ] - [ -0.0036114400000000, 0.0000904600000000, -0.0002844200000000 ] - [ 0.0142927400000000, 0.0070134300000000, 0.0043246300000000 ] - [ 0.0077149800000000, -0.0088813700000000, -0.0009052300000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018846400000000, -0.0006473900000000, -0.0000571100000000 ] - [ -0.0021768300000000, -0.0006775000000000, 0.0000646900000000 ] - [ -0.0027576700000000, -0.0016573200000000, 0.0001834500000000 ] - [ 0.0123873200000000, 0.0030297300000000, 0.0020332300000000 ] - [ -0.0014639000000000, 0.0003939100000000, 0.0002129400000000 ] - [ -0.0022454600000000, -0.0003061400000000, -0.0003134900000000 ] - [ -0.0238696200000000, -0.0202896000000000, -0.0191069000000000 ] - [ 0.0000762000000000, -0.0039225300000000, 0.0009887600000000 ] - [ 0.0158911500000000, 0.0014166700000000, -0.0042050700000000 ] - [ -0.0007571800000000, -0.0018910000000000, -0.0003814700000000 ] - [ -0.0018256800000000, 0.0003894300000000, 0.0001207400000000 ] - [ -0.0017278500000000, 0.0001601200000000, 0.0001623900000000 ] - [ 0.1185981100000000, 0.0548517600000000, 0.0911799100000000 ] - [ -0.0011557900000000, -0.0015006100000000, 0.0005978000000000 ] - [ -0.0020221200000000, 0.0004571800000000, -0.0003060200000000 ] - [ -0.0016250000000000, 0.0001222800000000, 0.0002030100000000 ] - [ -0.0057791800000000, 0.0036076100000000, -0.0040563400000000 ] - [ -0.0022505900000000, 0.0001981200000000, -0.0001129400000000 ] - [ -0.0016638500000000, -0.0002285000000000, 0.0000830300000000 ] - [ -0.0004412200000000, -0.0022723100000000, 0.0000673000000000 ] - [ -0.0027635100000000, 0.0002271600000000, -0.0003173600000000 ] - [ 0.0017228000000000, -0.0047543600000000, -0.0019623300000000 ] - [ -0.0018889700000000, -0.0004970500000000, -0.0005129400000000 ] - [ -0.0016025800000000, 0.0013827000000000, 0.0001712400000000 ] - [ -0.0050328200000000, -0.0035405800000000, 0.0000161100000000 ] - [ -0.0015825000000000, 0.0002308800000000, -0.0001932600000000 ] - [ -0.0021391800000000, -0.0003960600000000, -0.0003027800000000 ] - [ 0.0006257700000000, 0.0016696800000000, -0.0011300200000000 ] - [ -0.0020871100000000, -0.0005838600000000, -0.0002420800000000 ] - [ -0.0019855900000000, 0.0002336600000000, -0.0002661200000000 ] - [ -0.0020212800000000, -0.0005673300000000, 0.0005101100000000 ] - [ -0.0000463600000000, 0.0028349900000000, 0.0010567800000000 ] - [ 0.0074922400000000, 0.0053621600000000, 0.0016369100000000 ] - [ 0.0006406200000000, 0.0012910400000000, -0.0000617200000000 ] - [ -0.0021072600000000, 0.0007450400000000, -0.0002464000000000 ] - [ -0.0018784400000000, 0.0006016200000000, -0.0000850500000000 ] - [ 0.0049490100000000, -0.0003886300000000, 0.0002655000000000 ] - [ -0.0018401600000000, 0.0021467500000000, -0.0000547200000000 ] - [ -0.0020001900000000, -0.0004626800000000, 0.0004709400000000 ] - [ -0.0019607600000000, -0.0000591000000000, 0.0003221700000000 ] - [ 0.0051532600000000, -0.0008160100000000, 0.0006378500000000 ] - [ -0.0034630900000000, 0.0042428400000000, 0.0035245100000000 ] - [ -0.0019219300000000, -0.0008295600000000, -0.0002899400000000 ] - [ -0.0023318900000000, 0.0000768000000000, 0.0000836800000000 ] - [ 0.0054132800000000, -0.0036050400000000, 0.0003849500000000 ] - [ -0.0022471900000000, 0.0012415100000000, 0.0001141300000000 ] - [ -0.0015124400000000, 0.0000403800000000, 0.0002134400000000 ] - [ -0.0016778900000000, 0.0001370200000000, -0.0001298400000000 ] - [ -0.0035331500000000, -0.0016764000000000, 0.0007487500000000 ] - [ -0.0006582300000000, -0.0002753000000000, 0.0002190500000000 ] - [ 0.0010045100000000, -0.0000120800000000, 0.0001801900000000 ] - [ 0.0013746700000000, -0.0001477700000000, 0.0001861700000000 ] - [ 0.0027053700000000, -0.0025908000000000, -0.0027304400000000 ] - [ 0.0014127500000000, 0.0002367400000000, 0.0002248200000000 ] - [ 0.0009574400000000, 0.0000731700000000, 0.0001636000000000 ] - [ 0.0005309400000000, 0.0005119900000000, 0.0002436000000000 ] - [ 0.0010322500000000, 0.0000019400000000, 0.0000254700000000 ] - [ 0.0013419100000000, 0.0002959600000000, -0.0000023300000000 ] - [ 0.0022534400000000, 0.0003127000000000, 0.0001701100000000 ] - [ -0.0053646800000000, -0.0005884500000000, 0.0002900100000000 ] - [ -0.0744604400000000, -0.0309851600000000, -0.0603261900000000 ] - [ 0.0018867600000000, 0.0028469600000000, -0.0005626000000000 ] - [ 0.0023569900000000, -0.0001043100000000, -0.0001163700000000 ] - [ 0.0024139200000000, 0.0004239700000000, 0.0000319100000000 ] - [ 0.0006894000000000, 0.0045288800000000, -0.0018590800000000 ] - [ 0.0023660600000000, -0.0001320800000000, 0.0000355600000000 ] - [ 0.0025462200000000, 0.0002766000000000, -0.0001745700000000 ] - [ 0.0025455700000000, -0.0054841400000000, -0.0002455100000000 ] - [ 0.0027276400000000, 0.0000217500000000, 0.0000584400000000 ] - [ 0.0024278400000000, -0.0002349600000000, -0.0001441300000000 ] - [ 0.0013472200000000, -0.0035717500000000, -0.0004047300000000 ] - [ -0.0078629500000000, -0.0003137300000000, 0.0004378200000000 ] - [ -0.0199392100000000, -0.0025969400000000, -0.0035065400000000 ] - [ 0.0029140900000000, 0.0002454900000000, -0.0001640100000000 ] - [ 0.0042356100000000, -0.0000795800000000, 0.0000605800000000 ] - [ 0.0025534700000000, -0.0007924900000000, -0.0003524700000000 ] - [ 0.0054230900000000, -0.0001089600000000, 0.0005426600000000 ] - [ 0.0045296000000000, -0.0000110300000000, 0.0002037900000000 ] - [ 0.0044504400000000, -0.0008846500000000, 0.0001983600000000 ] - [ -0.0064169600000000, 0.0015309500000000, -0.0004308500000000 ] - [ 0.0039817300000000, 0.0000561600000000, -0.0003008500000000 ] - [ 0.0041734300000000, 0.0000323200000000, -0.0000467200000000 ] - [ -0.0159203600000000, -0.0067676500000000, -0.0042067000000000 ] - [ -0.0072384400000000, 0.0087647200000000, 0.0005815400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011073200000000, 0.0005306900000000, 0.0000444100000000 ] - [ 0.0000947100000000, -0.0001145800000000, 0.0000289600000000 ] - [ 0.0004483600000000, -0.0021344900000000, -0.0001732100000000 ] - [ 0.0018690100000000, 0.0197283700000000, 0.0202891100000000 ] - [ 0.0008174600000000, 0.0003397500000000, -0.0001052100000000 ] - [ -0.0000416100000000, -0.0002007200000000, 0.0000376900000000 ] - [ 0.0165119000000000, -0.0027866500000000, 0.0081202100000000 ] - [ 0.0028445400000000, -0.0000011400000000, 0.0001065700000000 ] - [ -0.0031483700000000, -0.0107700600000000, -0.0017709800000000 ] - [ 0.0010835500000000, 0.0007547900000000, -0.0000015400000000 ] - [ 0.0004530600000000, -0.0000050000000000, 0.0001008100000000 ] - [ 0.0000899200000000, 0.0002213500000000, -0.0000163500000000 ] - [ -0.0545230900000000, -0.1070320300000000, -0.1028200600000000 ] - [ 0.0015964600000000, 0.0007787800000000, 0.0000431200000000 ] - [ 0.0003639400000000, 0.0000143200000000, 0.0000770800000000 ] - [ 0.0002220600000000, 0.0003053600000000, 0.0001118000000000 ] - [ -0.0018670300000000, -0.0040495500000000, -0.0010728100000000 ] - [ 0.0002540300000000, -0.0000865300000000, 0.0000088500000000 ] - [ 0.0005786900000000, 0.0001927300000000, -0.0000238500000000 ] - [ 0.0004090400000000, 0.0027870900000000, 0.0004376700000000 ] - [ -0.0005482500000000, -0.0009340700000000, 0.0000819300000000 ] - [ 0.0023829100000000, 0.0065815400000000, 0.0003888400000000 ] - [ 0.0004104600000000, -0.0003204900000000, -0.0002553900000000 ] - [ -0.0009214300000000, -0.0004512200000000, -0.0004131200000000 ] - [ 0.0034776500000000, -0.0001717300000000, -0.0006984000000000 ] - [ 0.0005408800000000, -0.0000255000000000, -0.0001935300000000 ] - [ 0.0001448800000000, -0.0001623700000000, -0.0003122300000000 ] - [ -0.0010694700000000, 0.0008564100000000, -0.0003544100000000 ] - [ 0.0044356300000000, -0.0001015600000000, 0.0011694000000000 ] - [ 0.0001894200000000, -0.0001657400000000, 0.0001230000000000 ] - [ 0.0005077200000000, -0.0002951100000000, 0.0001172900000000 ] - [ -0.0027217200000000, 0.0018154100000000, -0.0003570500000000 ] - [ -0.0047268500000000, 0.0116258400000000, 0.0055726300000000 ] - [ -0.0000212500000000, 0.0018029200000000, -0.0001403000000000 ] - [ 0.0002748500000000, 0.0000422700000000, -0.0001409700000000 ] - [ 0.0002590300000000, -0.0004238200000000, -0.0001563600000000 ] - [ -0.0006084200000000, 0.0063268400000000, 0.0031777000000000 ] - [ -0.0008704800000000, -0.0005627300000000, -0.0000218200000000 ] - [ 0.0001950100000000, -0.0001044500000000, 0.0003664600000000 ] - [ 0.0005341800000000, -0.0000243000000000, 0.0002828900000000 ] - [ -0.0010651600000000, 0.0054991600000000, -0.0021237600000000 ] - [ -0.0006547500000000, -0.0008198800000000, 0.0004472800000000 ] - [ 0.0004167300000000, -0.0003850200000000, -0.0000535300000000 ] - [ 0.0004084200000000, 0.0002825900000000, -0.0000194100000000 ] - [ -0.0002602200000000, 0.0047125500000000, -0.0007258100000000 ] - [ -0.0004814600000000, 0.0005404300000000, 0.0000194800000000 ] - [ 0.0007534500000000, 0.0002309700000000, 0.0000132100000000 ] - [ 0.0001499700000000, -0.0000154900000000, -0.0003844600000000 ] - [ 0.0022243900000000, -0.0028670500000000, 0.0021404500000000 ] - [ 0.0010610200000000, -0.0008085800000000, 0.0002108500000000 ] - [ -0.0004239900000000, 0.0000697100000000, 0.0001843800000000 ] - [ 0.0001273300000000, 0.0000133400000000, 0.0001906400000000 ] - [ 0.0025388000000000, 0.0025767600000000, -0.0005812500000000 ] - [ -0.0001330000000000, 0.0001531300000000, 0.0001674200000000 ] - [ -0.0003717400000000, 0.0000802300000000, 0.0002091500000000 ] - [ -0.0003051800000000, -0.0011662600000000, 0.0003011900000000 ] - [ -0.0008280700000000, -0.0004309600000000, -0.0000310600000000 ] - [ -0.0000200400000000, 0.0002460000000000, 0.0000347300000000 ] - [ -0.0013443600000000, 0.0007280500000000, 0.0000435900000000 ] - [ 0.0009482600000000, 0.0000120400000000, 0.0010006400000000 ] - [ 0.0274747700000000, 0.0696697600000000, 0.0564200300000000 ] - [ -0.0028369000000000, 0.0001579800000000, -0.0006950400000000 ] - [ -0.0005643800000000, -0.0000492400000000, -0.0000723000000000 ] - [ -0.0004979900000000, -0.0005658800000000, -0.0001376500000000 ] - [ -0.0038063600000000, -0.0023827500000000, -0.0009612400000000 ] - [ -0.0002917200000000, -0.0001345600000000, -0.0000912500000000 ] - [ -0.0006192700000000, 0.0002545800000000, -0.0000491900000000 ] - [ 0.0025243800000000, 0.0004039300000000, 0.0010560900000000 ] - [ -0.0002069900000000, 0.0007168500000000, -0.0000676800000000 ] - [ -0.0004372700000000, -0.0001994200000000, -0.0000277600000000 ] - [ 0.0005294400000000, -0.0005810600000000, 0.0002389300000000 ] - [ 0.0000695700000000, -0.0098269000000000, -0.0002418700000000 ] - [ 0.0065203000000000, 0.0156187700000000, 0.0089609600000000 ] - [ -0.0011887900000000, -0.0010394700000000, 0.0000556100000000 ] - [ -0.0006569400000000, 0.0000550900000000, -0.0000905700000000 ] - [ 0.0008472800000000, -0.0010656800000000, -0.0001883800000000 ] - [ -0.0023169600000000, 0.0029974700000000, 0.0001774800000000 ] - [ -0.0002569700000000, -0.0001273500000000, 0.0001446200000000 ] - [ -0.0005601100000000, 0.0003453500000000, 0.0001004600000000 ] - [ 0.0047421800000000, -0.0118498100000000, 0.0009422300000000 ] - [ -0.0012078500000000, 0.0000137900000000, -0.0001350700000000 ] - [ -0.0003645300000000, -0.0000819700000000, -0.0002108500000000 ] - [ 0.0028354900000000, 0.0133148900000000, 0.0022126100000000 ] - [ -0.0034994600000000, -0.0080767200000000, -0.0000427400000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005560000000000, -0.0000440200000000, 0.0000305000000000 ] - [ -0.0006319900000000, -0.0003671800000000, 0.0000463800000000 ] - [ 0.0001057400000000, 0.0016555200000000, 0.0002451100000000 ] - [ -0.0024280500000000, -0.0194691200000000, -0.0205332400000000 ] - [ 0.0000137900000000, 0.0002874800000000, 0.0000221900000000 ] - [ -0.0007797500000000, -0.0004260800000000, -0.0001188800000000 ] - [ -0.0156910900000000, 0.0023176400000000, -0.0081950200000000 ] - [ -0.0036797500000000, 0.0006537300000000, -0.0001870400000000 ] - [ 0.0033400100000000, 0.0106090400000000, 0.0021373700000000 ] - [ -0.0012600200000000, -0.0006275500000000, 0.0002051000000000 ] - [ -0.0002690800000000, 0.0001188900000000, 0.0000989400000000 ] - [ -0.0002608900000000, -0.0003354500000000, 0.0002165100000000 ] - [ 0.0548912700000000, 0.1067452900000000, 0.1041598300000000 ] - [ -0.0015634100000000, -0.0006041500000000, 0.0000014200000000 ] - [ -0.0003886900000000, 0.0001520300000000, -0.0000297300000000 ] - [ -0.0001841100000000, -0.0004716000000000, -0.0000651900000000 ] - [ 0.0024494000000000, 0.0039591400000000, 0.0010722000000000 ] - [ -0.0008496800000000, 0.0001875900000000, -0.0000049900000000 ] - [ 0.0000282600000000, -0.0000945200000000, 0.0000276600000000 ] - [ -0.0010028200000000, -0.0028804600000000, -0.0004301400000000 ] - [ -0.0002303500000000, 0.0004755800000000, 0.0000211800000000 ] - [ -0.0022768600000000, -0.0059599500000000, -0.0010155000000000 ] - [ -0.0003062600000000, -0.0002693300000000, -0.0003558600000000 ] - [ 0.0008248000000000, 0.0010453500000000, -0.0001966000000000 ] - [ -0.0037353800000000, 0.0003197200000000, 0.0001933600000000 ] - [ -0.0002701700000000, -0.0001371500000000, -0.0003085000000000 ] - [ -0.0004037700000000, 0.0000026900000000, -0.0001888000000000 ] - [ 0.0013416300000000, -0.0006877700000000, -0.0001487100000000 ] - [ -0.0040782400000000, 0.0004319300000000, -0.0009649500000000 ] - [ -0.0005049900000000, -0.0001657900000000, 0.0000703800000000 ] - [ -0.0001786500000000, -0.0000336300000000, 0.0000721400000000 ] - [ 0.0024109000000000, -0.0014820700000000, 0.0005491300000000 ] - [ 0.0044323800000000, -0.0119118400000000, -0.0057948100000000 ] - [ 0.0002159600000000, -0.0014181500000000, -0.0001702500000000 ] - [ -0.0004696700000000, 0.0003448900000000, -0.0001694200000000 ] - [ -0.0000513200000000, 0.0000352200000000, -0.0001546700000000 ] - [ 0.0003165000000000, -0.0059956700000000, -0.0024231300000000 ] - [ 0.0011506600000000, 0.0002299100000000, 0.0007690200000000 ] - [ -0.0004632300000000, -0.0002108300000000, 0.0003747300000000 ] - [ -0.0002539900000000, 0.0003424400000000, 0.0004592500000000 ] - [ 0.0011647800000000, -0.0045723900000000, 0.0019489400000000 ] - [ 0.0005548900000000, -0.0001207600000000, -0.0006340300000000 ] - [ -0.0002906400000000, -0.0005280800000000, -0.0001098600000000 ] - [ -0.0005222200000000, 0.0006331600000000, -0.0001446300000000 ] - [ 0.0010331200000000, -0.0051585200000000, 0.0008273700000000 ] - [ -0.0002918200000000, -0.0000862500000000, 0.0000825600000000 ] - [ 0.0000353800000000, 0.0002299200000000, 0.0000885900000000 ] - [ -0.0002426900000000, -0.0005761500000000, -0.0002275600000000 ] - [ -0.0026263700000000, 0.0028131100000000, -0.0017579600000000 ] - [ -0.0006376500000000, 0.0008783200000000, 0.0001587300000000 ] - [ 0.0000033500000000, 0.0000015200000000, 0.0001857200000000 ] - [ 0.0002857600000000, -0.0000816600000000, 0.0001792300000000 ] - [ -0.0029250400000000, -0.0027834700000000, 0.0009803000000000 ] - [ 0.0005372000000000, 0.0000416200000000, 0.0002439100000000 ] - [ -0.0000429800000000, 0.0001140400000000, 0.0002006800000000 ] - [ 0.0007112000000000, 0.0009711100000000, 0.0001090600000000 ] - [ 0.0004323300000000, -0.0001060700000000, 0.0000885100000000 ] - [ 0.0004103000000000, 0.0002934700000000, 0.0000228900000000 ] - [ 0.0009384900000000, -0.0001896200000000, 0.0000130500000000 ] - [ -0.0005347600000000, -0.0007562800000000, -0.0008247700000000 ] - [ -0.0284369600000000, -0.0696461200000000, -0.0583966100000000 ] - [ 0.0029958000000000, -0.0002451300000000, 0.0005222600000000 ] - [ 0.0003921400000000, -0.0000237800000000, -0.0001060200000000 ] - [ 0.0006543100000000, 0.0006399500000000, -0.0000401800000000 ] - [ 0.0036524000000000, 0.0023074700000000, 0.0008279500000000 ] - [ 0.0004255800000000, 0.0002155400000000, -0.0000269900000000 ] - [ 0.0004696600000000, -0.0001762200000000, -0.0000674000000000 ] - [ -0.0023889300000000, -0.0005022400000000, -0.0011791800000000 ] - [ 0.0001807500000000, -0.0002506000000000, -0.0000200600000000 ] - [ 0.0004493100000000, -0.0002638100000000, -0.0000589300000000 ] - [ -0.0005501400000000, 0.0001386500000000, -0.0003216600000000 ] - [ -0.0000449800000000, 0.0102670500000000, 0.0001554600000000 ] - [ -0.0059589100000000, -0.0152928800000000, -0.0086128300000000 ] - [ 0.0010428500000000, 0.0009997900000000, -0.0001693700000000 ] - [ 0.0007835900000000, -0.0000940300000000, -0.0000231500000000 ] - [ -0.0009991800000000, 0.0011014400000000, 0.0000757100000000 ] - [ 0.0011998000000000, -0.0027987400000000, 0.0001242600000000 ] - [ 0.0013484000000000, -0.0000577400000000, 0.0001529000000000 ] - [ -0.0005622600000000, -0.0005272400000000, 0.0001961100000000 ] - [ -0.0036393700000000, 0.0120329300000000, -0.0006466900000000 ] - [ 0.0006344300000000, -0.0001214300000000, -0.0001992800000000 ] - [ 0.0009112600000000, 0.0001903100000000, -0.0001241300000000 ] - [ -0.0034137400000000, -0.0131485900000000, -0.0025117100000000 ] - [ 0.0041084500000000, 0.0079166400000000, -0.0002981500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007192100000000, 0.0005470100000000, -0.0000299400000000 ] - [ 0.0000506400000000, -0.0001433000000000, 0.0000312200000000 ] - [ -0.0004014000000000, -0.0019755800000000, -0.0005739600000000 ] - [ 0.0020463400000000, 0.0189940700000000, 0.0099098600000000 ] - [ 0.0007378000000000, 0.0003290200000000, -0.0000911200000000 ] - [ -0.0001263900000000, -0.0002633100000000, 0.0000137000000000 ] - [ 0.0149461300000000, 0.0075040400000000, 0.0013967100000000 ] - [ -0.0012415200000000, -0.0013598800000000, 0.0014730000000000 ] - [ 0.0039667300000000, -0.0033719500000000, 0.0510830000000000 ] - [ 0.0008562000000000, 0.0004113200000000, -0.0005975800000000 ] - [ 0.0004080800000000, 0.0000089700000000, 0.0001009400000000 ] - [ 0.0000947900000000, -0.0000176600000000, 0.0000319500000000 ] - [ -0.0886635200000000, -0.1013764600000000, -0.2312691600000000 ] - [ 0.0005960100000000, 0.0000641000000000, 0.0006051400000000 ] - [ 0.0003138500000000, 0.0000293800000000, 0.0000718100000000 ] - [ 0.0002006000000000, 0.0000058400000000, 0.0000601300000000 ] - [ 0.0050270600000000, -0.0032732400000000, 0.0023874300000000 ] - [ 0.0001330600000000, -0.0000882400000000, 0.0000013500000000 ] - [ 0.0005834900000000, 0.0001817400000000, -0.0000204300000000 ] - [ -0.0009943200000000, 0.0009255200000000, 0.0000510600000000 ] - [ -0.0001837100000000, -0.0005619800000000, 0.0003481100000000 ] - [ -0.0021868400000000, 0.0006826500000000, 0.0032540600000000 ] - [ 0.0003631300000000, -0.0003083200000000, -0.0002631600000000 ] - [ 0.0001416700000000, -0.0005182100000000, -0.0006783700000000 ] - [ -0.0000096000000000, 0.0000029000000000, -0.0018151700000000 ] - [ 0.0004928500000000, -0.0000813800000000, -0.0002162100000000 ] - [ 0.0001171900000000, -0.0000879100000000, -0.0002927600000000 ] - [ -0.0007563900000000, -0.0004833000000000, 0.0003287600000000 ] - [ 0.0029513100000000, 0.0006719200000000, 0.0023720300000000 ] - [ 0.0001775400000000, -0.0001942200000000, 0.0001346900000000 ] - [ 0.0004632300000000, -0.0001914600000000, 0.0001075500000000 ] - [ -0.0011837700000000, -0.0002764900000000, -0.0013510800000000 ] - [ -0.0028838200000000, 0.0057650800000000, 0.0012404700000000 ] - [ 0.0006712000000000, 0.0014189500000000, -0.0001457900000000 ] - [ 0.0002401100000000, 0.0000812400000000, -0.0001409100000000 ] - [ 0.0003544600000000, -0.0004024600000000, -0.0001746700000000 ] - [ -0.0008478300000000, 0.0030545300000000, 0.0025506000000000 ] - [ 0.0000288200000000, -0.0002530600000000, -0.0004483100000000 ] - [ 0.0001675400000000, -0.0001202300000000, 0.0003656300000000 ] - [ 0.0005475200000000, 0.0001310200000000, 0.0003013700000000 ] - [ -0.0009753500000000, 0.0025718400000000, -0.0017304900000000 ] - [ -0.0005971100000000, 0.0006226200000000, 0.0024398600000000 ] - [ 0.0003834400000000, -0.0004048400000000, -0.0000558500000000 ] - [ 0.0003571400000000, 0.0004140500000000, -0.0000598100000000 ] - [ -0.0009215100000000, 0.0034397000000000, -0.0009225500000000 ] - [ -0.0003255800000000, 0.0005491500000000, 0.0001154400000000 ] - [ 0.0007064100000000, 0.0002347400000000, 0.0000183500000000 ] - [ 0.0002545800000000, -0.0001207800000000, -0.0003811500000000 ] - [ -0.0006838000000000, 0.0022671700000000, -0.0001683700000000 ] - [ 0.0004517900000000, -0.0003712900000000, 0.0002120100000000 ] - [ -0.0004116800000000, 0.0000552900000000, 0.0001853300000000 ] - [ 0.0000310600000000, 0.0000107900000000, 0.0001832900000000 ] - [ 0.0036698300000000, -0.0003219400000000, 0.0002763000000000 ] - [ -0.0000138400000000, 0.0001640900000000, 0.0001765700000000 ] - [ -0.0003772500000000, 0.0000794800000000, 0.0002087200000000 ] - [ 0.0000148900000000, -0.0005765100000000, 0.0002732500000000 ] - [ -0.0004862900000000, -0.0004019200000000, -0.0000566500000000 ] - [ 0.0000058600000000, 0.0002540700000000, 0.0000341800000000 ] - [ -0.0013826800000000, 0.0006144900000000, -0.0001040700000000 ] - [ 0.0009754800000000, 0.0004442300000000, 0.0002567700000000 ] - [ 0.0550869100000000, 0.0637231300000000, 0.1445737100000000 ] - [ -0.0004540600000000, 0.0008164300000000, 0.0005555200000000 ] - [ -0.0004933700000000, -0.0000516600000000, -0.0000791500000000 ] - [ -0.0003102100000000, -0.0002132800000000, -0.0001221800000000 ] - [ 0.0017800900000000, -0.0013317900000000, -0.0011266200000000 ] - [ -0.0003303100000000, -0.0000548500000000, -0.0000673500000000 ] - [ -0.0005246700000000, 0.0001702200000000, -0.0000474700000000 ] - [ -0.0003724600000000, 0.0033784700000000, 0.0008070800000000 ] - [ -0.0003517000000000, 0.0004496900000000, -0.0000197400000000 ] - [ -0.0003934500000000, -0.0002024300000000, -0.0000276300000000 ] - [ -0.0003994600000000, -0.0008108700000000, -0.0001683400000000 ] - [ 0.0015133000000000, -0.0035114700000000, -0.0008194400000000 ] - [ 0.0129417400000000, 0.0109884900000000, 0.0093816000000000 ] - [ -0.0011711100000000, -0.0004943200000000, -0.0000599600000000 ] - [ -0.0005758600000000, 0.0000087200000000, -0.0000845700000000 ] - [ 0.0002463600000000, 0.0000865500000000, -0.0000124200000000 ] - [ -0.0023780500000000, 0.0004240000000000, 0.0007609200000000 ] - [ -0.0001602300000000, -0.0000914800000000, 0.0001414800000000 ] - [ -0.0005788600000000, -0.0001415500000000, 0.0001922500000000 ] - [ 0.0048598700000000, -0.0051218400000000, 0.0016156400000000 ] - [ -0.0010539400000000, -0.0000959400000000, -0.0001403800000000 ] - [ -0.0003122100000000, 0.0000293600000000, -0.0001922600000000 ] - [ -0.0023001200000000, 0.0028204000000000, 0.0046592900000000 ] - [ -0.0028610100000000, -0.0057590900000000, -0.0007330500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001707000000000, -0.0000604800000000, 0.0001043300000000 ] - [ -0.0005905100000000, -0.0003391700000000, 0.0000441900000000 ] - [ 0.0009422500000000, 0.0014777700000000, 0.0006506000000000 ] - [ -0.0026273300000000, -0.0186673200000000, -0.0098045600000000 ] - [ 0.0000906500000000, 0.0002979400000000, 0.0000085700000000 ] - [ -0.0006974700000000, -0.0003635900000000, -0.0000949800000000 ] - [ -0.0140520600000000, -0.0081219700000000, -0.0013475500000000 ] - [ 0.0004140400000000, 0.0019821100000000, -0.0015513600000000 ] - [ -0.0039916600000000, 0.0033265200000000, -0.0512735700000000 ] - [ -0.0010293200000000, -0.0002926400000000, 0.0007960500000000 ] - [ -0.0002268800000000, 0.0001041600000000, 0.0000981300000000 ] - [ -0.0002689100000000, -0.0000958700000000, 0.0001669300000000 ] - [ 0.0930908200000000, 0.1056955800000000, 0.2391546200000000 ] - [ -0.0005602700000000, 0.0001065900000000, -0.0005563200000000 ] - [ -0.0003417800000000, 0.0001369000000000, -0.0000250200000000 ] - [ -0.0001659300000000, -0.0001716500000000, -0.0000124400000000 ] - [ -0.0043853000000000, 0.0031418700000000, -0.0023961200000000 ] - [ -0.0007306200000000, 0.0001869600000000, 0.0000023000000000 ] - [ 0.0000203700000000, -0.0000843300000000, 0.0000243300000000 ] - [ 0.0003924200000000, -0.0010174600000000, -0.0000434800000000 ] - [ -0.0005954900000000, 0.0001004400000000, -0.0002431100000000 ] - [ 0.0022661900000000, -0.0000936900000000, -0.0038353300000000 ] - [ -0.0002623900000000, -0.0002828900000000, -0.0003484500000000 ] - [ -0.0002378100000000, 0.0011021600000000, 0.0000632300000000 ] - [ -0.0002688700000000, 0.0001376600000000, 0.0012988000000000 ] - [ -0.0002242700000000, -0.0000802800000000, -0.0002841900000000 ] - [ -0.0003792200000000, -0.0000723300000000, -0.0002074300000000 ] - [ 0.0010199100000000, 0.0006430300000000, -0.0008288300000000 ] - [ -0.0025886500000000, -0.0003411800000000, -0.0021477000000000 ] - [ -0.0004949900000000, -0.0001374300000000, 0.0000581500000000 ] - [ -0.0001380600000000, -0.0001391200000000, 0.0000833200000000 ] - [ 0.0008501800000000, 0.0006158200000000, 0.0015377500000000 ] - [ 0.0026541200000000, -0.0061440200000000, -0.0016001900000000 ] - [ -0.0004672400000000, -0.0010273000000000, -0.0001666000000000 ] - [ -0.0004375200000000, 0.0003055000000000, -0.0001695100000000 ] - [ -0.0001495400000000, 0.0000128900000000, -0.0001362200000000 ] - [ 0.0005607700000000, -0.0027338800000000, -0.0018045000000000 ] - [ 0.0002432500000000, -0.0000575600000000, 0.0011769700000000 ] - [ -0.0004387500000000, -0.0001967200000000, 0.0003765600000000 ] - [ -0.0002686900000000, 0.0001861800000000, 0.0004410100000000 ] - [ 0.0010805800000000, -0.0016462700000000, 0.0015609700000000 ] - [ 0.0004866700000000, -0.0015553000000000, -0.0026123900000000 ] - [ -0.0002600800000000, -0.0005094200000000, -0.0001074400000000 ] - [ -0.0004730300000000, 0.0004998300000000, -0.0001032100000000 ] - [ 0.0016774100000000, -0.0038569300000000, 0.0010073600000000 ] - [ -0.0004510400000000, -0.0000907300000000, -0.0000141600000000 ] - [ 0.0000795400000000, 0.0002247300000000, 0.0000836900000000 ] - [ -0.0003480500000000, -0.0004692500000000, -0.0002309300000000 ] - [ 0.0002705000000000, -0.0023367600000000, 0.0005162400000000 ] - [ -0.0000374900000000, 0.0004385900000000, 0.0001566700000000 ] - [ -0.0000056000000000, 0.0000149200000000, 0.0001845400000000 ] - [ 0.0003827900000000, -0.0000793200000000, 0.0001864700000000 ] - [ -0.0040668300000000, 0.0001270400000000, 0.0000959700000000 ] - [ 0.0004208600000000, 0.0000301700000000, 0.0002340100000000 ] - [ -0.0000373200000000, 0.0001124000000000, 0.0001999700000000 ] - [ 0.0003914400000000, 0.0003770000000000, 0.0001378700000000 ] - [ 0.0000926500000000, -0.0001363000000000, 0.0001137900000000 ] - [ 0.0003864100000000, 0.0002840900000000, 0.0000234300000000 ] - [ 0.0009795800000000, -0.0000752200000000, 0.0001623100000000 ] - [ -0.0005738000000000, -0.0010785900000000, -0.0001267400000000 ] - [ -0.0598429600000000, -0.0685701100000000, -0.1530072400000000 ] - [ 0.0006089800000000, -0.0008913400000000, -0.0007318600000000 ] - [ 0.0003250500000000, -0.0000224300000000, -0.0000987500000000 ] - [ 0.0004704800000000, 0.0002855300000000, -0.0000553800000000 ] - [ -0.0019036100000000, 0.0012468900000000, 0.0009808900000000 ] - [ 0.0004670400000000, 0.0001339100000000, -0.0000506500000000 ] - [ 0.0003790400000000, -0.0000911200000000, -0.0000695800000000 ] - [ 0.0005210000000000, -0.0034430400000000, -0.0009089100000000 ] - [ 0.0003277600000000, 0.0000166400000000, -0.0000680600000000 ] - [ 0.0004095300000000, -0.0002610600000000, -0.0000595200000000 ] - [ 0.0003767200000000, 0.0003503100000000, 0.0000867700000000 ] - [ -0.0014576100000000, 0.0039733400000000, 0.0007253600000000 ] - [ -0.0123341900000000, -0.0103810700000000, -0.0089725500000000 ] - [ 0.0010251800000000, 0.0004534600000000, -0.0000536900000000 ] - [ 0.0007095300000000, -0.0000482700000000, -0.0000292500000000 ] - [ -0.0003851500000000, -0.0000493600000000, -0.0001024000000000 ] - [ 0.0012590300000000, -0.0002309300000000, -0.0004529000000000 ] - [ 0.0012579200000000, -0.0000941400000000, 0.0001563800000000 ] - [ -0.0005306000000000, -0.0000446800000000, 0.0001040300000000 ] - [ -0.0037431600000000, 0.0052879700000000, -0.0013153700000000 ] - [ 0.0004861800000000, -0.0000125600000000, -0.0001941500000000 ] - [ 0.0008655800000000, 0.0000781500000000, -0.0001422500000000 ] - [ 0.0015280300000000, -0.0026106800000000, -0.0048107300000000 ] - [ 0.0034303000000000, 0.0056107400000000, 0.0003929500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014718200000000, 0.0043884600000000, -0.0000402700000000 ] - [ 0.0015655900000000, 0.0002529200000000, 0.0000021600000000 ] - [ 0.0024006900000000, -0.0004878600000000, 0.0000417400000000 ] - [ 0.0010343100000000, 0.0042397200000000, -0.0019487700000000 ] - [ 0.0020789600000000, 0.0004540300000000, -0.0003451300000000 ] - [ 0.0008619000000000, -0.0000681200000000, 0.0003056100000000 ] - [ 0.0031987500000000, 0.0012090800000000, -0.0001274600000000 ] - [ 0.0018346200000000, 0.0012266800000000, 0.0000353800000000 ] - [ 0.0052575000000000, -0.0020595800000000, -0.0008546900000000 ] - [ 0.0016087300000000, 0.0006447400000000, 0.0002696300000000 ] - [ 0.0020322300000000, -0.0001726700000000, 0.0001264700000000 ] - [ 0.0010183000000000, -0.0011692800000000, -0.0006874500000000 ] - [ 0.0060560700000000, -0.0022329600000000, 0.0046954700000000 ] - [ 0.0019684400000000, 0.0006324600000000, -0.0004096800000000 ] - [ 0.0019508000000000, -0.0001940700000000, 0.0003031700000000 ] - [ 0.0001420300000000, -0.0007838500000000, 0.0007182100000000 ] - [ -0.1123460500000000, 0.0912560000000000, 0.0197337300000000 ] - [ 0.0016671600000000, -0.0003653200000000, 0.0000988100000000 ] - [ 0.0022806500000000, 0.0004984500000000, -0.0000918400000000 ] - [ -0.0045943800000000, -0.0012114800000000, 0.0001381800000000 ] - [ 0.0038712000000000, -0.0008839000000000, 0.0050108700000000 ] - [ -0.0049545600000000, -0.0008347900000000, -0.0020233500000000 ] - [ 0.0019806800000000, -0.0001570800000000, -0.0000757300000000 ] - [ 0.0166632000000000, -0.0194574300000000, -0.0109885000000000 ] - [ -0.0088580100000000, 0.0026412500000000, -0.0010994800000000 ] - [ 0.0019662600000000, -0.0003944300000000, -0.0002731800000000 ] - [ 0.0017646100000000, 0.0002381800000000, -0.0002263000000000 ] - [ -0.0112014400000000, -0.0037344200000000, 0.0004824400000000 ] - [ -0.0078879100000000, 0.0040918900000000, 0.0028405800000000 ] - [ 0.0017714200000000, -0.0005656000000000, 0.0004445800000000 ] - [ 0.0021728300000000, 0.0002428300000000, -0.0002711800000000 ] - [ -0.0128998200000000, 0.0019091500000000, 0.0023940900000000 ] - [ 0.0011974900000000, -0.0021729900000000, 0.0001351900000000 ] - [ 0.0015811800000000, 0.0004584500000000, -0.0002176500000000 ] - [ 0.0020969100000000, -0.0003418800000000, -0.0000455500000000 ] - [ 0.0018591000000000, -0.0022482900000000, -0.0005502300000000 ] - [ -0.0008410400000000, 0.0003641700000000, -0.0002643300000000 ] - [ 0.0021584600000000, -0.0008435300000000, 0.0005901400000000 ] - [ 0.0017206000000000, -0.0000176800000000, 0.0003556900000000 ] - [ 0.0034129200000000, 0.0007166400000000, -0.0007094200000000 ] - [ -0.0005310900000000, 0.0007143100000000, 0.0005242600000000 ] - [ 0.0022498500000000, -0.0012692400000000, -0.0004348900000000 ] - [ 0.0020055100000000, -0.0002597900000000, 0.0000378400000000 ] - [ 0.0028367100000000, 0.0008800700000000, 0.0008371200000000 ] - [ -0.0017540200000000, -0.0054387000000000, 0.0015310800000000 ] - [ 0.0014981700000000, -0.0000823900000000, 0.0001939000000000 ] - [ 0.0022695200000000, 0.0003399200000000, -0.0001228400000000 ] - [ 0.0017821600000000, -0.0004856000000000, -0.0005178700000000 ] - [ -0.0004393000000000, 0.0010231700000000, 0.0002153100000000 ] - [ -0.0006143300000000, 0.0001474300000000, 0.0001796100000000 ] - [ -0.0015693800000000, 0.0001200900000000, 0.0001990200000000 ] - [ -0.0021498400000000, 0.0003051600000000, 0.0000335800000000 ] - [ 0.0069576300000000, -0.0006250300000000, 0.0002459100000000 ] - [ -0.0009707800000000, 0.0000998200000000, 0.0001647800000000 ] - [ -0.0013699400000000, 0.0000751100000000, 0.0002464600000000 ] - [ 0.0026463300000000, 0.0003494500000000, 0.0003898100000000 ] - [ 0.0006699000000000, -0.0008131300000000, 0.0000910200000000 ] - [ -0.0009110100000000, 0.0002324000000000, 0.0000569600000000 ] - [ -0.0014921300000000, 0.0002500900000000, -0.0000114200000000 ] - [ -0.0029478100000000, -0.0044965700000000, -0.0008046500000000 ] - [ -0.0039867500000000, -0.0035083900000000, -0.0000941300000000 ] - [ -0.0025554100000000, -0.0005704400000000, -0.0001892600000000 ] - [ -0.0024147200000000, -0.0001749000000000, -0.0000909500000000 ] - [ -0.0011435900000000, -0.0000675100000000, -0.0011607000000000 ] - [ 0.0068517900000000, -0.0003597400000000, -0.0006743800000000 ] - [ -0.0023592400000000, 0.0001028300000000, -0.0001201900000000 ] - [ -0.0025906400000000, -0.0000500300000000, -0.0000024300000000 ] - [ 0.0748590000000000, -0.0644322200000000, -0.0178164100000000 ] - [ -0.0027728600000000, 0.0003955900000000, 0.0009919500000000 ] - [ -0.0025382300000000, 0.0000062300000000, 0.0000638100000000 ] - [ -0.0023177400000000, 0.0004385100000000, -0.0000986200000000 ] - [ 0.0005805700000000, 0.0016837600000000, 0.0001731400000000 ] - [ 0.0154354400000000, 0.0050681700000000, -0.0009338300000000 ] - [ -0.0039085800000000, -0.0000628700000000, 0.0000708500000000 ] - [ -0.0041015800000000, -0.0000422000000000, -0.0001684900000000 ] - [ 0.0061954700000000, 0.0066089400000000, 0.0024875400000000 ] - [ 0.0165738500000000, -0.0085051200000000, -0.0021915800000000 ] - [ -0.0035100100000000, -0.0000209100000000, 0.0000888100000000 ] - [ -0.0047764000000000, -0.0000225900000000, 0.0001943300000000 ] - [ 0.0081295700000000, -0.0009081100000000, -0.0006392000000000 ] - [ -0.0049588300000000, -0.0012770200000000, -0.0000602400000000 ] - [ -0.0030080600000000, 0.0006398700000000, -0.0000749500000000 ] - [ -0.0064755600000000, 0.0011326000000000, -0.0001623800000000 ] - [ -0.0024358900000000, -0.0022088800000000, -0.0001196500000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009282100000000, -0.0038621100000000, 0.0001073700000000 ] - [ -0.0020988600000000, -0.0007156700000000, 0.0000679600000000 ] - [ -0.0018706300000000, 0.0000264600000000, 0.0000269200000000 ] - [ -0.0015482700000000, -0.0038091400000000, 0.0020363800000000 ] - [ -0.0012346000000000, 0.0001710500000000, 0.0002533700000000 ] - [ -0.0017120900000000, -0.0005435400000000, -0.0003925400000000 ] - [ -0.0023482800000000, -0.0018443400000000, 0.0000358200000000 ] - [ -0.0026795800000000, -0.0006121900000000, -0.0001231900000000 ] - [ -0.0051233500000000, 0.0019916100000000, 0.0010459500000000 ] - [ -0.0017875600000000, -0.0005500800000000, -0.0000877500000000 ] - [ -0.0018481800000000, 0.0002731300000000, 0.0000607900000000 ] - [ -0.0012083300000000, 0.0010761900000000, 0.0008650100000000 ] - [ -0.0061407800000000, 0.0020840100000000, -0.0047178900000000 ] - [ -0.0019346300000000, -0.0004724000000000, 0.0004545200000000 ] - [ -0.0019805900000000, 0.0003554700000000, -0.0002596500000000 ] - [ -0.0001252200000000, 0.0006297100000000, -0.0006676200000000 ] - [ 0.1121131800000000, -0.0904971700000000, -0.0190581400000000 ] - [ -0.0022651100000000, 0.0004657600000000, -0.0000930500000000 ] - [ -0.0016752500000000, -0.0003896000000000, 0.0000951400000000 ] - [ 0.0039838600000000, 0.0011239100000000, -0.0001372100000000 ] - [ -0.0045965000000000, 0.0004057300000000, -0.0048373600000000 ] - [ 0.0050724100000000, 0.0014424500000000, 0.0014310000000000 ] - [ -0.0018562300000000, -0.0004290800000000, -0.0005257000000000 ] - [ -0.0164900800000000, 0.0197076700000000, 0.0101976400000000 ] - [ 0.0085721500000000, -0.0025254800000000, 0.0006222900000000 ] - [ -0.0017004200000000, 0.0002325500000000, -0.0002279500000000 ] - [ -0.0020304500000000, -0.0004007100000000, -0.0002771000000000 ] - [ 0.0113722900000000, 0.0040586200000000, -0.0010357400000000 ] - [ 0.0081831200000000, -0.0037745600000000, -0.0026360800000000 ] - [ -0.0020948800000000, 0.0002385900000000, -0.0002546100000000 ] - [ -0.0018485600000000, -0.0005690500000000, 0.0004616500000000 ] - [ 0.0125365000000000, -0.0013965700000000, -0.0020767400000000 ] - [ -0.0014023600000000, 0.0017663700000000, -0.0004499100000000 ] - [ -0.0013721600000000, -0.0000372400000000, -0.0000950300000000 ] - [ -0.0022974200000000, 0.0007550300000000, -0.0002669100000000 ] - [ -0.0016625700000000, 0.0018151800000000, 0.0002340700000000 ] - [ 0.0005854000000000, -0.0000220100000000, 0.0010504100000000 ] - [ -0.0018825700000000, 0.0005046300000000, 0.0001920100000000 ] - [ -0.0019966600000000, -0.0003242800000000, 0.0004254500000000 ] - [ -0.0031255700000000, -0.0003887600000000, 0.0014691800000000 ] - [ 0.0006778900000000, 0.0002013200000000, -0.0006926700000000 ] - [ -0.0023789600000000, 0.0003529700000000, 0.0002667000000000 ] - [ -0.0018769800000000, -0.0006554800000000, -0.0002029000000000 ] - [ -0.0029560700000000, 0.0000207100000000, -0.0009787300000000 ] - [ 0.0025159700000000, 0.0050355100000000, -0.0014389400000000 ] - [ -0.0022304800000000, 0.0005419200000000, -0.0000862400000000 ] - [ -0.0015240200000000, 0.0001180000000000, 0.0002277400000000 ] - [ -0.0019026400000000, -0.0000991100000000, -0.0000843700000000 ] - [ 0.0000118300000000, -0.0010983600000000, 0.0001540300000000 ] - [ 0.0010356600000000, -0.0000842900000000, 0.0001896700000000 ] - [ 0.0011391000000000, -0.0000515100000000, 0.0001721200000000 ] - [ 0.0025761700000000, -0.0003666600000000, 0.0003365600000000 ] - [ -0.0073829000000000, 0.0004517800000000, 0.0001469600000000 ] - [ 0.0013826700000000, 0.0000982300000000, 0.0002455900000000 ] - [ 0.0009570100000000, 0.0001221900000000, 0.0001638100000000 ] - [ -0.0022210300000000, -0.0005623200000000, 0.0000169500000000 ] - [ -0.0010452400000000, 0.0002687300000000, -0.0000319800000000 ] - [ 0.0012990900000000, 0.0003074900000000, 0.0000005300000000 ] - [ 0.0011047700000000, 0.0002888000000000, 0.0000691400000000 ] - [ 0.0032527900000000, 0.0039420600000000, 0.0008568700000000 ] - [ 0.0037918300000000, 0.0036343200000000, -0.0000841600000000 ] - [ 0.0027450400000000, 0.0004936400000000, 0.0000141300000000 ] - [ 0.0022234000000000, 0.0000929400000000, -0.0000861400000000 ] - [ 0.0013371600000000, 0.0001291200000000, 0.0009739600000000 ] - [ -0.0070466600000000, 0.0002779000000000, 0.0005400400000000 ] - [ 0.0025201500000000, -0.0000298700000000, -0.0000035500000000 ] - [ 0.0024274100000000, 0.0001256700000000, -0.0001210800000000 ] - [ -0.0747048200000000, 0.0626489200000000, 0.0172702100000000 ] - [ 0.0028054400000000, 0.0000851900000000, -0.0010736500000000 ] - [ 0.0025222000000000, -0.0004630100000000, -0.0001547800000000 ] - [ 0.0023293000000000, -0.0009031600000000, 0.0000071300000000 ] - [ -0.0006074700000000, -0.0012403600000000, -0.0002628000000000 ] - [ -0.0155352500000000, -0.0046937800000000, 0.0008108300000000 ] - [ 0.0038108700000000, 0.0000280000000000, -0.0001848000000000 ] - [ 0.0041938800000000, 0.0000056100000000, 0.0000544800000000 ] - [ -0.0061675000000000, -0.0065556900000000, -0.0025698200000000 ] - [ -0.0166077500000000, 0.0091485600000000, 0.0023115800000000 ] - [ 0.0045654900000000, -0.0001612100000000, 0.0002016600000000 ] - [ 0.0037202700000000, -0.0001628500000000, 0.0000965700000000 ] - [ -0.0071778800000000, 0.0010352500000000, 0.0009221000000000 ] - [ 0.0043805400000000, 0.0011476100000000, -0.0002714500000000 ] - [ 0.0035767100000000, -0.0005179600000000, -0.0002550200000000 ] - [ 0.0059292000000000, -0.0010153200000000, -0.0001650900000000 ] - [ 0.0029808600000000, 0.0020984200000000, -0.0002139500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022679600000000, 0.0040139000000000, -0.0000076900000000 ] - [ -0.0007435400000000, -0.0000740300000000, 0.0000103100000000 ] - [ -0.0001989400000000, -0.0005450800000000, 0.0000913400000000 ] - [ 0.0038779300000000, -0.0032634200000000, -0.0011011400000000 ] - [ 0.0001828800000000, 0.0009346100000000, -0.0001359200000000 ] - [ -0.0010371600000000, 0.0008916300000000, 0.0001250400000000 ] - [ -0.0001408600000000, -0.0023774800000000, -0.0003031200000000 ] - [ -0.0002542600000000, -0.0005916800000000, 0.0001335900000000 ] - [ -0.0042223900000000, -0.0026678000000000, 0.0021447000000000 ] - [ -0.0001921700000000, -0.0001182800000000, -0.0000197000000000 ] - [ -0.0001227700000000, 0.0002284200000000, 0.0001725100000000 ] - [ -0.0022397600000000, 0.0028105800000000, -0.0006020900000000 ] - [ -0.0036813000000000, -0.0041152200000000, -0.0031873000000000 ] - [ -0.0001355500000000, -0.0000567800000000, 0.0001599800000000 ] - [ -0.0003009800000000, 0.0002241500000000, -0.0001120900000000 ] - [ -0.0022058800000000, 0.0027576700000000, 0.0009883100000000 ] - [ 0.0885784800000000, -0.2648260800000000, -0.0395087800000000 ] - [ -0.0007163500000000, 0.0000801600000000, -0.0000138900000000 ] - [ -0.0001474700000000, 0.0000162000000000, 0.0000199000000000 ] - [ 0.0008803100000000, 0.0112388400000000, 0.0001550400000000 ] - [ -0.0018594000000000, -0.0064023300000000, 0.0008977900000000 ] - [ -0.0006190600000000, 0.0066690800000000, 0.0019638900000000 ] - [ -0.0003759100000000, -0.0004115600000000, -0.0003401100000000 ] - [ -0.0167178200000000, 0.0002567300000000, 0.0059509700000000 ] - [ 0.0035074800000000, 0.0089041300000000, -0.0089532900000000 ] - [ -0.0002910600000000, 0.0000427700000000, -0.0002129800000000 ] - [ -0.0005761600000000, -0.0002049700000000, -0.0002851200000000 ] - [ -0.0073839800000000, 0.0297100600000000, -0.0117460900000000 ] - [ 0.0058314600000000, 0.0118955300000000, 0.0053206300000000 ] - [ -0.0006291200000000, -0.0000214900000000, -0.0000144800000000 ] - [ -0.0003157200000000, -0.0003137100000000, 0.0002045900000000 ] - [ -0.0019589400000000, 0.0201606800000000, 0.0201373600000000 ] - [ -0.0039806100000000, 0.0035192700000000, -0.0009153800000000 ] - [ -0.0000532100000000, 0.0007035400000000, -0.0001569200000000 ] - [ -0.0003849200000000, -0.0000886500000000, -0.0001744000000000 ] - [ -0.0013898100000000, -0.0021247200000000, 0.0000285500000000 ] - [ 0.0013795700000000, 0.0020452200000000, 0.0019432100000000 ] - [ -0.0006877700000000, 0.0000452700000000, 0.0001714200000000 ] - [ -0.0008062000000000, -0.0003742500000000, 0.0005128900000000 ] - [ 0.0011211700000000, -0.0022287100000000, -0.0017897500000000 ] - [ 0.0015807900000000, 0.0023761500000000, -0.0014227500000000 ] - [ -0.0009586500000000, -0.0002012300000000, 0.0001456800000000 ] - [ -0.0006770100000000, -0.0006750300000000, -0.0002325000000000 ] - [ 0.0014569700000000, -0.0013765800000000, 0.0019313300000000 ] - [ 0.0014971400000000, 0.0102126900000000, -0.0019542100000000 ] - [ -0.0008787600000000, 0.0004743800000000, 0.0000207900000000 ] - [ -0.0001036600000000, 0.0000548000000000, 0.0000847100000000 ] - [ -0.0005092400000000, -0.0001388200000000, -0.0002665000000000 ] - [ 0.0003236700000000, -0.0009324400000000, 0.0000741700000000 ] - [ 0.0005020100000000, -0.0003510100000000, 0.0001826400000000 ] - [ -0.0000376500000000, 0.0002726900000000, 0.0001721400000000 ] - [ 0.0019210900000000, 0.0006665000000000, 0.0003175900000000 ] - [ -0.0012909500000000, 0.0074800300000000, 0.0003771900000000 ] - [ 0.0004508000000000, 0.0001260500000000, 0.0002104100000000 ] - [ 0.0000581300000000, 0.0000785600000000, 0.0001973200000000 ] - [ 0.0000137400000000, -0.0049639300000000, -0.0002072500000000 ] - [ -0.0013242600000000, -0.0012929700000000, -0.0001256000000000 ] - [ 0.0004856400000000, 0.0001917900000000, 0.0000191000000000 ] - [ 0.0000947600000000, 0.0003892000000000, 0.0000440000000000 ] - [ -0.0046649200000000, 0.0011995100000000, -0.0002767400000000 ] - [ -0.0001481400000000, 0.0075500700000000, 0.0001856100000000 ] - [ 0.0002932900000000, 0.0003300700000000, -0.0001831100000000 ] - [ 0.0003219300000000, -0.0003365000000000, -0.0000749300000000 ] - [ 0.0004593500000000, -0.0044095700000000, -0.0005289700000000 ] - [ 0.0008412500000000, -0.0113343900000000, -0.0029156500000000 ] - [ 0.0006597000000000, -0.0000795200000000, -0.0000419500000000 ] - [ 0.0004869400000000, 0.0001614600000000, -0.0000851800000000 ] - [ -0.0571886700000000, 0.1700083700000000, 0.0308041700000000 ] - [ 0.0021827600000000, 0.0041631300000000, -0.0004177400000000 ] - [ 0.0006623000000000, 0.0001865700000000, -0.0000733900000000 ] - [ 0.0006957800000000, -0.0008697800000000, 0.0000108100000000 ] - [ 0.0004163300000000, -0.0053419700000000, -0.0004077600000000 ] - [ -0.0007152800000000, 0.0088125000000000, 0.0003889000000000 ] - [ 0.0006740400000000, -0.0002070900000000, -0.0000706300000000 ] - [ 0.0008552100000000, 0.0001024100000000, -0.0000303200000000 ] - [ 0.0107452300000000, -0.0036710300000000, 0.0005354800000000 ] - [ -0.0055279200000000, 0.0175508000000000, 0.0007559800000000 ] - [ 0.0016187900000000, -0.0001068600000000, 0.0001557000000000 ] - [ 0.0006763200000000, -0.0000410500000000, 0.0001302400000000 ] - [ -0.0121537900000000, -0.0129694200000000, 0.0013542800000000 ] - [ -0.0011011000000000, -0.0005440800000000, 0.0000117300000000 ] - [ 0.0025478900000000, -0.0005023800000000, -0.0002846400000000 ] - [ 0.0027274100000000, 0.0014363700000000, 0.0001409900000000 ] - [ -0.0012274000000000, 0.0001793300000000, -0.0002029300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017451600000000, -0.0035877200000000, 0.0000762800000000 ] - [ 0.0002062200000000, -0.0003898700000000, 0.0000593400000000 ] - [ 0.0007227800000000, 0.0000882800000000, -0.0000232800000000 ] - [ -0.0043830900000000, 0.0037479500000000, 0.0011590800000000 ] - [ 0.0006527300000000, -0.0003143700000000, 0.0000469000000000 ] - [ 0.0001922500000000, -0.0015117200000000, -0.0002159100000000 ] - [ 0.0009929900000000, 0.0017578700000000, 0.0002153300000000 ] - [ -0.0005861300000000, 0.0012130800000000, -0.0002231300000000 ] - [ 0.0043933100000000, 0.0025409400000000, -0.0019530400000000 ] - [ 0.0000043800000000, 0.0002145600000000, 0.0002008600000000 ] - [ 0.0002993000000000, -0.0001289900000000, 0.0000121000000000 ] - [ 0.0020567300000000, -0.0029013300000000, 0.0007939800000000 ] - [ 0.0036773100000000, 0.0038910300000000, 0.0032280900000000 ] - [ 0.0001629000000000, 0.0002184800000000, -0.0001155300000000 ] - [ 0.0002636900000000, -0.0000624500000000, 0.0001544600000000 ] - [ 0.0022487000000000, -0.0029120100000000, -0.0009546800000000 ] - [ -0.0932913800000000, 0.2744749600000000, 0.0428161300000000 ] - [ 0.0001125700000000, 0.0000234700000000, 0.0000195700000000 ] - [ 0.0007436300000000, 0.0000916300000000, -0.0000157700000000 ] - [ -0.0014571700000000, -0.0113223500000000, -0.0001283100000000 ] - [ 0.0010401300000000, 0.0059568300000000, -0.0008339500000000 ] - [ 0.0007346100000000, -0.0060706400000000, -0.0025443700000000 ] - [ 0.0004909900000000, -0.0001728000000000, -0.0002620400000000 ] - [ 0.0165883300000000, 0.0004538600000000, -0.0065498000000000 ] - [ -0.0037015700000000, -0.0087256600000000, 0.0083606900000000 ] - [ 0.0005489600000000, -0.0002024200000000, -0.0002875400000000 ] - [ 0.0003039800000000, 0.0000419000000000, -0.0002176800000000 ] - [ 0.0078097100000000, -0.0299793700000000, 0.0114412600000000 ] - [ -0.0053938100000000, -0.0114518200000000, -0.0050622300000000 ] - [ 0.0002985900000000, -0.0003031900000000, 0.0002044400000000 ] - [ 0.0006320000000000, -0.0000133200000000, -0.0000115000000000 ] - [ 0.0016961200000000, -0.0199447500000000, -0.0201850300000000 ] - [ 0.0036960100000000, -0.0039238900000000, 0.0005890800000000 ] - [ 0.0002518600000000, -0.0002801900000000, -0.0001547700000000 ] - [ 0.0001710200000000, 0.0005103900000000, -0.0001380100000000 ] - [ 0.0015844400000000, 0.0017202200000000, -0.0003400500000000 ] - [ -0.0016686300000000, -0.0016854700000000, -0.0011515500000000 ] - [ 0.0009575800000000, -0.0003906900000000, 0.0006143700000000 ] - [ 0.0005220600000000, 0.0000314000000000, 0.0002716300000000 ] - [ -0.0008578400000000, 0.0025599700000000, 0.0025582900000000 ] - [ -0.0014680000000000, -0.0014390800000000, 0.0012503600000000 ] - [ 0.0008259600000000, -0.0007206100000000, -0.0003136800000000 ] - [ 0.0007980400000000, -0.0002393700000000, 0.0000690000000000 ] - [ -0.0015999800000000, 0.0022813700000000, -0.0020855100000000 ] - [ -0.0007442200000000, -0.0106019300000000, 0.0020437700000000 ] - [ 0.0001362900000000, -0.0000159100000000, 0.0000862600000000 ] - [ 0.0008428300000000, 0.0004035400000000, 0.0000217500000000 ] - [ 0.0003831000000000, -0.0004439800000000, -0.0003347800000000 ] - [ -0.0007361400000000, 0.0008699900000000, 0.0002916800000000 ] - [ -0.0000741400000000, 0.0004151500000000, 0.0001843400000000 ] - [ -0.0003778600000000, -0.0002054100000000, 0.0001956400000000 ] - [ -0.0014875300000000, -0.0007318600000000, 0.0000497600000000 ] - [ 0.0008620200000000, -0.0076686100000000, -0.0000036500000000 ] - [ -0.0000345500000000, 0.0000715800000000, 0.0001997200000000 ] - [ -0.0004629300000000, 0.0001213900000000, 0.0002134000000000 ] - [ 0.0003790300000000, 0.0047609500000000, 0.0006235100000000 ] - [ 0.0009272500000000, 0.0007635600000000, 0.0001820500000000 ] - [ -0.0000951600000000, 0.0003451000000000, 0.0000393900000000 ] - [ -0.0004775500000000, 0.0001467900000000, 0.0000149500000000 ] - [ 0.0050219900000000, -0.0017773600000000, 0.0003314500000000 ] - [ -0.0000705300000000, -0.0074539100000000, -0.0003711100000000 ] - [ -0.0000991700000000, -0.0004121500000000, 0.0000048700000000 ] - [ -0.0005051700000000, 0.0002574900000000, -0.0001037100000000 ] - [ -0.0002717300000000, 0.0044930300000000, 0.0003605300000000 ] - [ -0.0010092300000000, 0.0112671900000000, 0.0027494600000000 ] - [ -0.0004891600000000, 0.0001544700000000, -0.0000803000000000 ] - [ -0.0006407200000000, -0.0000847300000000, -0.0000366700000000 ] - [ 0.0628249800000000, -0.1808861000000000, -0.0338988400000000 ] - [ -0.0021259100000000, -0.0036886900000000, 0.0003267100000000 ] - [ -0.0006701800000000, -0.0006480300000000, -0.0000157300000000 ] - [ -0.0006714800000000, 0.0004110700000000, -0.0000983500000000 ] - [ -0.0004096900000000, 0.0057664800000000, 0.0003189400000000 ] - [ 0.0001584000000000, -0.0076823900000000, -0.0005892100000000 ] - [ -0.0007533700000000, 0.0001734900000000, -0.0000438700000000 ] - [ -0.0007479000000000, -0.0001357800000000, -0.0000833400000000 ] - [ -0.0108992900000000, 0.0036321900000000, -0.0006830500000000 ] - [ 0.0047345000000000, -0.0171040900000000, -0.0005011400000000 ] - [ -0.0005477300000000, -0.0000763000000000, 0.0001336300000000 ] - [ -0.0017177300000000, -0.0001426000000000, 0.0001583500000000 ] - [ 0.0132300700000000, 0.0131176600000000, -0.0010796200000000 ] - [ 0.0005543900000000, 0.0004303200000000, -0.0003427600000000 ] - [ -0.0019782400000000, 0.0006199600000000, -0.0000460100000000 ] - [ -0.0032813400000000, -0.0012863900000000, -0.0004654000000000 ] - [ 0.0017967400000000, -0.0003193300000000, -0.0001265000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001594700000000, 0.0001076200000000, -0.0000375400000000 ] - [ -0.0003645700000000, -0.0002367800000000, 0.0000308800000000 ] - [ 0.0001765800000000, -0.0001934100000000, 0.0000479700000000 ] - [ -0.0021575200000000, -0.0011170700000000, 0.0022773900000000 ] - [ 0.0003092200000000, 0.0003770600000000, -0.0000386900000000 ] - [ -0.0005841500000000, -0.0002143100000000, -0.0000966800000000 ] - [ 0.0004372800000000, 0.0001077400000000, 0.0004648400000000 ] - [ -0.0005442400000000, 0.0002461300000000, -0.0001336800000000 ] - [ -0.0025057500000000, 0.0009762300000000, 0.0004568400000000 ] - [ -0.0001820400000000, 0.0000160500000000, 0.0000948600000000 ] - [ 0.0000171600000000, 0.0000700800000000, 0.0001158000000000 ] - [ -0.0004728700000000, 0.0003744000000000, 0.0003830200000000 ] - [ 0.0040476500000000, -0.0011462700000000, 0.0024118800000000 ] - [ -0.0001009500000000, 0.0000729400000000, 0.0000209500000000 ] - [ -0.0000982600000000, 0.0001060200000000, -0.0000016800000000 ] - [ 0.0000827200000000, 0.0003543400000000, 0.0000655400000000 ] - [ 0.0197667700000000, -0.0412193700000000, -0.0696988100000000 ] - [ -0.0003964600000000, 0.0000689200000000, -0.0000009700000000 ] - [ 0.0002071900000000, 0.0000374500000000, 0.0000058100000000 ] - [ -0.0004350600000000, 0.0000944200000000, 0.0021641200000000 ] - [ 0.0070337700000000, -0.0010610900000000, 0.0043042200000000 ] - [ 0.0000783400000000, 0.0009805500000000, 0.0003096100000000 ] - [ -0.0000309800000000, -0.0003065300000000, -0.0003115300000000 ] - [ -0.0093836200000000, 0.0061182800000000, -0.0037933000000000 ] - [ -0.0009753600000000, -0.0070987200000000, 0.0053705500000000 ] - [ 0.0000391200000000, -0.0000645800000000, -0.0002487900000000 ] - [ -0.0002242200000000, -0.0000999000000000, -0.0002552200000000 ] - [ 0.0037421800000000, -0.0147956200000000, -0.0004812400000000 ] - [ 0.0020611700000000, 0.0050554100000000, 0.0012365100000000 ] - [ -0.0002590300000000, -0.0001422600000000, 0.0000778200000000 ] - [ 0.0000633100000000, -0.0001837900000000, 0.0001149300000000 ] - [ -0.0012782800000000, 0.0214302000000000, 0.0118197400000000 ] - [ -0.0001459600000000, -0.0000202500000000, -0.0002529000000000 ] - [ 0.0000543300000000, 0.0001522600000000, -0.0001520600000000 ] - [ -0.0001893300000000, 0.0001835300000000, -0.0001423900000000 ] - [ 0.0008282600000000, -0.0010404100000000, -0.0002607600000000 ] - [ 0.0003960300000000, 0.0000135100000000, 0.0007158800000000 ] - [ 0.0000492200000000, -0.0001056700000000, 0.0003871300000000 ] - [ -0.0002420500000000, -0.0002177500000000, 0.0003899100000000 ] - [ 0.0009801000000000, 0.0002534700000000, 0.0009356800000000 ] - [ 0.0003033600000000, 0.0003965400000000, 0.0000748400000000 ] - [ -0.0002264100000000, -0.0004399900000000, -0.0001433600000000 ] - [ -0.0000648600000000, -0.0004955300000000, -0.0000791300000000 ] - [ -0.0001763700000000, 0.0009650400000000, -0.0011679500000000 ] - [ 0.0005512900000000, 0.0005247700000000, -0.0002570000000000 ] - [ -0.0004588600000000, 0.0002481600000000, 0.0000506500000000 ] - [ 0.0002760700000000, 0.0002113100000000, 0.0000585200000000 ] - [ -0.0001463700000000, -0.0002813900000000, -0.0002908100000000 ] - [ -0.0002444200000000, -0.0001704300000000, 0.0000480200000000 ] - [ 0.0002060000000000, 0.0000220800000000, 0.0001849400000000 ] - [ -0.0001717600000000, 0.0000323800000000, 0.0001963200000000 ] - [ 0.0008449400000000, 0.0001438900000000, 0.0001733000000000 ] - [ -0.0003940900000000, 0.0001191100000000, -0.0030167200000000 ] - [ 0.0002651600000000, 0.0000979200000000, 0.0002076500000000 ] - [ -0.0001482100000000, 0.0000982600000000, 0.0002034700000000 ] - [ 0.0000881600000000, -0.0002718400000000, 0.0011470400000000 ] - [ -0.0002705900000000, -0.0004092500000000, -0.0001557300000000 ] - [ 0.0002590900000000, 0.0002614200000000, 0.0000267200000000 ] - [ -0.0001248800000000, 0.0002723700000000, 0.0000294400000000 ] - [ -0.0002432500000000, -0.0001745400000000, 0.0020445600000000 ] - [ 0.0010829600000000, -0.0012851900000000, -0.0040167500000000 ] - [ 0.0002220300000000, -0.0000281000000000, -0.0000812700000000 ] - [ 0.0000282400000000, -0.0000731800000000, -0.0000854200000000 ] - [ 0.0002824800000000, -0.0003445900000000, 0.0002644900000000 ] - [ -0.0003064000000000, -0.0006590600000000, -0.0055030400000000 ] - [ 0.0002004500000000, 0.0000300800000000, -0.0000562400000000 ] - [ 0.0000399000000000, 0.0000448600000000, -0.0000655500000000 ] - [ -0.0188010200000000, 0.0354665400000000, 0.0444449600000000 ] - [ -0.0025042700000000, -0.0001709800000000, 0.0003574900000000 ] - [ 0.0001392000000000, -0.0001955300000000, -0.0000417700000000 ] - [ 0.0001255400000000, -0.0002972900000000, -0.0000734300000000 ] - [ -0.0001111800000000, -0.0000401800000000, -0.0000561600000000 ] - [ 0.0011061000000000, -0.0033713100000000, 0.0072821200000000 ] - [ 0.0001482300000000, -0.0000054100000000, -0.0000672700000000 ] - [ 0.0002359800000000, -0.0000097800000000, -0.0000510700000000 ] - [ 0.0006132100000000, 0.0006407800000000, -0.0049581500000000 ] - [ -0.0022417600000000, 0.0016350800000000, 0.0092184000000000 ] - [ 0.0007414000000000, -0.0000914300000000, 0.0001449400000000 ] - [ -0.0003237600000000, -0.0000943400000000, 0.0001506100000000 ] - [ -0.0016404700000000, -0.0007109800000000, -0.0045172400000000 ] - [ -0.0001559500000000, -0.0001949500000000, -0.0002598800000000 ] - [ 0.0006536000000000, 0.0001519600000000, -0.0002561000000000 ] - [ -0.0003009100000000, 0.0000813700000000, 0.0007596200000000 ] - [ 0.0006832200000000, 0.0004385500000000, -0.0001636900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003671600000000, 0.0003453500000000, 0.0001063200000000 ] - [ -0.0001717900000000, -0.0002287600000000, 0.0000389800000000 ] - [ 0.0003509900000000, -0.0002665400000000, 0.0000202700000000 ] - [ 0.0016043100000000, 0.0015646600000000, -0.0022038200000000 ] - [ 0.0005292200000000, 0.0002443700000000, -0.0000509800000000 ] - [ -0.0002647900000000, -0.0004033500000000, 0.0000067100000000 ] - [ 0.0004065300000000, -0.0007297200000000, -0.0005555600000000 ] - [ -0.0002994100000000, 0.0003722900000000, 0.0000437600000000 ] - [ 0.0026854600000000, -0.0010588100000000, -0.0002938300000000 ] - [ -0.0000020500000000, 0.0000782700000000, 0.0000876900000000 ] - [ 0.0001629300000000, 0.0000293200000000, 0.0000703700000000 ] - [ 0.0002859200000000, -0.0004672100000000, -0.0001940500000000 ] - [ -0.0041235000000000, 0.0009986600000000, -0.0023700700000000 ] - [ 0.0001310600000000, 0.0000873300000000, 0.0000226800000000 ] - [ 0.0000639400000000, 0.0000551100000000, 0.0000441900000000 ] - [ -0.0000509900000000, -0.0005140700000000, -0.0000284900000000 ] - [ -0.0190188100000000, 0.0410474500000000, 0.0685913200000000 ] - [ -0.0002052100000000, 0.0000339800000000, 0.0000060600000000 ] - [ 0.0003946900000000, 0.0000715900000000, -0.0000027200000000 ] - [ -0.0001607300000000, -0.0001884800000000, -0.0021709600000000 ] - [ -0.0076945900000000, 0.0005920400000000, -0.0041717900000000 ] - [ 0.0000264400000000, -0.0003874600000000, -0.0009170800000000 ] - [ 0.0001504300000000, -0.0002790700000000, -0.0002903800000000 ] - [ 0.0092524400000000, -0.0055185500000000, 0.0032868400000000 ] - [ 0.0007359000000000, 0.0073472300000000, -0.0058791500000000 ] - [ 0.0002232700000000, -0.0000981600000000, -0.0002530500000000 ] - [ -0.0000448800000000, -0.0000644000000000, -0.0002485600000000 ] - [ -0.0034801800000000, 0.0149488900000000, -0.0000643500000000 ] - [ -0.0017203300000000, -0.0047107100000000, -0.0010595300000000 ] - [ -0.0000666900000000, -0.0001850900000000, 0.0001141300000000 ] - [ 0.0002561100000000, -0.0001438100000000, 0.0000786200000000 ] - [ 0.0009547100000000, -0.0213632800000000, -0.0117001500000000 ] - [ -0.0000634700000000, -0.0004004700000000, -0.0000592400000000 ] - [ 0.0001502400000000, 0.0002664200000000, -0.0001600500000000 ] - [ -0.0000182200000000, 0.0002336600000000, -0.0001700900000000 ] - [ -0.0006152700000000, 0.0006149900000000, -0.0000487500000000 ] - [ -0.0006716800000000, 0.0003279000000000, 0.0000624100000000 ] - [ 0.0002260300000000, -0.0002357500000000, 0.0003976100000000 ] - [ -0.0000381300000000, -0.0001254600000000, 0.0003929000000000 ] - [ -0.0007037400000000, 0.0000884000000000, -0.0001473900000000 ] - [ -0.0001717900000000, 0.0005174900000000, -0.0002381800000000 ] - [ 0.0000973400000000, -0.0004778900000000, -0.0000246400000000 ] - [ 0.0001897700000000, -0.0004200800000000, -0.0000851600000000 ] - [ 0.0000505700000000, -0.0000512700000000, 0.0010022700000000 ] - [ 0.0001947100000000, -0.0009861200000000, 0.0003669200000000 ] - [ -0.0002775500000000, 0.0002097000000000, 0.0000569300000000 ] - [ 0.0004655300000000, 0.0002463600000000, 0.0000473700000000 ] - [ 0.0000242400000000, -0.0003032300000000, -0.0003109100000000 ] - [ -0.0001783900000000, 0.0001014000000000, 0.0003215800000000 ] - [ 0.0002172300000000, 0.0000440100000000, 0.0001836200000000 ] - [ -0.0002504700000000, 0.0000352400000000, 0.0001728000000000 ] - [ -0.0004146900000000, -0.0002080700000000, 0.0001964000000000 ] - [ -0.0000263800000000, -0.0003176200000000, 0.0039611800000000 ] - [ 0.0001488900000000, 0.0000987500000000, 0.0002023600000000 ] - [ -0.0002583500000000, 0.0001006700000000, 0.0002074200000000 ] - [ 0.0003201700000000, 0.0000676400000000, -0.0007414400000000 ] - [ -0.0001165200000000, -0.0001292000000000, 0.0002141900000000 ] - [ 0.0001311000000000, 0.0002748700000000, 0.0000314800000000 ] - [ -0.0002597800000000, 0.0002636600000000, 0.0000290200000000 ] - [ 0.0006126800000000, -0.0003683200000000, -0.0019898700000000 ] - [ -0.0012509000000000, 0.0013631100000000, 0.0038496200000000 ] - [ -0.0000292000000000, -0.0000525500000000, -0.0000956600000000 ] - [ -0.0002148400000000, -0.0000084700000000, -0.0000930500000000 ] - [ -0.0000894100000000, 0.0004226300000000, -0.0004391300000000 ] - [ 0.0001410600000000, 0.0005634700000000, 0.0053946200000000 ] - [ -0.0000356200000000, 0.0000440300000000, -0.0000662200000000 ] - [ -0.0001981300000000, 0.0000306000000000, -0.0000564900000000 ] - [ 0.0188185000000000, -0.0352855700000000, -0.0440359100000000 ] - [ 0.0025108800000000, 0.0006339100000000, -0.0004520500000000 ] - [ -0.0001518300000000, -0.0002648500000000, -0.0000479700000000 ] - [ -0.0001090300000000, -0.0001644900000000, -0.0000161600000000 ] - [ 0.0000894800000000, 0.0005011000000000, -0.0000310100000000 ] - [ -0.0009977700000000, 0.0033689000000000, -0.0073753200000000 ] - [ -0.0002369700000000, -0.0000277000000000, -0.0000468000000000 ] - [ -0.0001357900000000, -0.0000260200000000, -0.0000625500000000 ] - [ -0.0007130700000000, -0.0006018400000000, 0.0048449100000000 ] - [ 0.0011422400000000, -0.0014144000000000, -0.0089063500000000 ] - [ 0.0003218900000000, -0.0000919100000000, 0.0001449200000000 ] - [ -0.0007266600000000, -0.0000921100000000, 0.0001390100000000 ] - [ 0.0026787800000000, 0.0008999000000000, 0.0048227400000000 ] - [ -0.0004003100000000, 0.0000713300000000, -0.0000701400000000 ] - [ -0.0000849900000000, -0.0000287800000000, -0.0000744100000000 ] - [ -0.0002531100000000, 0.0000379800000000, -0.0010931800000000 ] - [ -0.0001168600000000, -0.0005550100000000, -0.0001675900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0044108500000000, 0.0010431400000000, -0.0002346000000000 ] - [ 0.0010793800000000, 0.0003105400000000, -0.0000603400000000 ] - [ 0.0021495900000000, -0.0006495600000000, 0.0000614400000000 ] - [ 0.0020053600000000, 0.0004113000000000, -0.0000322000000000 ] - [ 0.0007046000000000, 0.0014629800000000, -0.0002810800000000 ] - [ -0.0028553400000000, 0.0013277500000000, -0.0005105800000000 ] - [ 0.0023627500000000, -0.0001169200000000, -0.0002626700000000 ] - [ 0.0014261900000000, 0.0005181300000000, 0.0001926200000000 ] - [ 0.0019768500000000, -0.0000589800000000, 0.0002030700000000 ] - [ 0.0016879000000000, 0.0004045200000000, 0.0001359300000000 ] - [ 0.0021353900000000, 0.0004062900000000, 0.0003917600000000 ] - [ -0.0053782900000000, 0.0003686600000000, -0.0005080500000000 ] - [ 0.0023780600000000, -0.0002401800000000, 0.0002295800000000 ] - [ 0.0019026800000000, 0.0004429200000000, -0.0002900300000000 ] - [ 0.0018645800000000, 0.0001785400000000, 0.0000857600000000 ] - [ -0.0050532000000000, 0.0005693500000000, 0.0013288100000000 ] - [ 0.0045007500000000, -0.0014906200000000, 0.0073205300000000 ] - [ 0.0015972300000000, -0.0004257300000000, 0.0000976100000000 ] - [ 0.0021654400000000, 0.0005546300000000, -0.0000870700000000 ] - [ -0.0024208900000000, -0.0011513200000000, -0.0001736500000000 ] - [ -0.3308821800000000, -0.0360615700000000, -0.0325168200000000 ] - [ 0.0001705100000000, -0.0000022700000000, -0.0003108000000000 ] - [ 0.0019745800000000, -0.0002167700000000, -0.0000881300000000 ] - [ -0.0090717800000000, 0.0012692000000000, 0.0002703600000000 ] - [ -0.0003234000000000, -0.0039926500000000, -0.0026297100000000 ] - [ 0.0018674100000000, -0.0003887600000000, -0.0002554700000000 ] - [ 0.0016750000000000, 0.0002276700000000, -0.0002328700000000 ] - [ 0.0006811700000000, 0.0055498700000000, 0.0007492700000000 ] - [ -0.0016951400000000, -0.0031795300000000, 0.0022002700000000 ] - [ 0.0016507600000000, -0.0005670300000000, 0.0004097700000000 ] - [ 0.0020807100000000, 0.0002228100000000, -0.0002460900000000 ] - [ -0.0003281200000000, 0.0037365500000000, -0.0010713000000000 ] - [ 0.0015174400000000, 0.0000735100000000, -0.0000837200000000 ] - [ 0.0019069400000000, 0.0006878100000000, -0.0002341700000000 ] - [ 0.0024016700000000, -0.0004697200000000, -0.0001762700000000 ] - [ 0.0234747700000000, -0.0190003500000000, 0.0041226500000000 ] - [ 0.0013773300000000, 0.0000551900000000, 0.0002926200000000 ] - [ 0.0019286500000000, -0.0004919900000000, 0.0004605500000000 ] - [ 0.0017990400000000, -0.0008882600000000, 0.0002022500000000 ] - [ 0.0061065200000000, 0.0077665800000000, 0.0135221200000000 ] - [ 0.0016996100000000, 0.0002800600000000, 0.0001075300000000 ] - [ 0.0018760200000000, -0.0008818900000000, -0.0003075200000000 ] - [ 0.0017494200000000, -0.0012382900000000, 0.0001166000000000 ] - [ 0.0181467100000000, 0.0170071700000000, -0.0135354800000000 ] - [ 0.0015593100000000, -0.0002925700000000, 0.0000860400000000 ] - [ 0.0013822100000000, 0.0000754200000000, 0.0002059700000000 ] - [ 0.0022554800000000, 0.0002332600000000, -0.0001618500000000 ] - [ 0.0017232100000000, -0.0004136900000000, -0.0005203500000000 ] - [ -0.0011565000000000, 0.0000351300000000, 0.0001813300000000 ] - [ -0.0008684900000000, 0.0000071500000000, 0.0001805700000000 ] - [ -0.0024108800000000, -0.0001987500000000, 0.0000793300000000 ] - [ 0.0019574100000000, 0.0019369800000000, 0.0004620300000000 ] - [ 0.0100681400000000, -0.0003464500000000, -0.0018384300000000 ] - [ -0.0009252100000000, 0.0001307300000000, 0.0001664000000000 ] - [ -0.0012899000000000, 0.0000289000000000, 0.0002439900000000 ] - [ 0.0022236100000000, -0.0004909900000000, 0.0001416100000000 ] - [ 0.0030730500000000, -0.0018708700000000, -0.0001756100000000 ] - [ -0.0004752800000000, 0.0002281300000000, 0.0000220900000000 ] - [ -0.0013336100000000, 0.0002988400000000, -0.0000046000000000 ] - [ -0.0011739600000000, -0.0005106700000000, 0.0000639800000000 ] - [ -0.0030569900000000, 0.0000583800000000, -0.0002349700000000 ] - [ -0.0022777900000000, -0.0001412600000000, -0.0001269700000000 ] - [ -0.0015934100000000, -0.0009901800000000, -0.0001860300000000 ] - [ 0.0035201800000000, -0.0017396100000000, 0.0000577800000000 ] - [ 0.0003213700000000, 0.0034063000000000, -0.0007012800000000 ] - [ -0.0022325400000000, 0.0000633600000000, -0.0000981300000000 ] - [ -0.0025139000000000, -0.0000060100000000, -0.0000276000000000 ] - [ 0.0031128800000000, -0.0047458000000000, -0.0052447500000000 ] - [ 0.2372565100000000, 0.0313307600000000, 0.0260221200000000 ] - [ -0.0025261200000000, 0.0005764700000000, 0.0001915500000000 ] - [ -0.0022899300000000, -0.0001573100000000, -0.0001297300000000 ] - [ -0.0018044600000000, 0.0001652100000000, 0.0000492800000000 ] - [ -0.0030886500000000, 0.0027922400000000, 0.0000905600000000 ] - [ -0.0038847300000000, -0.0000293300000000, 0.0000556800000000 ] - [ -0.0040440600000000, -0.0001972100000000, -0.0001270100000000 ] - [ 0.0230158500000000, -0.0035607900000000, 0.0008347600000000 ] - [ 0.0271416000000000, 0.0032498500000000, 0.0003229700000000 ] - [ -0.0032691400000000, 0.0002662800000000, 0.0000721900000000 ] - [ -0.0044722300000000, -0.0001331200000000, 0.0002033600000000 ] - [ -0.0022609900000000, -0.0022249400000000, 0.0002315200000000 ] - [ -0.0040729600000000, -0.0063423100000000, 0.0017475000000000 ] - [ 0.0006893000000000, 0.0062682100000000, -0.0002539700000000 ] - [ -0.0043217100000000, 0.0002648100000000, 0.0000068700000000 ] - [ -0.0035585000000000, -0.0003873200000000, -0.0002606900000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0049171600000000, -0.0005783700000000, 0.0003028300000000 ] - [ -0.0016117600000000, -0.0007784600000000, 0.0001314100000000 ] - [ -0.0016136800000000, 0.0001818800000000, 0.0000093300000000 ] - [ -0.0025404800000000, 0.0000526300000000, 0.0001047300000000 ] - [ 0.0001204400000000, -0.0008394000000000, 0.0001952700000000 ] - [ 0.0020007900000000, -0.0019433900000000, 0.0004204200000000 ] - [ -0.0015216400000000, -0.0005062200000000, 0.0001756300000000 ] - [ -0.0022567000000000, 0.0001050300000000, -0.0002780700000000 ] - [ -0.0017938600000000, -0.0000362000000000, -0.0000212900000000 ] - [ -0.0018648600000000, -0.0002999800000000, 0.0000537200000000 ] - [ -0.0019523500000000, -0.0003000100000000, -0.0001999700000000 ] - [ 0.0051611700000000, -0.0004711900000000, 0.0007001200000000 ] - [ -0.0024106000000000, 0.0000809300000000, -0.0001829800000000 ] - [ -0.0018702300000000, -0.0002805000000000, 0.0003373000000000 ] - [ -0.0018894900000000, -0.0000168200000000, -0.0000382800000000 ] - [ 0.0050503900000000, -0.0007207300000000, -0.0012742100000000 ] - [ -0.0039721400000000, 0.0014064700000000, -0.0074090200000000 ] - [ -0.0021912200000000, 0.0005205700000000, -0.0000910500000000 ] - [ -0.0015635200000000, -0.0004544200000000, 0.0000924300000000 ] - [ 0.0018514300000000, 0.0010838000000000, 0.0001810100000000 ] - [ 0.3155471300000000, 0.0326653000000000, 0.0298996900000000 ] - [ -0.0000622800000000, 0.0005905500000000, -0.0002933000000000 ] - [ -0.0018639500000000, -0.0003706300000000, -0.0005180700000000 ] - [ 0.0090145200000000, -0.0006363200000000, -0.0008565800000000 ] - [ 0.0000911600000000, 0.0041591400000000, 0.0021458000000000 ] - [ -0.0016002300000000, 0.0002268100000000, -0.0002443900000000 ] - [ -0.0019380700000000, -0.0003882000000000, -0.0002678700000000 ] - [ -0.0004137400000000, -0.0054446500000000, -0.0012714600000000 ] - [ 0.0020426800000000, 0.0035104300000000, -0.0020142000000000 ] - [ -0.0019731300000000, 0.0002392500000000, -0.0002220700000000 ] - [ -0.0017525700000000, -0.0005470700000000, 0.0004309400000000 ] - [ 0.0000184800000000, -0.0034316400000000, 0.0012733500000000 ] - [ -0.0017216200000000, -0.0004813200000000, -0.0002283700000000 ] - [ -0.0016980300000000, -0.0002792200000000, -0.0000775000000000 ] - [ -0.0026047200000000, 0.0008753800000000, -0.0001363900000000 ] - [ -0.0228303800000000, 0.0182647800000000, -0.0043754800000000 ] - [ -0.0016481300000000, 0.0002745400000000, 0.0004695600000000 ] - [ -0.0016496900000000, 0.0001600000000000, 0.0003045600000000 ] - [ -0.0020696100000000, 0.0005532100000000, 0.0005598100000000 ] - [ -0.0057844600000000, -0.0073377200000000, -0.0126092300000000 ] - [ -0.0015717500000000, 0.0006340900000000, -0.0002699000000000 ] - [ -0.0019953000000000, -0.0000374100000000, 0.0001407700000000 ] - [ -0.0016212700000000, 0.0003197400000000, -0.0002766600000000 ] - [ -0.0180000800000000, -0.0158195200000000, 0.0131836600000000 ] - [ -0.0007940800000000, -0.0001662700000000, 0.0000162700000000 ] - [ -0.0021362700000000, 0.0003818600000000, -0.0001003300000000 ] - [ -0.0014873500000000, 0.0002257700000000, 0.0002649100000000 ] - [ -0.0018278400000000, -0.0001737600000000, -0.0000866200000000 ] - [ 0.0007310700000000, -0.0001045300000000, 0.0001893900000000 ] - [ 0.0012853500000000, 0.0000597400000000, 0.0001892700000000 ] - [ 0.0019818700000000, 0.0002644400000000, 0.0002901700000000 ] - [ -0.0015164300000000, -0.0019997500000000, -0.0000930800000000 ] - [ -0.0113781700000000, 0.0002106700000000, 0.0024513700000000 ] - [ 0.0013323700000000, 0.0000657800000000, 0.0002446800000000 ] - [ 0.0008739600000000, 0.0001658900000000, 0.0001660800000000 ] - [ -0.0018120400000000, 0.0002959300000000, 0.0002693200000000 ] - [ -0.0034461000000000, 0.0013318900000000, 0.0002328100000000 ] - [ 0.0008658000000000, 0.0003114200000000, 0.0000352100000000 ] - [ 0.0009410200000000, 0.0002394300000000, 0.0000624200000000 ] - [ 0.0015620900000000, -0.0000266300000000, -0.0000062600000000 ] - [ 0.0028779300000000, 0.0000171700000000, 0.0000598600000000 ] - [ 0.0024497700000000, 0.0000634400000000, -0.0000511000000000 ] - [ 0.0014137500000000, 0.0009102300000000, 0.0000069700000000 ] - [ -0.0033221600000000, 0.0018042200000000, -0.0002345900000000 ] - [ -0.0004847100000000, -0.0034862000000000, 0.0005767700000000 ] - [ 0.0023790700000000, 0.0000137200000000, -0.0000218800000000 ] - [ 0.0023559400000000, 0.0000826200000000, -0.0000915600000000 ] - [ -0.0030446600000000, 0.0046912800000000, 0.0051725800000000 ] - [ -0.2224028300000000, -0.0282290800000000, -0.0235700400000000 ] - [ 0.0025201900000000, -0.0010403500000000, -0.0002777400000000 ] - [ 0.0022819900000000, -0.0003050400000000, 0.0000423900000000 ] - [ 0.0017966000000000, 0.0002987500000000, -0.0001360100000000 ] - [ 0.0031877900000000, -0.0027732300000000, -0.0002023300000000 ] - [ 0.0037609000000000, -0.0000074400000000, -0.0001688100000000 ] - [ 0.0041508900000000, 0.0001578700000000, 0.0000137200000000 ] - [ -0.0231472100000000, 0.0036927100000000, -0.0010040200000000 ] - [ -0.0282073000000000, -0.0030182500000000, -0.0000065400000000 ] - [ 0.0043375700000000, -0.0004488100000000, 0.0002205900000000 ] - [ 0.0033852700000000, -0.0000528200000000, 0.0000899200000000 ] - [ 0.0033247300000000, 0.0024213600000000, 0.0000592100000000 ] - [ 0.0035061400000000, 0.0062080600000000, -0.0020666300000000 ] - [ -0.0001203100000000, -0.0061108500000000, -0.0000795500000000 ] - [ 0.0037519200000000, -0.0001501900000000, -0.0003396900000000 ] - [ 0.0041096500000000, 0.0002737900000000, -0.0000731600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011325400000000, 0.0062692700000000, 0.0002627500000000 ] - [ -0.0004365000000000, 0.0009756300000000, -0.0001110900000000 ] - [ 0.0004208500000000, -0.0003516700000000, 0.0000456300000000 ] - [ 0.0006109000000000, -0.0006459500000000, 0.0000217100000000 ] - [ 0.0007921900000000, 0.0033935700000000, -0.0009386900000000 ] - [ -0.0019909000000000, 0.0033527200000000, 0.0003894900000000 ] - [ 0.0005000000000000, -0.0006446800000000, -0.0001286800000000 ] - [ -0.0002112800000000, 0.0001586200000000, 0.0000169300000000 ] - [ -0.0003007600000000, -0.0006027400000000, 0.0004117200000000 ] - [ 0.0001029200000000, 0.0000385500000000, 0.0000685300000000 ] - [ 0.0014241300000000, 0.0005679400000000, 0.0005875300000000 ] - [ -0.0050255600000000, 0.0037598800000000, -0.0032756700000000 ] - [ -0.0004755600000000, -0.0007885500000000, -0.0003116100000000 ] - [ 0.0002023300000000, 0.0000809100000000, 0.0000169000000000 ] - [ 0.0009885000000000, 0.0003926500000000, -0.0002984200000000 ] - [ -0.0033419200000000, 0.0048400400000000, 0.0036465500000000 ] - [ -0.0003262000000000, -0.0062261700000000, -0.0008117800000000 ] - [ -0.0001913800000000, -0.0001216400000000, 0.0000198100000000 ] - [ 0.0006111500000000, 0.0002990000000000, -0.0000175200000000 ] - [ 0.0048959300000000, 0.0103016600000000, 0.0007546700000000 ] - [ -0.0344473300000000, -0.0855364300000000, 0.0052238100000000 ] - [ -0.0011393200000000, 0.0031838500000000, 0.0003049100000000 ] - [ 0.0002231700000000, -0.0006552800000000, -0.0002289400000000 ] - [ 0.0010554400000000, -0.0049642500000000, -0.0003162700000000 ] - [ -0.0059224200000000, 0.0056709400000000, 0.0006588000000000 ] - [ 0.0001643300000000, 0.0000101300000000, -0.0001862800000000 ] - [ 0.0001211600000000, -0.0001423600000000, -0.0003222300000000 ] - [ 0.0055959900000000, 0.0021582200000000, 0.0026944200000000 ] - [ -0.0054838900000000, 0.0081988200000000, -0.0008676600000000 ] - [ -0.0001368900000000, -0.0000395800000000, 0.0000371400000000 ] - [ 0.0003708400000000, -0.0001917700000000, 0.0001099600000000 ] - [ 0.0040235400000000, -0.0001596300000000, -0.0016735900000000 ] - [ -0.0001699400000000, 0.0003919900000000, -0.0001839300000000 ] - [ 0.0003166700000000, 0.0003620100000000, -0.0001636300000000 ] - [ 0.0016226800000000, -0.0018220800000000, -0.0001780200000000 ] - [ -0.0222912200000000, -0.0004497200000000, -0.0019544800000000 ] - [ 0.0003643000000000, 0.0005218700000000, 0.0006041900000000 ] - [ 0.0002426200000000, -0.0001485500000000, 0.0003663300000000 ] - [ -0.0013358000000000, -0.0006684100000000, 0.0011170200000000 ] - [ 0.0144320200000000, -0.0031838400000000, 0.0088397200000000 ] - [ 0.0006686500000000, 0.0007551000000000, -0.0003177600000000 ] - [ 0.0000392100000000, -0.0004417100000000, -0.0000642200000000 ] - [ -0.0012240000000000, -0.0009052300000000, -0.0007713200000000 ] - [ 0.0234558200000000, 0.0030107200000000, -0.0110593000000000 ] - [ 0.0004264800000000, 0.0015899100000000, -0.0002226700000000 ] - [ -0.0002155000000000, 0.0002832700000000, 0.0000769500000000 ] - [ 0.0003728900000000, -0.0005321800000000, 0.0000170900000000 ] - [ 0.0000715400000000, -0.0002170900000000, -0.0003343600000000 ] - [ -0.0001399600000000, -0.0002036500000000, 0.0001771100000000 ] - [ 0.0000955500000000, -0.0000296700000000, 0.0001864000000000 ] - [ -0.0004965400000000, 0.0015798100000000, 0.0000343200000000 ] - [ 0.0015124400000000, 0.0027539200000000, 0.0002096000000000 ] - [ 0.0000054300000000, 0.0033466000000000, 0.0001024300000000 ] - [ 0.0001359900000000, 0.0001392100000000, 0.0002031700000000 ] - [ -0.0003877200000000, -0.0000074100000000, 0.0002193000000000 ] - [ -0.0000087300000000, -0.0026073700000000, 0.0003489100000000 ] - [ -0.0008593700000000, -0.0049935200000000, -0.0003291100000000 ] - [ 0.0002382100000000, -0.0001652600000000, 0.0000049500000000 ] - [ -0.0002834700000000, 0.0003002300000000, 0.0000267000000000 ] - [ -0.0003902100000000, 0.0001868700000000, 0.0000778300000000 ] - [ -0.0002625700000000, 0.0012737200000000, 0.0000826400000000 ] - [ -0.0001362600000000, 0.0000491700000000, -0.0001025600000000 ] - [ -0.0007384100000000, -0.0016531400000000, -0.0000782400000000 ] - [ 0.0012624800000000, -0.0080211500000000, -0.0002137300000000 ] - [ 0.0024832600000000, -0.0106731100000000, -0.0021532500000000 ] - [ -0.0001009700000000, -0.0002296100000000, -0.0000246600000000 ] - [ -0.0002944300000000, 0.0002265700000000, -0.0000636200000000 ] - [ -0.0051043300000000, 0.0061635500000000, -0.0016123900000000 ] - [ 0.0233395500000000, 0.0494570700000000, 0.0022486300000000 ] - [ 0.0000845900000000, 0.0023774900000000, -0.0001611500000000 ] - [ -0.0001781300000000, -0.0003574600000000, -0.0000525400000000 ] - [ -0.0002050900000000, -0.0006523700000000, -0.0000362100000000 ] - [ 0.0039768500000000, 0.0005236900000000, -0.0002967900000000 ] - [ -0.0003265400000000, -0.0000598400000000, -0.0000414500000000 ] - [ -0.0011575600000000, 0.0004552400000000, -0.0000725300000000 ] - [ -0.0033833200000000, 0.0167074100000000, -0.0050610700000000 ] - [ 0.0056822600000000, 0.0066965200000000, 0.0035367100000000 ] - [ 0.0011451100000000, -0.0001126900000000, 0.0001622500000000 ] - [ -0.0009048400000000, -0.0001242200000000, 0.0001472700000000 ] - [ -0.0036641500000000, -0.0029561700000000, 0.0003310900000000 ] - [ -0.0057832900000000, -0.0060803000000000, 0.0015931300000000 ] - [ 0.0049472400000000, -0.0046740200000000, -0.0006063500000000 ] - [ -0.0002290600000000, 0.0001679500000000, -0.0001327100000000 ] - [ -0.0004563800000000, 0.0000681800000000, -0.0002085200000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005901600000000, -0.0058551100000000, -0.0001956800000000 ] - [ -0.0000986300000000, -0.0014461800000000, 0.0001819100000000 ] - [ 0.0001031900000000, -0.0001063300000000, 0.0000222600000000 ] - [ -0.0011481300000000, 0.0011163100000000, 0.0000485100000000 ] - [ 0.0000497600000000, -0.0027913300000000, 0.0008500400000000 ] - [ 0.0011729200000000, -0.0039998700000000, -0.0004758400000000 ] - [ 0.0003466200000000, 0.0000251600000000, 0.0000396700000000 ] - [ -0.0006346400000000, 0.0004612300000000, -0.0001073800000000 ] - [ 0.0004815800000000, 0.0005132300000000, -0.0002394000000000 ] - [ -0.0002903600000000, 0.0000549700000000, 0.0001134700000000 ] - [ -0.0012527600000000, -0.0004734100000000, -0.0004061100000000 ] - [ 0.0049261100000000, -0.0038761400000000, 0.0034967000000000 ] - [ 0.0004409700000000, 0.0006216700000000, 0.0003517500000000 ] - [ -0.0001758700000000, 0.0000781400000000, 0.0000276100000000 ] - [ -0.0010277900000000, -0.0002360200000000, 0.0003428500000000 ] - [ 0.0034306800000000, -0.0050310000000000, -0.0036501600000000 ] - [ 0.0009620500000000, 0.0061361100000000, 0.0008417300000000 ] - [ -0.0004123900000000, 0.0002243700000000, -0.0000145400000000 ] - [ -0.0000140200000000, -0.0001933600000000, 0.0000216600000000 ] - [ -0.0055773700000000, -0.0105099400000000, -0.0007556500000000 ] - [ 0.0341890700000000, 0.0873746100000000, -0.0052816200000000 ] - [ 0.0012259300000000, -0.0026139500000000, -0.0009139100000000 ] - [ -0.0001073200000000, 0.0000701900000000, -0.0003734600000000 ] - [ -0.0011507700000000, 0.0056625400000000, -0.0002549500000000 ] - [ 0.0056489700000000, -0.0055350900000000, -0.0011291600000000 ] - [ 0.0000952900000000, -0.0001726100000000, -0.0003150800000000 ] - [ -0.0003930700000000, -0.0000221900000000, -0.0001806900000000 ] - [ -0.0053779200000000, -0.0019953100000000, -0.0032498700000000 ] - [ 0.0057725700000000, -0.0078487400000000, 0.0010124200000000 ] - [ -0.0001918500000000, -0.0002877600000000, 0.0001533800000000 ] - [ -0.0000544400000000, -0.0001360800000000, 0.0000829800000000 ] - [ -0.0043718900000000, 0.0005127700000000, 0.0018918600000000 ] - [ -0.0000478000000000, -0.0008220400000000, -0.0001295100000000 ] - [ -0.0001158800000000, 0.0000557900000000, -0.0001482300000000 ] - [ -0.0018403300000000, 0.0022467200000000, -0.0001361100000000 ] - [ 0.0225718600000000, 0.0001490200000000, 0.0016282600000000 ] - [ -0.0006499000000000, -0.0001790800000000, 0.0001769800000000 ] - [ 0.0000301400000000, -0.0001950200000000, 0.0004189400000000 ] - [ 0.0010559700000000, 0.0003313100000000, -0.0003358100000000 ] - [ -0.0142012800000000, 0.0034041000000000, -0.0080896300000000 ] - [ -0.0005515500000000, 0.0001626400000000, 0.0001534500000000 ] - [ -0.0001699400000000, -0.0004789200000000, -0.0001043000000000 ] - [ 0.0013513300000000, -0.0000037800000000, 0.0006092400000000 ] - [ -0.0235016600000000, -0.0022283400000000, 0.0108450700000000 ] - [ 0.0003031300000000, -0.0020525200000000, 0.0003317000000000 ] - [ -0.0005246900000000, 0.0001728000000000, 0.0000303800000000 ] - [ 0.0003665900000000, 0.0009916400000000, 0.0000893400000000 ] - [ -0.0001961700000000, -0.0003686500000000, -0.0002669300000000 ] - [ -0.0002801000000000, 0.0001364200000000, 0.0001920000000000 ] - [ 0.0003325400000000, 0.0000957800000000, 0.0001824100000000 ] - [ 0.0000840600000000, -0.0015150500000000, 0.0003345300000000 ] - [ -0.0010865800000000, -0.0028475400000000, 0.0001559200000000 ] - [ -0.0004216500000000, -0.0035577900000000, 0.0003065400000000 ] - [ 0.0002806200000000, 0.0000562400000000, 0.0002070400000000 ] - [ -0.0000178800000000, 0.0002057800000000, 0.0001913200000000 ] - [ 0.0004201200000000, 0.0024184600000000, 0.0000590900000000 ] - [ 0.0004475600000000, 0.0044647600000000, 0.0003851200000000 ] - [ 0.0001496100000000, 0.0007032900000000, 0.0000533000000000 ] - [ -0.0000994500000000, 0.0002344700000000, 0.0000317200000000 ] - [ 0.0007790000000000, -0.0007293600000000, -0.0000203700000000 ] - [ 0.0000746400000000, -0.0011989600000000, -0.0002587500000000 ] - [ 0.0003333300000000, -0.0001317500000000, -0.0000743500000000 ] - [ 0.0005525000000000, 0.0015810700000000, -0.0001001500000000 ] - [ -0.0011000400000000, 0.0081569300000000, 0.0000310500000000 ] - [ -0.0026266400000000, 0.0106509200000000, 0.0020247100000000 ] - [ 0.0002699400000000, 0.0003037600000000, -0.0000979500000000 ] - [ 0.0001401700000000, -0.0001527000000000, -0.0000584700000000 ] - [ 0.0052135800000000, -0.0063237200000000, 0.0014880700000000 ] - [ -0.0238094800000000, -0.0494121500000000, -0.0023897000000000 ] - [ -0.0000925900000000, -0.0028508800000000, 0.0000710700000000 ] - [ 0.0001988400000000, -0.0001033700000000, -0.0000361500000000 ] - [ 0.0002022400000000, 0.0011170500000000, -0.0000525600000000 ] - [ -0.0038829900000000, -0.0004608900000000, 0.0001877000000000 ] - [ 0.0002443900000000, 0.0000250200000000, -0.0000733100000000 ] - [ 0.0012676200000000, -0.0004928400000000, -0.0000415400000000 ] - [ 0.0033088400000000, -0.0185182800000000, 0.0054596400000000 ] - [ -0.0068229900000000, -0.0062960800000000, -0.0034297200000000 ] - [ -0.0000796100000000, -0.0000724000000000, 0.0001273000000000 ] - [ -0.0001386800000000, -0.0000611700000000, 0.0001420000000000 ] - [ 0.0047579600000000, 0.0031332900000000, -0.0000419900000000 ] - [ 0.0052586000000000, 0.0060076000000000, -0.0019240200000000 ] - [ -0.0044212000000000, 0.0047667600000000, 0.0002803600000000 ] - [ -0.0003240300000000, -0.0000450400000000, -0.0001978100000000 ] - [ 0.0010315800000000, -0.0001941100000000, -0.0001222100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012191200000000, -0.0015508800000000, 0.0005950600000000 ] - [ -0.0001407400000000, -0.0003238000000000, 0.0000283400000000 ] - [ 0.0004383500000000, -0.0002644900000000, 0.0000390900000000 ] - [ -0.0002401100000000, 0.0004015800000000, -0.0000674300000000 ] - [ 0.0004290400000000, 0.0000666700000000, -0.0001271100000000 ] - [ -0.0007198700000000, -0.0004618200000000, -0.0001325800000000 ] - [ 0.0006041000000000, -0.0002225900000000, -0.0000397500000000 ] - [ -0.0002511800000000, 0.0003636400000000, -0.0000322000000000 ] - [ 0.0003388700000000, -0.0000675000000000, 0.0000703900000000 ] - [ 0.0000550500000000, 0.0000946700000000, 0.0001100700000000 ] - [ 0.0001138300000000, -0.0001674500000000, 0.0003976000000000 ] - [ -0.0000577400000000, -0.0006648100000000, 0.0006389300000000 ] - [ 0.0003506400000000, -0.0000537300000000, 0.0003175700000000 ] - [ 0.0001740700000000, 0.0001203700000000, -0.0000084200000000 ] - [ -0.0000766700000000, 0.0001149300000000, 0.0000880500000000 ] - [ 0.0003590600000000, -0.0008537600000000, -0.0009359300000000 ] - [ 0.0051847600000000, 0.0008168100000000, 0.0042306200000000 ] - [ -0.0001292200000000, 0.0000184300000000, 0.0000074200000000 ] - [ 0.0004375800000000, 0.0000802600000000, -0.0000005300000000 ] - [ -0.0017744200000000, -0.0020305400000000, -0.0003074800000000 ] - [ -0.0311731200000000, 0.0049265900000000, -0.0600103400000000 ] - [ 0.0002302000000000, -0.0002340700000000, -0.0007227200000000 ] - [ 0.0002247900000000, -0.0002570700000000, -0.0002870500000000 ] - [ -0.0010793500000000, 0.0018288000000000, 0.0229225000000000 ] - [ -0.0001590600000000, 0.0016737400000000, 0.0020588000000000 ] - [ 0.0002914800000000, -0.0001212700000000, -0.0002557000000000 ] - [ 0.0000154600000000, -0.0000416400000000, -0.0002428600000000 ] - [ -0.0001954100000000, 0.0018250600000000, -0.0001024900000000 ] - [ 0.0017179700000000, -0.0025997400000000, -0.0008885700000000 ] - [ 0.0000007600000000, -0.0002222100000000, 0.0001308300000000 ] - [ 0.0003268500000000, -0.0001236900000000, 0.0000621800000000 ] - [ -0.0011293400000000, 0.0000970200000000, 0.0018248500000000 ] - [ 0.0000749400000000, -0.0003005700000000, -0.0001441900000000 ] - [ 0.0002415000000000, 0.0002158600000000, -0.0001617400000000 ] - [ 0.0002840400000000, 0.0001977400000000, 0.0003424400000000 ] - [ 0.0028631400000000, -0.0014076400000000, -0.0084882300000000 ] - [ -0.0001064200000000, 0.0001159300000000, 0.0003229800000000 ] - [ 0.0003010400000000, -0.0001969000000000, 0.0003849800000000 ] - [ 0.0002735100000000, -0.0002775800000000, 0.0002811400000000 ] - [ 0.0181090300000000, 0.0101152900000000, 0.0116319700000000 ] - [ 0.0001095700000000, 0.0003995000000000, -0.0000387700000000 ] - [ 0.0001196600000000, -0.0005054300000000, -0.0001073700000000 ] - [ 0.0001677700000000, -0.0004723700000000, -0.0001117600000000 ] - [ -0.0172727800000000, -0.0093647300000000, 0.0017056300000000 ] - [ 0.0003517700000000, -0.0005052300000000, 0.0002620400000000 ] - [ -0.0002381900000000, 0.0002069700000000, 0.0000634800000000 ] - [ 0.0005999500000000, 0.0002647500000000, -0.0000104000000000 ] - [ 0.0001025200000000, -0.0003154000000000, -0.0003225100000000 ] - [ -0.0002952200000000, 0.0000077800000000, 0.0001846000000000 ] - [ 0.0001204000000000, 0.0000424600000000, 0.0001837900000000 ] - [ -0.0003137500000000, -0.0001811700000000, 0.0005245300000000 ] - [ 0.0007377500000000, -0.0000479800000000, -0.0011936700000000 ] - [ -0.0014405800000000, -0.0002413600000000, 0.0021255300000000 ] - [ 0.0001014300000000, 0.0000968700000000, 0.0002015000000000 ] - [ -0.0002839000000000, 0.0000981000000000, 0.0002069900000000 ] - [ 0.0003376400000000, 0.0001630100000000, 0.0000105400000000 ] - [ -0.0001174500000000, -0.0002984000000000, 0.0007181500000000 ] - [ 0.0001318200000000, 0.0002996000000000, 0.0000361100000000 ] - [ -0.0002973400000000, 0.0002665300000000, 0.0000259800000000 ] - [ -0.0000096000000000, -0.0004931900000000, -0.0000356500000000 ] - [ -0.0002847200000000, -0.0002133500000000, -0.0001369500000000 ] - [ -0.0001221300000000, -0.0000644600000000, -0.0000928500000000 ] - [ -0.0000197000000000, 0.0000203100000000, -0.0000186000000000 ] - [ 0.0004331600000000, 0.0016062800000000, 0.0002077700000000 ] - [ -0.0000807600000000, 0.0010990800000000, 0.0024239000000000 ] - [ -0.0001245800000000, 0.0000728000000000, -0.0000633000000000 ] - [ -0.0002892100000000, 0.0000117600000000, -0.0000561900000000 ] - [ -0.0001872600000000, -0.0044789200000000, -0.0050442500000000 ] - [ 0.0237082800000000, 0.0012671300000000, 0.0381486700000000 ] - [ -0.0002814400000000, -0.0001712500000000, 0.0001464200000000 ] - [ -0.0002072400000000, -0.0001996400000000, -0.0000508300000000 ] - [ -0.0000668600000000, 0.0003776900000000, -0.0000295700000000 ] - [ -0.0009314100000000, 0.0013523800000000, -0.0006940600000000 ] - [ -0.0003956900000000, -0.0000117500000000, -0.0000483800000000 ] - [ -0.0002336800000000, -0.0001650400000000, -0.0000777200000000 ] - [ 0.0037963800000000, -0.0014130700000000, 0.0053324600000000 ] - [ -0.0015642800000000, 0.0005315500000000, -0.0135831600000000 ] - [ 0.0001547600000000, -0.0000277000000000, 0.0001053100000000 ] - [ -0.0008903500000000, -0.0000981900000000, 0.0001549300000000 ] - [ 0.0009878600000000, 0.0002933600000000, 0.0006759200000000 ] - [ -0.0001861500000000, -0.0007281300000000, -0.0045641800000000 ] - [ -0.0001277000000000, 0.0009420300000000, -0.0003728200000000 ] - [ -0.0007202400000000, 0.0000707700000000, -0.0001530400000000 ] - [ 0.0000332200000000, -0.0001235800000000, -0.0001687300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017942800000000, 0.0020619200000000, -0.0005152200000000 ] - [ -0.0004020900000000, -0.0001462300000000, 0.0000441000000000 ] - [ 0.0000925800000000, -0.0002058100000000, 0.0000326300000000 ] - [ -0.0003026400000000, 0.0000703500000000, 0.0001412100000000 ] - [ 0.0004074500000000, 0.0005647100000000, 0.0000389700000000 ] - [ -0.0001069900000000, -0.0001532500000000, 0.0000515800000000 ] - [ 0.0002296100000000, -0.0004025400000000, -0.0000457000000000 ] - [ -0.0005881100000000, 0.0002591500000000, -0.0000535800000000 ] - [ -0.0001664600000000, -0.0000343100000000, 0.0001167000000000 ] - [ -0.0002402500000000, 0.0000087000000000, 0.0000804800000000 ] - [ 0.0000649800000000, 0.0002720600000000, -0.0002040100000000 ] - [ -0.0001194700000000, 0.0005683400000000, -0.0004649900000000 ] - [ -0.0003936200000000, -0.0001130600000000, -0.0002773800000000 ] - [ -0.0001476400000000, 0.0000420600000000, 0.0000549700000000 ] - [ 0.0000412200000000, 0.0000487200000000, -0.0000434500000000 ] - [ -0.0003086900000000, 0.0007012400000000, 0.0009892200000000 ] - [ -0.0046645600000000, -0.0009181200000000, -0.0042451200000000 ] - [ -0.0004777100000000, 0.0000824600000000, -0.0000032500000000 ] - [ 0.0001589200000000, 0.0000209000000000, 0.0000047000000000 ] - [ 0.0011947400000000, 0.0019615700000000, 0.0003153000000000 ] - [ 0.0312002200000000, -0.0055701400000000, 0.0611816700000000 ] - [ -0.0001357300000000, 0.0008328000000000, 0.0001111100000000 ] - [ -0.0001217900000000, -0.0003334200000000, -0.0003203900000000 ] - [ 0.0009597400000000, -0.0014353300000000, -0.0235695400000000 ] - [ -0.0001642800000000, -0.0014730300000000, -0.0025891300000000 ] - [ -0.0000324900000000, -0.0000393900000000, -0.0002446900000000 ] - [ -0.0002872100000000, -0.0001221100000000, -0.0002589700000000 ] - [ 0.0004483600000000, -0.0016898400000000, -0.0003771300000000 ] - [ -0.0014034100000000, 0.0029437100000000, 0.0011134900000000 ] - [ -0.0003293200000000, -0.0001048300000000, 0.0000593200000000 ] - [ -0.0000111300000000, -0.0002062300000000, 0.0001299800000000 ] - [ 0.0007989400000000, 0.0002183300000000, -0.0016540600000000 ] - [ -0.0002874900000000, -0.0001057600000000, -0.0001682300000000 ] - [ -0.0000429500000000, 0.0001880900000000, -0.0001492300000000 ] - [ -0.0004916700000000, 0.0002007300000000, -0.0006517900000000 ] - [ -0.0028251000000000, 0.0010851700000000, 0.0081206200000000 ] - [ -0.0001738700000000, 0.0002154000000000, 0.0004393700000000 ] - [ -0.0000308300000000, -0.0001317100000000, 0.0003787200000000 ] - [ -0.0005607000000000, -0.0000504000000000, 0.0004855600000000 ] - [ -0.0176114400000000, -0.0097018000000000, -0.0108590700000000 ] - [ 0.0000088800000000, 0.0005171900000000, -0.0001262300000000 ] - [ -0.0002489600000000, -0.0004111200000000, -0.0000585700000000 ] - [ -0.0000549600000000, -0.0004396400000000, -0.0000561500000000 ] - [ 0.0171754900000000, 0.0103032300000000, -0.0017655200000000 ] - [ 0.0004033400000000, 0.0000513900000000, -0.0001579400000000 ] - [ -0.0005237700000000, 0.0002519700000000, 0.0000418400000000 ] - [ 0.0001557200000000, 0.0001916000000000, 0.0001151600000000 ] - [ -0.0002167200000000, -0.0002719700000000, -0.0002838700000000 ] - [ -0.0001207800000000, -0.0000773300000000, 0.0001851200000000 ] - [ 0.0002998400000000, 0.0000246800000000, 0.0001848800000000 ] - [ -0.0000952500000000, 0.0002571900000000, -0.0001538700000000 ] - [ -0.0003441600000000, -0.0000146200000000, 0.0015628200000000 ] - [ 0.0010156400000000, 0.0000509000000000, -0.0017299100000000 ] - [ 0.0003127600000000, 0.0000983700000000, 0.0002091600000000 ] - [ -0.0001242100000000, 0.0000967900000000, 0.0002026300000000 ] - [ 0.0000688500000000, -0.0003613800000000, 0.0003992400000000 ] - [ -0.0002769700000000, -0.0002351800000000, -0.0006538900000000 ] - [ 0.0002610900000000, 0.0002362200000000, 0.0000214300000000 ] - [ -0.0000881600000000, 0.0002697800000000, 0.0000322000000000 ] - [ 0.0004028700000000, -0.0000426500000000, 0.0000935300000000 ] - [ 0.0001131900000000, 0.0002927700000000, -0.0000377200000000 ] - [ 0.0003064100000000, -0.0000131400000000, -0.0000843800000000 ] - [ -0.0001568900000000, -0.0001001200000000, -0.0001594000000000 ] - [ -0.0002709900000000, -0.0015545100000000, -0.0003851300000000 ] - [ -0.0000759800000000, -0.0012048300000000, -0.0025253200000000 ] - [ 0.0002831600000000, 0.0000028200000000, -0.0000564200000000 ] - [ 0.0001452900000000, 0.0000660100000000, -0.0000632100000000 ] - [ 0.0004028300000000, 0.0044414200000000, 0.0049297000000000 ] - [ -0.0243860600000000, -0.0008558600000000, -0.0386272600000000 ] - [ 0.0002927100000000, -0.0002860800000000, -0.0002355000000000 ] - [ 0.0002102500000000, -0.0002630200000000, -0.0000370000000000 ] - [ 0.0000760600000000, 0.0000845000000000, -0.0000585000000000 ] - [ 0.0010685500000000, -0.0013265800000000, 0.0005734700000000 ] - [ 0.0002919300000000, -0.0000250400000000, -0.0000658500000000 ] - [ 0.0003606400000000, 0.0001298700000000, -0.0000355600000000 ] - [ -0.0040000100000000, 0.0013769200000000, -0.0054696500000000 ] - [ 0.0004831800000000, -0.0001204600000000, 0.0132252800000000 ] - [ 0.0009414600000000, -0.0001582600000000, 0.0001886700000000 ] - [ -0.0001778900000000, -0.0000876000000000, 0.0001386700000000 ] - [ 0.0000917400000000, -0.0001082500000000, -0.0003820900000000 ] - [ -0.0003832400000000, 0.0006290600000000, 0.0042161600000000 ] - [ 0.0006981000000000, -0.0008777900000000, 0.0000377000000000 ] - [ 0.0001724700000000, 0.0000445600000000, -0.0001795900000000 ] - [ 0.0005391300000000, 0.0000090300000000, -0.0001639000000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031879200000000, 0.0009105900000000, -0.0001948200000000 ] - [ 0.0016136700000000, 0.0002447500000000, 0.0000011500000000 ] - [ 0.0019032500000000, -0.0004823300000000, 0.0000764400000000 ] - [ -0.0024853200000000, 0.0015282100000000, -0.0002181100000000 ] - [ 0.0023818900000000, 0.0002525500000000, -0.0003192300000000 ] - [ 0.0014559800000000, -0.0002106400000000, 0.0002823000000000 ] - [ 0.0007442400000000, 0.0001254500000000, -0.0002691000000000 ] - [ 0.0009754300000000, 0.0003889600000000, 0.0001435400000000 ] - [ 0.0016069000000000, 0.0067012300000000, 0.0027684700000000 ] - [ 0.0015009700000000, 0.0002198100000000, 0.0000846800000000 ] - [ 0.0019411500000000, -0.0002834200000000, 0.0000633800000000 ] - [ 0.0016128800000000, 0.0007467600000000, -0.0000830200000000 ] - [ -0.0016836600000000, 0.0022581600000000, -0.0021947300000000 ] - [ 0.0016361600000000, 0.0002776400000000, -0.0002797200000000 ] - [ 0.0019375200000000, -0.0002786600000000, 0.0003352000000000 ] - [ 0.0015562000000000, 0.0007931200000000, -0.0001701000000000 ] - [ -0.0047243300000000, -0.0007283400000000, 0.0000303500000000 ] - [ 0.0015460000000000, -0.0003974200000000, 0.0000895000000000 ] - [ 0.0022229100000000, 0.0004857400000000, -0.0000877600000000 ] - [ 0.0164225500000000, 0.0167286200000000, 0.0094009200000000 ] - [ -0.0002538200000000, -0.0014137600000000, 0.0002390400000000 ] - [ -0.3107355200000000, 0.0321092400000000, -0.0509067100000000 ] - [ 0.0018577900000000, -0.0001665500000000, -0.0000859500000000 ] - [ -0.0027380800000000, -0.0015942500000000, -0.0000160300000000 ] - [ 0.0025049900000000, -0.0081730700000000, 0.0122419500000000 ] - [ 0.0019055800000000, -0.0003970400000000, -0.0002707900000000 ] - [ 0.0016635700000000, 0.0002480600000000, -0.0002264900000000 ] - [ -0.0043593300000000, 0.0000293500000000, -0.0001962400000000 ] - [ 0.0288038300000000, -0.0153731400000000, -0.0156089900000000 ] - [ 0.0017318700000000, -0.0005477400000000, 0.0004313600000000 ] - [ 0.0020412800000000, 0.0002668200000000, -0.0002461000000000 ] - [ -0.0058383200000000, -0.0011969700000000, -0.0022912600000000 ] - [ 0.0000745000000000, 0.0002434900000000, 0.0004964800000000 ] - [ 0.0025068400000000, 0.0001023500000000, -0.0003095400000000 ] - [ 0.0017626500000000, -0.0003796800000000, -0.0000797400000000 ] - [ 0.0014235500000000, -0.0008544600000000, -0.0002243700000000 ] - [ 0.0019344300000000, -0.0068891600000000, 0.0031554700000000 ] - [ 0.0021699400000000, -0.0002204200000000, 0.0003605600000000 ] - [ 0.0016036300000000, 0.0001341800000000, 0.0003282200000000 ] - [ 0.0020347900000000, -0.0001095200000000, 0.0000409100000000 ] - [ -0.0011580700000000, -0.0020000600000000, -0.0001266000000000 ] - [ 0.0020741000000000, -0.0004500100000000, -0.0000553700000000 ] - [ 0.0019444000000000, -0.0000677100000000, 0.0001053100000000 ] - [ 0.0020034300000000, 0.0001110400000000, -0.0000154400000000 ] - [ -0.0086483400000000, -0.0013566000000000, 0.0010819200000000 ] - [ 0.0015606000000000, 0.0000646900000000, 0.0002337100000000 ] - [ 0.0021453400000000, 0.0003642800000000, -0.0001012800000000 ] - [ 0.0017808300000000, -0.0004814100000000, -0.0005123100000000 ] - [ 0.0100755800000000, 0.0001196400000000, -0.0001404600000000 ] - [ -0.0010509500000000, 0.0001958700000000, 0.0001250200000000 ] - [ -0.0013145800000000, 0.0001203100000000, 0.0001843100000000 ] - [ -0.0004615900000000, 0.0000474300000000, 0.0001906100000000 ] - [ 0.0031115900000000, 0.0013220500000000, 0.0001687300000000 ] - [ -0.0008647700000000, 0.0001215200000000, 0.0001681000000000 ] - [ -0.0013481900000000, 0.0000751100000000, 0.0002466900000000 ] - [ 0.0019218200000000, -0.0023111100000000, 0.0007404500000000 ] - [ -0.0023318800000000, -0.0002387000000000, -0.0002713000000000 ] - [ -0.0009412600000000, 0.0002232100000000, 0.0000609500000000 ] - [ -0.0011637000000000, 0.0002028900000000, 0.0000149800000000 ] - [ 0.0022027900000000, 0.0000214700000000, -0.0001395500000000 ] - [ 0.0002758600000000, -0.0041098300000000, 0.0020954100000000 ] - [ -0.0018531800000000, -0.0000186400000000, -0.0001049900000000 ] - [ -0.0025363500000000, 0.0000099400000000, -0.0000385300000000 ] - [ -0.0026596400000000, -0.0011637500000000, -0.0004254100000000 ] - [ 0.2192149200000000, -0.0231713300000000, 0.0404085900000000 ] - [ -0.0023151900000000, 0.0001151100000000, -0.0001068600000000 ] - [ -0.0024232100000000, -0.0000510200000000, -0.0000090700000000 ] - [ 0.0039879200000000, 0.0011638000000000, 0.0004096500000000 ] - [ -0.0012517800000000, 0.0014078900000000, -0.0002191000000000 ] - [ -0.0022766700000000, -0.0002098800000000, 0.0000372100000000 ] - [ -0.0029264100000000, -0.0004059300000000, -0.0001457600000000 ] - [ 0.0034023400000000, 0.0035485200000000, -0.0040087600000000 ] - [ 0.0266679000000000, -0.0029927300000000, -0.0022150100000000 ] - [ -0.0039091400000000, 0.0002755700000000, 0.0000671000000000 ] - [ -0.0038625100000000, 0.0000235900000000, -0.0001686300000000 ] - [ 0.0006124400000000, -0.0056729500000000, 0.0006984200000000 ] - [ -0.0045130700000000, 0.0077808000000000, 0.0022506700000000 ] - [ -0.0033479000000000, -0.0000754400000000, 0.0000882800000000 ] - [ -0.0045552000000000, -0.0002995500000000, 0.0001838900000000 ] - [ 0.0235747200000000, 0.0025371700000000, 0.0036226300000000 ] - [ -0.0045554300000000, 0.0001905300000000, -0.0000192200000000 ] - [ -0.0034537200000000, -0.0003071300000000, -0.0002734600000000 ] - [ -0.0036832800000000, -0.0017775600000000, -0.0008591900000000 ] - [ -0.0025970300000000, 0.0020204200000000, 0.0004825600000000 ]- atom: 22 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026567800000000, -0.0004541900000000, 0.0002591900000000 ] - [ -0.0021380500000000, -0.0007031100000000, 0.0000675800000000 ] - [ -0.0013714100000000, 0.0000264500000000, -0.0000096200000000 ] - [ 0.0019870000000000, -0.0010993000000000, 0.0002983200000000 ] - [ -0.0015382000000000, 0.0003674900000000, 0.0002281300000000 ] - [ -0.0022956900000000, -0.0004066600000000, -0.0003709900000000 ] - [ 0.0001217100000000, -0.0007440200000000, 0.0001794800000000 ] - [ -0.0018079200000000, 0.0002312100000000, -0.0002325000000000 ] - [ -0.0014124200000000, -0.0068336100000000, -0.0026127400000000 ] - [ -0.0016769900000000, -0.0001244800000000, 0.0000954700000000 ] - [ -0.0017541000000000, 0.0003804700000000, 0.0001211000000000 ] - [ -0.0017895300000000, -0.0008405400000000, 0.0002687000000000 ] - [ 0.0016930700000000, -0.0024017000000000, 0.0022579300000000 ] - [ -0.0016000400000000, -0.0001169400000000, 0.0003239700000000 ] - [ -0.0019615800000000, 0.0004364200000000, -0.0002898700000000 ] - [ -0.0015219000000000, -0.0009511500000000, 0.0002099600000000 ] - [ 0.0052969300000000, 0.0006284500000000, -0.0000211600000000 ] - [ -0.0021351100000000, 0.0004928400000000, -0.0000812900000000 ] - [ -0.0016192600000000, -0.0003812200000000, 0.0000933600000000 ] - [ -0.0167271400000000, -0.0165842600000000, -0.0092368600000000 ] - [ -0.0004922000000000, 0.0009566700000000, -0.0001314800000000 ] - [ 0.2973775800000000, -0.0291746400000000, 0.0463859900000000 ] - [ -0.0017345300000000, -0.0004172500000000, -0.0005151900000000 ] - [ 0.0026002700000000, 0.0021653600000000, -0.0005822600000000 ] - [ -0.0027744500000000, 0.0082457900000000, -0.0126358600000000 ] - [ -0.0016381700000000, 0.0002378000000000, -0.0002277900000000 ] - [ -0.0019246400000000, -0.0004074200000000, -0.0002741300000000 ] - [ 0.0045944900000000, 0.0001201100000000, -0.0003028500000000 ] - [ -0.0279643800000000, 0.0154161800000000, 0.0154977000000000 ] - [ -0.0020550400000000, 0.0002226700000000, -0.0002445600000000 ] - [ -0.0017106000000000, -0.0005900600000000, 0.0004322000000000 ] - [ 0.0054718500000000, 0.0015074800000000, 0.0024589300000000 ] - [ -0.0002896400000000, -0.0006672300000000, -0.0008298800000000 ] - [ -0.0022987300000000, 0.0003265000000000, -0.0000030200000000 ] - [ -0.0019645200000000, 0.0007973700000000, -0.0002327600000000 ] - [ -0.0012120100000000, 0.0004305300000000, -0.0000889800000000 ] - [ -0.0022185200000000, 0.0073076100000000, -0.0024035700000000 ] - [ -0.0018893800000000, -0.0001281700000000, 0.0004282800000000 ] - [ -0.0018772800000000, -0.0004780200000000, 0.0004552900000000 ] - [ -0.0017527100000000, 0.0004511500000000, 0.0007354700000000 ] - [ 0.0013123800000000, 0.0029330200000000, -0.0000288900000000 ] - [ -0.0021960000000000, -0.0004748400000000, -0.0001149800000000 ] - [ -0.0018129100000000, -0.0008464800000000, -0.0002667600000000 ] - [ -0.0021282400000000, 0.0007979600000000, -0.0001413200000000 ] - [ 0.0094541300000000, 0.0008553900000000, -0.0009703100000000 ] - [ -0.0022938200000000, 0.0003914100000000, -0.0001262700000000 ] - [ -0.0013920800000000, 0.0000931900000000, 0.0002056600000000 ] - [ -0.0018931500000000, -0.0001020300000000, -0.0000901600000000 ] - [ -0.0114463800000000, -0.0002175800000000, 0.0005519400000000 ] - [ 0.0014770800000000, -0.0001311000000000, 0.0002454900000000 ] - [ 0.0008877400000000, -0.0000525100000000, 0.0001860000000000 ] - [ 0.0008894800000000, -0.0001142900000000, 0.0001799300000000 ] - [ -0.0035092800000000, -0.0015201400000000, 0.0002411800000000 ] - [ 0.0012762400000000, 0.0000758200000000, 0.0002420500000000 ] - [ 0.0009362700000000, 0.0001223900000000, 0.0001636700000000 ] - [ -0.0014826300000000, 0.0021092000000000, -0.0003320400000000 ] - [ 0.0019437600000000, -0.0002983800000000, 0.0003260800000000 ] - [ 0.0013277400000000, 0.0003162800000000, -0.0000035300000000 ] - [ 0.0007755700000000, 0.0003353900000000, 0.0000423000000000 ] - [ -0.0018170800000000, -0.0005599700000000, 0.0001983200000000 ] - [ -0.0004800200000000, 0.0041968200000000, -0.0022823700000000 ] - [ 0.0020369600000000, -0.0000630700000000, -0.0000716300000000 ] - [ 0.0023434700000000, -0.0000908000000000, -0.0001395600000000 ] - [ 0.0028447100000000, 0.0012422500000000, 0.0002454100000000 ] - [ -0.2058473100000000, 0.0210869200000000, -0.0366561900000000 ] - [ 0.0024749100000000, -0.0000414800000000, -0.0000159900000000 ] - [ 0.0022585800000000, 0.0001263800000000, -0.0001132000000000 ] - [ -0.0038007600000000, -0.0012251000000000, -0.0005296600000000 ] - [ 0.0012700700000000, -0.0009401600000000, 0.0001298200000000 ] - [ 0.0022587800000000, -0.0002503600000000, -0.0001265100000000 ] - [ 0.0029440800000000, -0.0000526700000000, 0.0000563500000000 ] - [ -0.0035036200000000, -0.0031212900000000, 0.0039502000000000 ] - [ -0.0266102100000000, 0.0029952000000000, 0.0021476500000000 ] - [ 0.0038107000000000, -0.0003126300000000, -0.0001810400000000 ] - [ 0.0039513500000000, -0.0000597800000000, 0.0000543100000000 ] - [ -0.0006914500000000, 0.0056783500000000, -0.0008065400000000 ] - [ 0.0034548000000000, -0.0075644000000000, -0.0019379900000000 ] - [ 0.0043985700000000, -0.0001079000000000, 0.0002013600000000 ] - [ 0.0034967900000000, 0.0001153500000000, 0.0001059400000000 ] - [ -0.0225146700000000, -0.0024490600000000, -0.0033555800000000 ] - [ 0.0039880300000000, -0.0003134000000000, -0.0003119900000000 ] - [ 0.0040106800000000, 0.0004296100000000, -0.0000566300000000 ] - [ 0.0031104800000000, 0.0019196700000000, 0.0005336200000000 ] - [ 0.0031463200000000, -0.0021557000000000, -0.0008178500000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012718000000000, -0.0017237800000000, 0.0005513600000000 ] - [ -0.0003772000000000, -0.0003983200000000, 0.0000520300000000 ] - [ 0.0003936900000000, 0.0004023600000000, -0.0000616100000000 ] - [ -0.0048896700000000, 0.0099115300000000, -0.0005336200000000 ] - [ 0.0002198600000000, -0.0000117300000000, 0.0000612700000000 ] - [ -0.0003793300000000, -0.0009920600000000, -0.0001908700000000 ] - [ 0.0017217600000000, 0.0026720800000000, 0.0004060600000000 ] - [ -0.0004816000000000, 0.0023032400000000, -0.0004257600000000 ] - [ 0.0074126000000000, 0.0076205000000000, 0.0018283700000000 ] - [ -0.0007633200000000, 0.0004419800000000, 0.0004124600000000 ] - [ -0.0001481900000000, -0.0000005100000000, 0.0000451100000000 ] - [ 0.0010287500000000, -0.0005364800000000, 0.0005886000000000 ] - [ 0.0050425400000000, 0.0061934500000000, 0.0004267600000000 ] - [ -0.0004154500000000, 0.0003600500000000, -0.0001519900000000 ] - [ -0.0002234100000000, 0.0000549900000000, 0.0000341500000000 ] - [ 0.0011127800000000, -0.0008337800000000, -0.0007917400000000 ] - [ -0.0008284000000000, 0.0063368300000000, 0.0006852300000000 ] - [ -0.0004959200000000, 0.0002035100000000, -0.0000084300000000 ] - [ 0.0001632500000000, -0.0000671500000000, 0.0000156800000000 ] - [ 0.0193201400000000, -0.0002021800000000, 0.0058316600000000 ] - [ -0.0006642600000000, 0.0026804700000000, -0.0004815900000000 ] - [ 0.0309988200000000, -0.0856308500000000, -0.0083604600000000 ] - [ -0.0000678800000000, -0.0002357800000000, -0.0003277100000000 ] - [ 0.0018372900000000, 0.0039391400000000, 0.0002626600000000 ] - [ -0.0161302000000000, 0.0004371900000000, -0.0110482500000000 ] - [ -0.0000458900000000, -0.0000950500000000, -0.0002819800000000 ] - [ -0.0002178900000000, -0.0000548200000000, -0.0002158200000000 ] - [ 0.0037450300000000, 0.0041050400000000, -0.0027482900000000 ] - [ -0.0192879400000000, -0.0040257800000000, 0.0075728800000000 ] - [ -0.0003312100000000, -0.0001646700000000, 0.0000909600000000 ] - [ 0.0000846700000000, -0.0001328700000000, 0.0000761400000000 ] - [ 0.0053603000000000, 0.0061513300000000, 0.0058232800000000 ] - [ 0.0001714600000000, -0.0059153000000000, -0.0002770500000000 ] - [ -0.0008935800000000, -0.0007236400000000, -0.0000615500000000 ] - [ -0.0003812000000000, 0.0004411900000000, -0.0001623600000000 ] - [ 0.0002816800000000, 0.0008930800000000, -0.0002417400000000 ] - [ -0.0067842200000000, 0.0022093600000000, -0.0032323900000000 ] - [ 0.0005360900000000, -0.0008528200000000, 0.0007271500000000 ] - [ -0.0001730900000000, -0.0000888700000000, 0.0003390700000000 ] - [ -0.0007387600000000, 0.0006532100000000, 0.0007543700000000 ] - [ -0.0042028200000000, 0.0005504700000000, 0.0015572600000000 ] - [ 0.0004982600000000, -0.0011137000000000, -0.0004111900000000 ] - [ 0.0000620700000000, -0.0003701700000000, -0.0000318900000000 ] - [ -0.0012492700000000, 0.0008580600000000, -0.0005240000000000 ] - [ -0.0005636200000000, -0.0055919400000000, 0.0016863100000000 ] - [ -0.0004478200000000, -0.0001342900000000, 0.0000141000000000 ] - [ 0.0002507400000000, 0.0003051300000000, 0.0000734200000000 ] - [ -0.0002511400000000, -0.0004586900000000, -0.0002615400000000 ] - [ -0.0005272100000000, 0.0036121700000000, 0.0001783100000000 ] - [ 0.0008333200000000, 0.0005327500000000, 0.0002100600000000 ] - [ -0.0000544000000000, -0.0000768600000000, 0.0001904000000000 ] - [ 0.0001304800000000, -0.0004145500000000, 0.0001564400000000 ] - [ 0.0006054300000000, -0.0050572100000000, 0.0004722200000000 ] - [ 0.0003136000000000, 0.0000372300000000, 0.0002121600000000 ] - [ -0.0001204500000000, 0.0001297500000000, 0.0002023800000000 ] - [ -0.0015530700000000, 0.0024640100000000, 0.0002584800000000 ] - [ 0.0001933100000000, 0.0010363000000000, 0.0003655600000000 ] - [ 0.0002584100000000, 0.0003120700000000, 0.0000281900000000 ] - [ -0.0002914800000000, 0.0000895500000000, 0.0000169000000000 ] - [ 0.0004728800000000, -0.0028383300000000, 0.0000630300000000 ] - [ -0.0021549500000000, -0.0106293900000000, -0.0005268400000000 ] - [ 0.0002826600000000, -0.0009670100000000, -0.0000925800000000 ] - [ 0.0001265800000000, 0.0001263700000000, -0.0000963200000000 ] - [ -0.0000372100000000, 0.0024786700000000, 0.0000338600000000 ] - [ -0.0186438800000000, 0.0480153500000000, -0.0022412700000000 ] - [ 0.0002959100000000, 0.0001323900000000, -0.0000739900000000 ] - [ 0.0000815000000000, -0.0000895700000000, -0.0000418700000000 ] - [ -0.0011750000000000, -0.0082573200000000, -0.0015478700000000 ] - [ 0.0004030300000000, -0.0013508000000000, 0.0000462400000000 ] - [ 0.0001496200000000, -0.0004832800000000, -0.0000561400000000 ] - [ 0.0001860100000000, 0.0011385700000000, -0.0000355300000000 ] - [ 0.0042130500000000, 0.0064605300000000, 0.0016090000000000 ] - [ -0.0060756300000000, 0.0080268800000000, 0.0001768100000000 ] - [ 0.0006871600000000, 0.0001049300000000, -0.0000566000000000 ] - [ 0.0003806000000000, -0.0000566300000000, -0.0000478400000000 ] - [ -0.0049580000000000, -0.0042440000000000, 0.0002930000000000 ] - [ 0.0052127500000000, -0.0059782900000000, 0.0002074400000000 ] - [ 0.0007823600000000, -0.0001248100000000, 0.0001507200000000 ] - [ -0.0006432200000000, 0.0000123300000000, 0.0001367900000000 ] - [ 0.0021936600000000, 0.0189265700000000, 0.0020380500000000 ] - [ 0.0008306500000000, 0.0003195200000000, -0.0002644300000000 ] - [ -0.0002492800000000, 0.0001329400000000, -0.0000714600000000 ] - [ -0.0042522700000000, 0.0006277300000000, -0.0007266700000000 ] - [ 0.0045663700000000, -0.0035174800000000, -0.0002511700000000 ]- atom: 22 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017952400000000, 0.0021875800000000, -0.0004776600000000 ] - [ -0.0001673500000000, -0.0000771100000000, 0.0000206400000000 ] - [ 0.0001376500000000, -0.0008698600000000, 0.0001331900000000 ] - [ 0.0042851500000000, -0.0093586000000000, 0.0005880200000000 ] - [ 0.0006062100000000, 0.0006349600000000, -0.0001459700000000 ] - [ -0.0004620500000000, 0.0003665200000000, 0.0001039800000000 ] - [ -0.0008946400000000, -0.0032829700000000, -0.0004841600000000 ] - [ -0.0003604500000000, -0.0016751000000000, 0.0003373000000000 ] - [ -0.0072861800000000, -0.0077221200000000, -0.0016823600000000 ] - [ 0.0005752800000000, -0.0003382200000000, -0.0002215700000000 ] - [ 0.0003221200000000, 0.0001075100000000, 0.0001464600000000 ] - [ -0.0012083300000000, 0.0004240100000000, -0.0003932500000000 ] - [ -0.0050787800000000, -0.0063494800000000, -0.0003461100000000 ] - [ 0.0004395900000000, -0.0001971600000000, 0.0001982100000000 ] - [ 0.0001851900000000, 0.0001098200000000, 0.0000101900000000 ] - [ -0.0010793700000000, 0.0006609300000000, 0.0008330900000000 ] - [ 0.0014485300000000, -0.0063989200000000, -0.0006836900000000 ] - [ -0.0001109600000000, -0.0001006800000000, 0.0000124600000000 ] - [ 0.0004333900000000, 0.0001681000000000, -0.0000116400000000 ] - [ -0.0198425200000000, -0.0000023000000000, -0.0058057100000000 ] - [ -0.0000915900000000, -0.0031174700000000, 0.0005850800000000 ] - [ -0.0302253100000000, 0.0838688000000000, 0.0077008200000000 ] - [ 0.0001717400000000, -0.0003524500000000, -0.0002799900000000 ] - [ -0.0019128900000000, -0.0033226100000000, -0.0008675500000000 ] - [ 0.0158862400000000, -0.0001879400000000, 0.0105683400000000 ] - [ 0.0003054700000000, -0.0000656100000000, -0.0002184400000000 ] - [ -0.0000534000000000, -0.0001070600000000, -0.0002849700000000 ] - [ -0.0034251700000000, -0.0039278000000000, 0.0022230300000000 ] - [ 0.0195202200000000, 0.0045416800000000, -0.0073571400000000 ] - [ 0.0000035700000000, -0.0001627800000000, 0.0000996900000000 ] - [ 0.0002314800000000, -0.0001956700000000, 0.0001158500000000 ] - [ -0.0055888100000000, -0.0057775200000000, -0.0055621000000000 ] - [ -0.0003588300000000, 0.0054963800000000, -0.0000411700000000 ] - [ 0.0010934500000000, 0.0011220700000000, -0.0002495000000000 ] - [ 0.0001716900000000, -0.0000341000000000, -0.0001491100000000 ] - [ -0.0000785600000000, -0.0012915800000000, -0.0000696800000000 ] - [ 0.0064582300000000, -0.0018856600000000, 0.0039466300000000 ] - [ -0.0002620200000000, 0.0005256800000000, 0.0000373400000000 ] - [ -0.0001078900000000, -0.0002415400000000, 0.0004241100000000 ] - [ 0.0010043600000000, -0.0003190000000000, 0.0000114700000000 ] - [ 0.0042962300000000, 0.0003385600000000, -0.0016884300000000 ] - [ -0.0006234900000000, 0.0001988500000000, 0.0002444600000000 ] - [ 0.0000569000000000, -0.0005452000000000, -0.0001327200000000 ] - [ 0.0011133800000000, 0.0000608300000000, 0.0003591900000000 ] - [ 0.0013567600000000, 0.0050344400000000, -0.0015766200000000 ] - [ -0.0003139700000000, 0.0005926100000000, 0.0000910200000000 ] - [ 0.0005074500000000, 0.0001543800000000, 0.0000311300000000 ] - [ 0.0001379000000000, -0.0001291100000000, -0.0003446700000000 ] - [ 0.0001011400000000, -0.0036732600000000, 0.0001884100000000 ] - [ -0.0004110900000000, -0.0004612500000000, 0.0001586300000000 ] - [ -0.0003600200000000, 0.0001447200000000, 0.0001786700000000 ] - [ 0.0002881500000000, 0.0003466300000000, 0.0002121500000000 ] - [ -0.0010448800000000, 0.0048599200000000, -0.0000698100000000 ] - [ 0.0001013500000000, 0.0001585300000000, 0.0001983700000000 ] - [ -0.0002859400000000, 0.0000666900000000, 0.0002075400000000 ] - [ 0.0019655300000000, -0.0026297200000000, 0.0001487100000000 ] - [ -0.0005669300000000, -0.0015688900000000, -0.0003043000000000 ] - [ 0.0001351700000000, 0.0002272000000000, 0.0000300000000000 ] - [ -0.0000916600000000, 0.0004472000000000, 0.0000419900000000 ] - [ -0.0000828500000000, 0.0022939400000000, -0.0000054700000000 ] - [ 0.0019946500000000, 0.0106643800000000, 0.0003329800000000 ] - [ -0.0000941600000000, 0.0008880900000000, -0.0000846100000000 ] - [ -0.0002957400000000, -0.0002033500000000, -0.0000824300000000 ] - [ 0.0002237000000000, -0.0023862400000000, -0.0002099900000000 ] - [ 0.0179686000000000, -0.0477392800000000, 0.0020230600000000 ] - [ -0.0001369300000000, -0.0000544200000000, -0.0000461300000000 ] - [ -0.0002251300000000, 0.0001665000000000, -0.0000778000000000 ] - [ 0.0012952400000000, 0.0081336100000000, 0.0014121100000000 ] - [ -0.0004025900000000, 0.0018022500000000, -0.0001335300000000 ] - [ -0.0001404100000000, 0.0000205400000000, -0.0000323400000000 ] - [ -0.0001859400000000, -0.0015978000000000, -0.0000526000000000 ] - [ -0.0042730900000000, -0.0059293000000000, -0.0016992100000000 ] - [ 0.0060955500000000, -0.0081866000000000, -0.0005143100000000 ] - [ -0.0007893700000000, -0.0001382700000000, -0.0000579600000000 ] - [ -0.0002506500000000, 0.0000188500000000, -0.0000656100000000 ] - [ 0.0048032500000000, 0.0043114700000000, -0.0004091900000000 ] - [ -0.0062586300000000, 0.0061025800000000, 0.0000753200000000 ] - [ 0.0003107300000000, -0.0000586400000000, 0.0001428600000000 ] - [ -0.0004262500000000, -0.0001989800000000, 0.0001563300000000 ] - [ -0.0011425000000000, -0.0168110700000000, -0.0013954700000000 ] - [ -0.0013741100000000, -0.0004343200000000, -0.0000692400000000 ] - [ 0.0008194500000000, -0.0000149700000000, -0.0002600300000000 ] - [ 0.0036946400000000, -0.0005325500000000, 0.0003954400000000 ] - [ -0.0039691900000000, 0.0034076800000000, -0.0000800500000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002423900000000, -0.0000411800000000, 0.0006723700000000 ] - [ -0.0000447000000000, -0.0002072000000000, 0.0000363800000000 ] - [ 0.0005202000000000, -0.0002042400000000, 0.0000241300000000 ] - [ -0.0017452800000000, 0.0024205000000000, -0.0001953300000000 ] - [ 0.0006058200000000, 0.0002336500000000, -0.0000498000000000 ] - [ -0.0001452600000000, -0.0004504800000000, -0.0000380300000000 ] - [ 0.0008256900000000, 0.0003856600000000, -0.0000846100000000 ] - [ -0.0002122000000000, 0.0005422800000000, -0.0000180800000000 ] - [ 0.0025117400000000, 0.0030006800000000, -0.0008176000000000 ] - [ 0.0000636100000000, 0.0001514700000000, 0.0001187800000000 ] - [ 0.0002869000000000, 0.0000007500000000, 0.0000796300000000 ] - [ 0.0003958300000000, -0.0000568200000000, 0.0002286500000000 ] - [ 0.0016226100000000, 0.0005885700000000, 0.0035372300000000 ] - [ 0.0001860300000000, 0.0001580800000000, -0.0000527700000000 ] - [ 0.0001934000000000, 0.0000306600000000, 0.0000637700000000 ] - [ 0.0004871900000000, -0.0001904200000000, -0.0003502400000000 ] - [ -0.0014075900000000, 0.0021827800000000, 0.0006190700000000 ] - [ -0.0000851500000000, 0.0000168300000000, 0.0000131400000000 ] - [ 0.0005242200000000, 0.0000923400000000, -0.0000083100000000 ] - [ 0.0102616900000000, 0.0061816300000000, -0.0035988800000000 ] - [ -0.0003740700000000, 0.0003780200000000, -0.0003606700000000 ] - [ -0.0486277100000000, -0.0075138400000000, -0.0751232100000000 ] - [ 0.0002730700000000, -0.0002666300000000, -0.0002773100000000 ] - [ -0.0003410000000000, 0.0008520600000000, -0.0001188300000000 ] - [ 0.0147219600000000, -0.0109685500000000, 0.0109820500000000 ] - [ 0.0003360500000000, -0.0001211500000000, -0.0002572700000000 ] - [ 0.0000821300000000, -0.0000397200000000, -0.0002441100000000 ] - [ 0.0000981900000000, 0.0007129700000000, -0.0009649200000000 ] - [ -0.0210333800000000, 0.0082897900000000, 0.0019765700000000 ] - [ 0.0000561400000000, -0.0002130100000000, 0.0001388900000000 ] - [ 0.0003897600000000, -0.0001105700000000, 0.0000503700000000 ] - [ -0.0006579000000000, 0.0008408900000000, 0.0007051300000000 ] - [ 0.0006982700000000, -0.0012808800000000, 0.0025335900000000 ] - [ 0.0001894200000000, 0.0001437000000000, -0.0001868000000000 ] - [ 0.0000860200000000, 0.0001844000000000, -0.0001464600000000 ] - [ 0.0003877800000000, -0.0000584600000000, -0.0001913400000000 ] - [ 0.0000415900000000, -0.0021988800000000, 0.0011756300000000 ] - [ 0.0004526800000000, -0.0002848500000000, 0.0004798700000000 ] - [ 0.0000902600000000, -0.0001149300000000, 0.0003706100000000 ] - [ 0.0000791000000000, 0.0001565000000000, 0.0006038400000000 ] - [ -0.0006029700000000, 0.0005057300000000, 0.0007958600000000 ] - [ 0.0002505400000000, -0.0005877200000000, -0.0001269800000000 ] - [ 0.0003170100000000, -0.0003895800000000, -0.0000470500000000 ] - [ 0.0002282100000000, 0.0007372400000000, 0.0000774500000000 ] - [ -0.0002002100000000, -0.0001593000000000, 0.0233028700000000 ] - [ -0.0001520800000000, 0.0001574600000000, 0.0000732200000000 ] - [ 0.0005844600000000, 0.0002626800000000, 0.0000361100000000 ] - [ 0.0001488500000000, -0.0003312600000000, -0.0003227400000000 ] - [ -0.0001135700000000, 0.0002531100000000, 0.0017867000000000 ] - [ 0.0001186700000000, 0.0001040300000000, 0.0001585500000000 ] - [ -0.0003327800000000, 0.0000212700000000, 0.0001841500000000 ] - [ 0.0001218300000000, -0.0001023100000000, 0.0001818900000000 ] - [ 0.0002263300000000, 0.0001084100000000, 0.0009112000000000 ] - [ 0.0000777200000000, 0.0000934100000000, 0.0002016400000000 ] - [ -0.0003346000000000, 0.0001017400000000, 0.0002103300000000 ] - [ 0.0012658000000000, 0.0007144300000000, -0.0015812400000000 ] - [ -0.0003730200000000, 0.0001342300000000, 0.0005551200000000 ] - [ 0.0000573100000000, 0.0002733800000000, 0.0000338200000000 ] - [ -0.0003479000000000, 0.0002495900000000, 0.0000241900000000 ] - [ 0.0004454800000000, -0.0006195400000000, -0.0001047900000000 ] - [ 0.0004765400000000, -0.0017585000000000, 0.0010850800000000 ] - [ -0.0001864800000000, -0.0001598800000000, -0.0000893600000000 ] - [ -0.0003578800000000, -0.0000049100000000, -0.0000907800000000 ] - [ -0.0001713300000000, 0.0005285200000000, -0.0001228300000000 ] - [ 0.0370108900000000, -0.0022718300000000, 0.0428168000000000 ] - [ -0.0001937000000000, 0.0000579000000000, -0.0000688600000000 ] - [ -0.0003596900000000, 0.0000134100000000, -0.0000520100000000 ] - [ 0.0005776600000000, -0.0015967500000000, -0.0004300600000000 ] - [ -0.0002040800000000, -0.0000366300000000, -0.0000646000000000 ] - [ -0.0002789900000000, -0.0002829200000000, -0.0000346000000000 ] - [ -0.0002488000000000, -0.0000345900000000, -0.0000698500000000 ] - [ 0.0010533600000000, 0.0019550800000000, -0.0036464200000000 ] - [ -0.0017132700000000, 0.0018011300000000, -0.0074779800000000 ] - [ -0.0004385900000000, -0.0000031300000000, -0.0000469700000000 ] - [ -0.0003972300000000, -0.0000213300000000, -0.0000681300000000 ] - [ -0.0008543200000000, -0.0022325900000000, 0.0001737500000000 ] - [ -0.0000946600000000, -0.0010854800000000, -0.0041275300000000 ] - [ 0.0000608200000000, -0.0000935200000000, 0.0001388400000000 ] - [ -0.0010407200000000, -0.0000847500000000, 0.0001551700000000 ] - [ 0.0057557300000000, 0.0007928900000000, 0.0050025800000000 ] - [ -0.0005793100000000, 0.0000152500000000, -0.0001500700000000 ] - [ -0.0003427500000000, 0.0000620900000000, -0.0001582900000000 ] - [ -0.0012890400000000, -0.0000234300000000, -0.0006875600000000 ] - [ 0.0003952900000000, -0.0002854300000000, 0.0003382400000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002782500000000, 0.0005056100000000, -0.0006031000000000 ] - [ -0.0004942200000000, -0.0002579800000000, 0.0000333700000000 ] - [ 0.0000044200000000, -0.0002554100000000, 0.0000440200000000 ] - [ 0.0012342500000000, -0.0019904400000000, 0.0002657700000000 ] - [ 0.0002296300000000, 0.0003886300000000, -0.0000395400000000 ] - [ -0.0007072300000000, -0.0001670000000000, -0.0000523600000000 ] - [ 0.0000138300000000, -0.0010178900000000, -0.0000119500000000 ] - [ -0.0006317600000000, 0.0000731700000000, -0.0000701900000000 ] - [ -0.0023387000000000, -0.0030956300000000, 0.0010189100000000 ] - [ -0.0002485100000000, -0.0000581900000000, 0.0000621500000000 ] - [ -0.0001097100000000, 0.0000991900000000, 0.0001058800000000 ] - [ -0.0005866600000000, -0.0000450200000000, -0.0000425300000000 ] - [ -0.0017249800000000, -0.0008166000000000, -0.0035530600000000 ] - [ -0.0001571000000000, 0.0000011200000000, 0.0000979600000000 ] - [ -0.0002306700000000, 0.0001310400000000, -0.0000211900000000 ] - [ -0.0004585200000000, 0.0000259500000000, 0.0003914700000000 ] - [ 0.0020468300000000, -0.0023255400000000, -0.0006081900000000 ] - [ -0.0005183300000000, 0.0000851200000000, -0.0000076700000000 ] - [ 0.0000743500000000, 0.0000146900000000, 0.0000120400000000 ] - [ -0.0109228400000000, -0.0063216400000000, 0.0034802200000000 ] - [ -0.0003594400000000, -0.0008401700000000, 0.0004696800000000 ] - [ 0.0485699100000000, 0.0085477900000000, 0.0758208000000000 ] - [ -0.0001565000000000, -0.0003193700000000, -0.0003250200000000 ] - [ 0.0002256700000000, -0.0002732000000000, -0.0004872700000000 ] - [ -0.0147851400000000, 0.0110281600000000, -0.0114993500000000 ] - [ -0.0000758100000000, -0.0000390000000000, -0.0002426800000000 ] - [ -0.0003539300000000, -0.0001233000000000, -0.0002581300000000 ] - [ 0.0001787800000000, -0.0005629200000000, 0.0004747800000000 ] - [ 0.0213878400000000, -0.0079583400000000, -0.0016803200000000 ] - [ -0.0003849000000000, -0.0001129600000000, 0.0000507300000000 ] - [ -0.0000723600000000, -0.0002169900000000, 0.0001419100000000 ] - [ 0.0003278600000000, -0.0005336000000000, -0.0005429100000000 ] - [ -0.0009506000000000, 0.0008766000000000, -0.0028560000000000 ] - [ 0.0000140900000000, 0.0002770200000000, -0.0001251000000000 ] - [ -0.0002950000000000, 0.0002337000000000, -0.0001658500000000 ] - [ -0.0001842200000000, -0.0003632000000000, -0.0001204800000000 ] - [ -0.0003294400000000, 0.0025702200000000, -0.0003664000000000 ] - [ -0.0001819900000000, -0.0000560900000000, 0.0003035400000000 ] - [ -0.0003727000000000, -0.0002284000000000, 0.0004123600000000 ] - [ 0.0001940300000000, 0.0001833800000000, 0.0001760000000000 ] - [ 0.0007334900000000, 0.0004249200000000, -0.0009800200000000 ] - [ -0.0003841500000000, -0.0003294100000000, -0.0000390700000000 ] - [ -0.0001942800000000, -0.0005265200000000, -0.0001173800000000 ] - [ -0.0003596600000000, 0.0001753500000000, -0.0002363400000000 ] - [ 0.0009324500000000, -0.0000976300000000, -0.0231944300000000 ] - [ -0.0005869500000000, 0.0003017100000000, 0.0000346600000000 ] - [ 0.0001552000000000, 0.0001951300000000, 0.0000700500000000 ] - [ -0.0002731000000000, -0.0002528400000000, -0.0002788800000000 ] - [ -0.0002887100000000, -0.0003257000000000, -0.0014212900000000 ] - [ 0.0003087600000000, -0.0000401500000000, 0.0002102800000000 ] - [ -0.0000888000000000, 0.0000464500000000, 0.0001854100000000 ] - [ 0.0003032400000000, 0.0000380000000000, 0.0001867200000000 ] - [ -0.0006446000000000, -0.0003079800000000, -0.0004957900000000 ] - [ 0.0003378500000000, 0.0001044600000000, 0.0002091400000000 ] - [ -0.0000695600000000, 0.0000980500000000, 0.0002010300000000 ] - [ -0.0008770200000000, -0.0009146300000000, 0.0019930700000000 ] - [ -0.0000028000000000, -0.0006761600000000, -0.0004959500000000 ] - [ 0.0003344800000000, 0.0002650300000000, 0.0000243000000000 ] - [ -0.0000349200000000, 0.0002871900000000, 0.0000344800000000 ] - [ -0.0000621500000000, 0.0000875900000000, 0.0001614700000000 ] - [ -0.0006698800000000, 0.0018649800000000, -0.0012267500000000 ] - [ 0.0003821400000000, 0.0000811700000000, -0.0000875900000000 ] - [ 0.0001755800000000, -0.0000765400000000, -0.0000876700000000 ] - [ 0.0003725200000000, -0.0004468900000000, -0.0000524100000000 ] - [ -0.0371296900000000, 0.0021232100000000, -0.0433487200000000 ] - [ 0.0003628900000000, 0.0000158800000000, -0.0000536300000000 ] - [ 0.0002053200000000, 0.0000625400000000, -0.0000703300000000 ] - [ -0.0004312300000000, 0.0015527400000000, 0.0003203900000000 ] - [ 0.0002190300000000, 0.0005006300000000, -0.0000243200000000 ] - [ 0.0002702000000000, -0.0001767600000000, -0.0000550500000000 ] - [ 0.0002690700000000, -0.0004298400000000, -0.0000188800000000 ] - [ -0.0010152500000000, -0.0015449000000000, 0.0035576700000000 ] - [ 0.0018309100000000, -0.0021431500000000, 0.0065368600000000 ] - [ 0.0003554700000000, -0.0000308200000000, -0.0000671300000000 ] - [ 0.0005031500000000, -0.0000144500000000, -0.0000451900000000 ] - [ 0.0007725400000000, 0.0023098900000000, -0.0002949300000000 ] - [ -0.0009682800000000, 0.0012465200000000, 0.0044002100000000 ] - [ 0.0010080400000000, -0.0000894600000000, 0.0001512300000000 ] - [ -0.0000014400000000, -0.0001010100000000, 0.0001342400000000 ] - [ -0.0047624000000000, -0.0005645200000000, -0.0047313100000000 ] - [ 0.0000294600000000, -0.0001414300000000, -0.0001806700000000 ] - [ 0.0009184000000000, 0.0000627800000000, -0.0001717300000000 ] - [ 0.0007531900000000, 0.0001561000000000, 0.0003509800000000 ] - [ 0.0001629900000000, 0.0001679300000000, -0.0006689700000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0052543700000000, 0.0045410500000000, 0.0027561900000000 ] - [ 0.0014983300000000, 0.0004017000000000, -0.0000080200000000 ] - [ 0.0021459000000000, -0.0004261900000000, 0.0000249200000000 ] - [ -0.0011828700000000, 0.0021636300000000, 0.0003531100000000 ] - [ 0.0022977000000000, 0.0007397600000000, -0.0004053300000000 ] - [ 0.0013064800000000, 0.0009115200000000, 0.0004597600000000 ] - [ 0.0025699000000000, 0.0010722900000000, -0.0001374600000000 ] - [ 0.0011364600000000, 0.0009847800000000, 0.0000493700000000 ] - [ 0.0045529000000000, 0.0043732200000000, -0.0021401500000000 ] - [ 0.0015089800000000, 0.0004672600000000, 0.0001858200000000 ] - [ 0.0020619200000000, -0.0001652200000000, 0.0001424600000000 ] - [ -0.0000004900000000, 0.0011543600000000, -0.0005294400000000 ] - [ 0.0048871600000000, 0.0035090400000000, 0.0001468900000000 ] - [ 0.0017332000000000, 0.0004863100000000, -0.0003368400000000 ] - [ 0.0019884300000000, -0.0001928100000000, 0.0002690900000000 ] - [ -0.0004937800000000, 0.0011260600000000, 0.0009121800000000 ] - [ -0.0084148000000000, 0.0035517400000000, -0.0008577400000000 ] - [ 0.0015327900000000, -0.0003678000000000, 0.0000941100000000 ] - [ 0.0022007500000000, 0.0004957900000000, -0.0000887900000000 ] - [ -0.0116127000000000, 0.0074512300000000, -0.0035664400000000 ] - [ -0.0005862200000000, -0.0060370600000000, 0.0000658500000000 ] - [ 0.0026789800000000, -0.0156377900000000, 0.0143856500000000 ] - [ 0.0018559500000000, -0.0002114600000000, -0.0000828000000000 ] - [ -0.0045510800000000, -0.0033057400000000, -0.0002633800000000 ] - [ -0.0801243700000000, 0.0303302800000000, -0.0233924200000000 ] - [ 0.0018533700000000, -0.0003666700000000, -0.0002652500000000 ] - [ 0.0016613000000000, 0.0002137400000000, -0.0002374300000000 ] - [ -0.0043313800000000, -0.0005230200000000, -0.0002898800000000 ] - [ -0.0156382500000000, 0.0040168100000000, -0.0040999200000000 ] - [ 0.0016635200000000, -0.0005208800000000, 0.0004183000000000 ] - [ 0.0020479400000000, 0.0002248500000000, -0.0002418800000000 ] - [ -0.0051952100000000, -0.0008210800000000, -0.0009340800000000 ] - [ 0.0020152300000000, -0.0013080500000000, 0.0002918200000000 ] - [ 0.0017653200000000, 0.0003630400000000, -0.0002418500000000 ] - [ 0.0019688900000000, -0.0006272100000000, -0.0000531800000000 ] - [ 0.0010195700000000, -0.0022780700000000, -0.0001559400000000 ] - [ 0.0008611200000000, -0.0015583800000000, -0.0003335800000000 ] - [ 0.0020950400000000, -0.0006092700000000, 0.0005686700000000 ] - [ 0.0014330300000000, -0.0000238800000000, 0.0004172100000000 ] - [ 0.0029950900000000, -0.0013132700000000, 0.0001554700000000 ] - [ 0.0004631800000000, -0.0007225900000000, 0.0008708000000000 ] - [ 0.0020682500000000, -0.0010022400000000, -0.0004117800000000 ] - [ 0.0017101800000000, -0.0002523200000000, -0.0000040500000000 ] - [ 0.0040828900000000, 0.0003421200000000, 0.0012722500000000 ] - [ 0.0009298900000000, -0.0056994900000000, 0.0003727600000000 ] - [ 0.0014397900000000, -0.0000278900000000, 0.0002050500000000 ] - [ 0.0021050200000000, 0.0002630700000000, -0.0001094300000000 ] - [ 0.0017096600000000, -0.0004686200000000, -0.0005070600000000 ] - [ -0.0021905000000000, 0.0004740200000000, 0.0003471600000000 ] - [ -0.0008187200000000, 0.0001714200000000, 0.0001665200000000 ] - [ -0.0014283900000000, 0.0002665900000000, 0.0001834900000000 ] - [ -0.0002955500000000, 0.0006445100000000, 0.0002029400000000 ] - [ 0.0052615900000000, -0.0008803100000000, 0.0000533500000000 ] - [ -0.0008821100000000, 0.0001091300000000, 0.0001694600000000 ] - [ -0.0013299100000000, 0.0000657100000000, 0.0002464500000000 ] - [ 0.0040840000000000, -0.0016264400000000, -0.0004925700000000 ] - [ -0.0027365000000000, -0.0026009900000000, 0.0018633400000000 ] - [ -0.0008904400000000, 0.0001786700000000, 0.0000596300000000 ] - [ -0.0013398400000000, 0.0002390900000000, -0.0000075700000000 ] - [ 0.0012448200000000, -0.0008027700000000, 0.0001168700000000 ] - [ -0.0016363400000000, -0.0045566300000000, -0.0007986300000000 ] - [ -0.0021054900000000, -0.0003456600000000, -0.0000777900000000 ] - [ -0.0024976200000000, -0.0002401900000000, -0.0000538700000000 ] - [ -0.0015386900000000, -0.0045369700000000, -0.0007794600000000 ] - [ 0.0504299000000000, -0.0190414100000000, 0.0201973400000000 ] - [ -0.0022483900000000, 0.0000728400000000, -0.0001084300000000 ] - [ -0.0024275100000000, -0.0000233800000000, -0.0000062100000000 ] - [ 0.0074146500000000, -0.0001208700000000, -0.0005237300000000 ] - [ -0.0020066900000000, 0.0035228400000000, 0.0001638700000000 ] - [ -0.0022398200000000, 0.0001559100000000, 0.0000451700000000 ] - [ -0.0023323900000000, 0.0001557900000000, -0.0001364000000000 ] - [ -0.0023412100000000, 0.0027708200000000, -0.0007761100000000 ] - [ 0.0225891900000000, -0.0051492200000000, -0.0083735900000000 ] - [ -0.0037277800000000, 0.0000426900000000, 0.0000512700000000 ] - [ -0.0039381200000000, 0.0000740300000000, -0.0001641100000000 ] - [ 0.0047324400000000, 0.0018856200000000, -0.0000072100000000 ] - [ 0.0146750800000000, -0.0008562500000000, 0.0029100100000000 ] - [ -0.0031706700000000, -0.0000721800000000, 0.0000878000000000 ] - [ -0.0045501200000000, -0.0001158600000000, 0.0001945100000000 ] - [ 0.0085707300000000, 0.0067405800000000, 0.0009904400000000 ] - [ -0.0056534800000000, -0.0005256700000000, 0.0000795500000000 ] - [ -0.0021278600000000, -0.0002585200000000, -0.0003440700000000 ] - [ -0.0053917100000000, -0.0001214800000000, -0.0001076500000000 ] - [ -0.0021238900000000, -0.0004121000000000, -0.0000954100000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0046891300000000, -0.0040302200000000, -0.0026491100000000 ] - [ -0.0020341400000000, -0.0008651600000000, 0.0000789100000000 ] - [ -0.0016144000000000, -0.0000365700000000, 0.0000449500000000 ] - [ 0.0006594500000000, -0.0017144400000000, -0.0002827200000000 ] - [ -0.0014540200000000, -0.0001129000000000, 0.0003144100000000 ] - [ -0.0021550000000000, -0.0015194000000000, -0.0005463900000000 ] - [ -0.0017235500000000, -0.0017018400000000, 0.0000469700000000 ] - [ -0.0019801700000000, -0.0003683100000000, -0.0001373200000000 ] - [ -0.0044045500000000, -0.0044852800000000, 0.0023280500000000 ] - [ -0.0016889300000000, -0.0003719500000000, -0.0000026500000000 ] - [ -0.0018789300000000, 0.0002657800000000, 0.0000456900000000 ] - [ -0.0001953000000000, -0.0012476900000000, 0.0007134500000000 ] - [ -0.0049654500000000, -0.0037051200000000, -0.0001126400000000 ] - [ -0.0016991600000000, -0.0003249400000000, 0.0003806000000000 ] - [ -0.0020197600000000, 0.0003553800000000, -0.0002264700000000 ] - [ 0.0005078200000000, -0.0012838200000000, -0.0008623100000000 ] - [ 0.0090142100000000, -0.0036539200000000, 0.0008542500000000 ] - [ -0.0021329100000000, 0.0004695700000000, -0.0000890900000000 ] - [ -0.0015951600000000, -0.0003860500000000, 0.0000914200000000 ] - [ 0.0109612100000000, -0.0077405900000000, 0.0036566700000000 ] - [ -0.0001753300000000, 0.0055339700000000, 0.0000600000000000 ] - [ -0.0026027600000000, 0.0163787900000000, -0.0151207100000000 ] - [ -0.0017324700000000, -0.0003752900000000, -0.0005188300000000 ] - [ 0.0044070500000000, 0.0038635100000000, -0.0003441200000000 ] - [ 0.0799915700000000, -0.0293269800000000, 0.0210194500000000 ] - [ -0.0015882000000000, 0.0002036100000000, -0.0002370100000000 ] - [ -0.0019283300000000, -0.0003772200000000, -0.0002669300000000 ] - [ 0.0045935900000000, 0.0006697700000000, -0.0002036800000000 ] - [ 0.0158843200000000, -0.0036986200000000, 0.0044528400000000 ] - [ -0.0019868700000000, 0.0001929100000000, -0.0002262400000000 ] - [ -0.0017259400000000, -0.0005519100000000, 0.0004343800000000 ] - [ 0.0048684200000000, 0.0011384700000000, 0.0011179800000000 ] - [ -0.0022246200000000, 0.0009043900000000, -0.0006074200000000 ] - [ -0.0015583800000000, 0.0000568300000000, -0.0000714100000000 ] - [ -0.0021695900000000, 0.0010398700000000, -0.0002598900000000 ] - [ -0.0008234200000000, 0.0018458400000000, -0.0001589600000000 ] - [ -0.0011269300000000, 0.0018991800000000, 0.0011149100000000 ] - [ -0.0018196900000000, 0.0002704000000000, 0.0002125700000000 ] - [ -0.0017107400000000, -0.0003177800000000, 0.0003635900000000 ] - [ -0.0027001400000000, 0.0016334700000000, 0.0006155700000000 ] - [ -0.0003232100000000, 0.0016367400000000, -0.0010369200000000 ] - [ -0.0021971700000000, 0.0000855700000000, 0.0002439700000000 ] - [ -0.0015832500000000, -0.0006631900000000, -0.0001614700000000 ] - [ -0.0041981900000000, 0.0005684700000000, -0.0014246100000000 ] - [ -0.0001657400000000, 0.0052736100000000, -0.0002709000000000 ] - [ -0.0021738400000000, 0.0004870600000000, -0.0000975200000000 ] - [ -0.0013615200000000, 0.0001949100000000, 0.0002141500000000 ] - [ -0.0018315700000000, -0.0001168800000000, -0.0000951700000000 ] - [ 0.0017630300000000, -0.0005463200000000, 0.0000207900000000 ] - [ 0.0012385600000000, -0.0001063200000000, 0.0002024000000000 ] - [ 0.0010030200000000, -0.0001984400000000, 0.0001860000000000 ] - [ 0.0007177300000000, -0.0007027600000000, 0.0001656000000000 ] - [ -0.0056868000000000, 0.0006392000000000, 0.0003409100000000 ] - [ 0.0012933400000000, 0.0000884000000000, 0.0002408000000000 ] - [ 0.0009158900000000, 0.0001311200000000, 0.0001636800000000 ] - [ -0.0036563100000000, 0.0014602400000000, 0.0009167300000000 ] - [ 0.0023573300000000, 0.0020407800000000, -0.0017894500000000 ] - [ 0.0012760900000000, 0.0003615500000000, -0.0000017200000000 ] - [ 0.0009529200000000, 0.0002997500000000, 0.0000657900000000 ] - [ -0.0008666200000000, 0.0002683000000000, -0.0000596200000000 ] - [ 0.0014421000000000, 0.0046588600000000, 0.0006343000000000 ] - [ 0.0022936500000000, 0.0002674700000000, -0.0000971300000000 ] - [ 0.0023048200000000, 0.0001577700000000, -0.0001225200000000 ] - [ 0.0017386800000000, 0.0045863900000000, 0.0006002100000000 ] - [ -0.0501990400000000, 0.0185641000000000, -0.0198550000000000 ] - [ 0.0024087600000000, -0.0000001000000000, -0.0000152700000000 ] - [ 0.0022630100000000, 0.0000989100000000, -0.0001172800000000 ] - [ -0.0072163900000000, 0.0000539200000000, 0.0003966000000000 ] - [ 0.0020212200000000, -0.0030295500000000, -0.0002420100000000 ] - [ 0.0022245100000000, -0.0006120200000000, -0.0001371700000000 ] - [ 0.0023411100000000, -0.0006187800000000, 0.0000441800000000 ] - [ 0.0023124900000000, -0.0023220600000000, 0.0006872300000000 ] - [ -0.0232417400000000, 0.0051425100000000, 0.0090532400000000 ] - [ 0.0036288200000000, -0.0000762900000000, -0.0001647700000000 ] - [ 0.0040304400000000, -0.0001096600000000, 0.0000506100000000 ] - [ -0.0047734800000000, -0.0017818900000000, -0.0001072200000000 ] - [ -0.0152661300000000, 0.0006937000000000, -0.0021915700000000 ] - [ 0.0042277200000000, -0.0001111100000000, 0.0002028100000000 ] - [ 0.0034908000000000, -0.0000707900000000, 0.0000964400000000 ] - [ -0.0075757700000000, -0.0065325900000000, -0.0007028000000000 ] - [ 0.0050754900000000, 0.0003956300000000, -0.0004125200000000 ] - [ 0.0026993700000000, 0.0003788900000000, 0.0000133400000000 ] - [ 0.0048386700000000, 0.0002411300000000, -0.0002228800000000 ] - [ 0.0026735700000000, 0.0002980300000000, -0.0002370000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024872300000000, -0.0020417900000000, 0.0010721100000000 ] - [ -0.0004205700000000, -0.0004354500000000, 0.0000653700000000 ] - [ 0.0000941400000000, -0.0000688300000000, 0.0000212700000000 ] - [ 0.0002377800000000, 0.0023001800000000, 0.0000661400000000 ] - [ 0.0004341700000000, -0.0002639900000000, 0.0000209200000000 ] - [ 0.0003849400000000, -0.0007561300000000, -0.0000196500000000 ] - [ 0.0009808400000000, 0.0002167000000000, 0.0003401700000000 ] - [ -0.0005207300000000, 0.0007195700000000, -0.0001450700000000 ] - [ 0.0000222400000000, -0.0009596000000000, 0.0007035300000000 ] - [ -0.0004728200000000, 0.0001539600000000, 0.0001730400000000 ] - [ -0.0003674800000000, -0.0001278600000000, 0.0000299700000000 ] - [ 0.0010360600000000, 0.0005820400000000, 0.0001980900000000 ] - [ 0.0036244500000000, -0.0003178300000000, -0.0000405200000000 ] - [ -0.0002956600000000, 0.0001405300000000, 0.0000233100000000 ] - [ -0.0003285200000000, 0.0000015400000000, 0.0000310200000000 ] - [ 0.0016116000000000, 0.0006837000000000, -0.0005436900000000 ] - [ 0.0028618000000000, 0.0087396500000000, -0.0071692300000000 ] - [ -0.0006128100000000, 0.0001715300000000, -0.0000146300000000 ] - [ -0.0000181600000000, -0.0000755900000000, 0.0000200200000000 ] - [ 0.0036445300000000, 0.0300501000000000, -0.0150075000000000 ] - [ -0.0044557200000000, 0.0053713800000000, 0.0016057200000000 ] - [ -0.0081847800000000, 0.0005591500000000, -0.0113274400000000 ] - [ -0.0002790600000000, -0.0002682800000000, -0.0003477700000000 ] - [ 0.0000003900000000, 0.0043132900000000, 0.0003357600000000 ] - [ 0.0300699500000000, -0.1634510500000000, 0.1332193700000000 ] - [ -0.0001506000000000, -0.0000360800000000, -0.0002596600000000 ] - [ -0.0004275600000000, -0.0001286100000000, -0.0002437000000000 ] - [ 0.0007242400000000, 0.0060034100000000, -0.0028566400000000 ] - [ 0.0020028300000000, -0.0097359700000000, -0.0047200100000000 ] - [ -0.0004541100000000, -0.0001074800000000, 0.0000549400000000 ] - [ -0.0001452800000000, -0.0002264500000000, 0.0001404700000000 ] - [ 0.0009705000000000, 0.0053950200000000, 0.0018850100000000 ] - [ -0.0010045000000000, -0.0021433000000000, -0.0000245800000000 ] - [ -0.0004948700000000, 0.0000228500000000, -0.0001182800000000 ] - [ -0.0007691900000000, 0.0004277100000000, -0.0001593000000000 ] - [ -0.0007244000000000, 0.0023170000000000, -0.0005443600000000 ] - [ -0.0021612600000000, 0.0012135400000000, 0.0007022600000000 ] - [ -0.0001060400000000, -0.0003263700000000, 0.0004256200000000 ] - [ -0.0003303300000000, 0.0000734500000000, 0.0003108900000000 ] - [ -0.0018921200000000, -0.0000495000000000, 0.0002888900000000 ] - [ -0.0017103000000000, 0.0013196900000000, -0.0004010500000000 ] - [ -0.0002676000000000, -0.0006802200000000, -0.0001948600000000 ] - [ -0.0000780400000000, -0.0002101300000000, -0.0000137400000000 ] - [ -0.0047710200000000, -0.0003554900000000, -0.0016772500000000 ] - [ -0.0051254900000000, 0.0018501800000000, 0.0018234500000000 ] - [ -0.0006969700000000, 0.0001697000000000, 0.0000117000000000 ] - [ 0.0000859300000000, 0.0003219200000000, 0.0000920000000000 ] - [ -0.0003631700000000, -0.0003093800000000, -0.0002649600000000 ] - [ 0.0008880800000000, 0.0005587300000000, 0.0000789100000000 ] - [ 0.0005997500000000, 0.0000997100000000, 0.0001936300000000 ] - [ 0.0003048000000000, -0.0001218300000000, 0.0002151300000000 ] - [ 0.0006614200000000, -0.0008476000000000, 0.0001035700000000 ] - [ -0.0014915100000000, 0.0004869200000000, -0.0003393600000000 ] - [ 0.0003824300000000, 0.0000732000000000, 0.0002122200000000 ] - [ -0.0000249100000000, 0.0001242900000000, 0.0001992200000000 ] - [ -0.0013929000000000, -0.0032363100000000, -0.0023944000000000 ] - [ -0.0024258000000000, 0.0013604700000000, 0.0005414900000000 ] - [ 0.0002642800000000, 0.0003099900000000, 0.0000335200000000 ] - [ -0.0000925700000000, 0.0002453400000000, 0.0000269800000000 ] - [ -0.0005815400000000, -0.0013609000000000, 0.0000727400000000 ] - [ -0.0017788700000000, -0.0007337100000000, -0.0019989700000000 ] - [ 0.0003600500000000, -0.0002982600000000, -0.0001090000000000 ] - [ 0.0001571000000000, 0.0003418100000000, -0.0000287800000000 ] - [ -0.0014456600000000, 0.0000320500000000, 0.0001263500000000 ] - [ -0.0183308100000000, 0.1169154800000000, -0.0963949600000000 ] - [ 0.0004598200000000, 0.0000673100000000, -0.0000629900000000 ] - [ 0.0003285600000000, 0.0000181200000000, -0.0000546900000000 ] - [ 0.0000385100000000, -0.0100772000000000, -0.0007405900000000 ] - [ 0.0035494600000000, -0.0013831800000000, 0.0010613600000000 ] - [ 0.0004638700000000, -0.0007143600000000, -0.0000702100000000 ] - [ 0.0004730200000000, 0.0001128300000000, -0.0000201900000000 ] - [ 0.0043391900000000, 0.0006452200000000, 0.0003203600000000 ] - [ -0.0017840300000000, 0.0149060500000000, 0.0027300500000000 ] - [ 0.0006472900000000, -0.0000633200000000, -0.0000693900000000 ] - [ 0.0008313600000000, 0.0000177400000000, -0.0000576600000000 ] - [ -0.0045373400000000, -0.0119947700000000, 0.0002740800000000 ] - [ -0.0015213100000000, 0.0121990900000000, -0.0011488700000000 ] - [ 0.0010940700000000, -0.0001955200000000, 0.0001573100000000 ] - [ 0.0000267200000000, -0.0000010100000000, 0.0001405700000000 ] - [ 0.0044887600000000, -0.0083954100000000, 0.0001620900000000 ] - [ 0.0010170800000000, 0.0022541600000000, -0.0006383900000000 ] - [ -0.0003313600000000, -0.0007507500000000, -0.0002393800000000 ] - [ -0.0007345000000000, 0.0008711500000000, 0.0002763400000000 ] - [ 0.0014530400000000, -0.0015079600000000, -0.0001252200000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019712000000000, 0.0024992300000000, -0.0010043200000000 ] - [ -0.0001143700000000, -0.0000378700000000, 0.0000069900000000 ] - [ 0.0004464900000000, -0.0004027800000000, 0.0000501500000000 ] - [ -0.0007882100000000, -0.0018137100000000, 0.0000076700000000 ] - [ 0.0003981000000000, 0.0008873000000000, -0.0001067100000000 ] - [ -0.0012189400000000, 0.0001278600000000, -0.0000674800000000 ] - [ -0.0001394100000000, -0.0008311000000000, -0.0004293500000000 ] - [ -0.0003079700000000, -0.0000916100000000, 0.0000592500000000 ] - [ 0.0001903100000000, 0.0008946200000000, -0.0005437500000000 ] - [ 0.0002952000000000, -0.0000469500000000, 0.0000190700000000 ] - [ 0.0005508000000000, 0.0002351600000000, 0.0001627100000000 ] - [ -0.0012059300000000, -0.0006958300000000, -0.0000000100000000 ] - [ -0.0036604800000000, 0.0001761200000000, 0.0000904400000000 ] - [ 0.0003300900000000, 0.0000252100000000, 0.0000203800000000 ] - [ 0.0002998600000000, 0.0001629500000000, 0.0000133500000000 ] - [ -0.0015685300000000, -0.0008577700000000, 0.0005779900000000 ] - [ -0.0023057600000000, -0.0088955900000000, 0.0072788600000000 ] - [ 0.0000162500000000, -0.0000696800000000, 0.0000192800000000 ] - [ 0.0006231700000000, 0.0001806300000000, -0.0000164500000000 ] - [ -0.0041544300000000, -0.0296488600000000, 0.0147360100000000 ] - [ 0.0037204500000000, -0.0058302100000000, -0.0015393500000000 ] - [ 0.0082387700000000, -0.0000667900000000, 0.0106700900000000 ] - [ 0.0003910000000000, -0.0003181100000000, -0.0002585200000000 ] - [ -0.0001037000000000, -0.0037220200000000, -0.0009341500000000 ] - [ -0.0295989700000000, 0.1606668500000000, -0.1282328400000000 ] - [ 0.0004184100000000, -0.0001264800000000, -0.0002426500000000 ] - [ 0.0001649000000000, -0.0000329700000000, -0.0002594200000000 ] - [ -0.0004696300000000, -0.0058420100000000, 0.0023483800000000 ] - [ -0.0017081100000000, 0.0099888200000000, 0.0049853600000000 ] - [ 0.0001349900000000, -0.0002214900000000, 0.0001382700000000 ] - [ 0.0004705600000000, -0.0001004100000000, 0.0000513400000000 ] - [ -0.0013071800000000, -0.0050728500000000, -0.0016946300000000 ] - [ 0.0008002800000000, 0.0017257700000000, -0.0002877700000000 ] - [ 0.0007029000000000, 0.0003831200000000, -0.0001934700000000 ] - [ 0.0005685000000000, -0.0000222300000000, -0.0001529600000000 ] - [ 0.0009423700000000, -0.0027204900000000, 0.0002332000000000 ] - [ 0.0018794800000000, -0.0008886300000000, 0.0000608900000000 ] - [ 0.0003874300000000, -0.0000045300000000, 0.0003393000000000 ] - [ 0.0000574800000000, -0.0004026700000000, 0.0004514900000000 ] - [ 0.0021670500000000, 0.0003884500000000, 0.0004743200000000 ] - [ 0.0018251200000000, -0.0004068100000000, 0.0002390000000000 ] - [ 0.0001509500000000, -0.0002386000000000, 0.0000274700000000 ] - [ 0.0002048000000000, -0.0007040700000000, -0.0001496800000000 ] - [ 0.0046758800000000, 0.0012759900000000, 0.0015259900000000 ] - [ 0.0058471600000000, -0.0022995100000000, -0.0016898900000000 ] - [ -0.0000590900000000, 0.0002880400000000, 0.0000935900000000 ] - [ 0.0006820900000000, 0.0001378900000000, 0.0000113500000000 ] - [ 0.0002591800000000, -0.0002774100000000, -0.0003419600000000 ] - [ -0.0013146800000000, -0.0006231900000000, 0.0002908500000000 ] - [ -0.0001821500000000, -0.0000307100000000, 0.0001748100000000 ] - [ -0.0007268300000000, 0.0001909600000000, 0.0001535800000000 ] - [ -0.0002470700000000, 0.0007809100000000, 0.0002654500000000 ] - [ 0.0010070100000000, -0.0009419300000000, 0.0006046700000000 ] - [ 0.0000247500000000, 0.0001237300000000, 0.0001984700000000 ] - [ -0.0003854500000000, 0.0000733500000000, 0.0002112900000000 ] - [ 0.0018014500000000, 0.0030724400000000, 0.0027934700000000 ] - [ 0.0020480000000000, -0.0018826000000000, -0.0004854700000000 ] - [ 0.0001245400000000, 0.0002284500000000, 0.0000248400000000 ] - [ -0.0002993200000000, 0.0002912900000000, 0.0000314600000000 ] - [ 0.0009796900000000, 0.0008219200000000, -0.0000145400000000 ] - [ 0.0016084700000000, 0.0007863900000000, 0.0018310800000000 ] - [ -0.0001869800000000, 0.0002191800000000, -0.0000691500000000 ] - [ -0.0003372900000000, -0.0004190700000000, -0.0001509300000000 ] - [ 0.0016238700000000, 0.0000764400000000, -0.0003033700000000 ] - [ 0.0172804800000000, -0.1140641800000000, 0.0910378400000000 ] - [ -0.0003131100000000, 0.0000115300000000, -0.0000567100000000 ] - [ -0.0004840800000000, 0.0000598200000000, -0.0000640300000000 ] - [ 0.0001107600000000, 0.0100135100000000, 0.0006180000000000 ] - [ -0.0035587900000000, 0.0018359100000000, -0.0011590000000000 ] - [ -0.0004676500000000, 0.0002519500000000, -0.0000168800000000 ] - [ -0.0004803800000000, -0.0005719200000000, -0.0000673200000000 ] - [ -0.0043323400000000, -0.0001644300000000, -0.0004075100000000 ] - [ 0.0019577800000000, -0.0149351400000000, -0.0029226800000000 ] - [ -0.0007695700000000, 0.0000294000000000, -0.0000447400000000 ] - [ -0.0007213000000000, -0.0000541800000000, -0.0000563000000000 ] - [ 0.0043891400000000, 0.0120090400000000, -0.0003825900000000 ] - [ 0.0006087500000000, -0.0121127600000000, 0.0015942700000000 ] - [ -0.0000217200000000, 0.0000121700000000, 0.0001353500000000 ] - [ -0.0011138400000000, -0.0001842400000000, 0.0001524300000000 ] - [ -0.0033516700000000, 0.0086106400000000, 0.0001395100000000 ] - [ -0.0015780900000000, -0.0023762700000000, 0.0003088300000000 ] - [ 0.0008814600000000, 0.0008724500000000, -0.0000920900000000 ] - [ 0.0001588400000000, -0.0007546200000000, -0.0006125400000000 ] - [ -0.0008907700000000, 0.0013898000000000, -0.0002072000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010654800000000, 0.0022367300000000, 0.0005040000000000 ] - [ -0.0003180800000000, -0.0001348700000000, 0.0000358200000000 ] - [ 0.0002236700000000, -0.0003256100000000, 0.0000635800000000 ] - [ 0.0004314100000000, -0.0012571200000000, 0.0002972700000000 ] - [ 0.0002752000000000, 0.0006333600000000, -0.0000887000000000 ] - [ -0.0005708100000000, 0.0001787000000000, 0.0000643200000000 ] - [ 0.0000662100000000, -0.0009671600000000, 0.0002666800000000 ] - [ -0.0004049500000000, -0.0000463800000000, 0.0000172600000000 ] - [ -0.0027455000000000, -0.0029799600000000, 0.0037781100000000 ] - [ 0.0000025900000000, -0.0000335600000000, 0.0000290300000000 ] - [ 0.0002320800000000, 0.0001614800000000, 0.0001337800000000 ] - [ -0.0007039700000000, 0.0000179600000000, -0.0001799100000000 ] - [ -0.0002719200000000, -0.0005282200000000, -0.0015472800000000 ] - [ 0.0000747000000000, 0.0000228400000000, 0.0000549200000000 ] - [ 0.0000342300000000, 0.0001422700000000, -0.0000223600000000 ] - [ -0.0008650000000000, -0.0001835800000000, 0.0005996400000000 ] - [ -0.0005714000000000, -0.0087762200000000, 0.0056436600000000 ] - [ -0.0002768700000000, 0.0000147700000000, 0.0000049800000000 ] - [ 0.0003273000000000, 0.0000894800000000, -0.0000015900000000 ] - [ -0.0010720200000000, -0.0117017800000000, -0.0001450900000000 ] - [ -0.0027656400000000, 0.0006694200000000, 0.0023906300000000 ] - [ 0.0124454500000000, -0.0104694500000000, 0.0109580400000000 ] - [ 0.0000857400000000, -0.0003272500000000, -0.0002935100000000 ] - [ -0.0001185000000000, -0.0022075500000000, -0.0010261300000000 ] - [ -0.0215415600000000, 0.1276854400000000, -0.2183676700000000 ] - [ 0.0001459000000000, -0.0000731600000000, -0.0002409700000000 ] - [ -0.0001183000000000, -0.0000898100000000, -0.0002618800000000 ] - [ 0.0001781500000000, -0.0025329500000000, 0.0011970800000000 ] - [ -0.0044160700000000, -0.0027129000000000, 0.0500457800000000 ] - [ -0.0001515900000000, -0.0001541300000000, 0.0000879400000000 ] - [ 0.0001718300000000, -0.0001699000000000, 0.0001024200000000 ] - [ -0.0006602600000000, -0.0016271000000000, -0.0016535000000000 ] - [ -0.0011496500000000, 0.0014639900000000, -0.0007214800000000 ] - [ 0.0003238500000000, 0.0003354600000000, -0.0001834300000000 ] - [ 0.0000374000000000, 0.0000593500000000, -0.0001935300000000 ] - [ -0.0007063100000000, -0.0008957800000000, -0.0001282800000000 ] - [ 0.0009367700000000, -0.0003895400000000, 0.0013402000000000 ] - [ 0.0000560700000000, -0.0000681700000000, 0.0003138100000000 ] - [ -0.0002115200000000, -0.0002609400000000, 0.0004448000000000 ] - [ 0.0001952200000000, -0.0000082600000000, -0.0003692600000000 ] - [ 0.0006130500000000, 0.0005789300000000, -0.0006393700000000 ] - [ -0.0001563400000000, -0.0003439200000000, -0.0000296200000000 ] - [ -0.0000412900000000, -0.0005561400000000, -0.0001481600000000 ] - [ 0.0031482100000000, 0.0006066400000000, 0.0027795900000000 ] - [ -0.0006342300000000, 0.0027553000000000, 0.0001829000000000 ] - [ -0.0003498300000000, 0.0002985900000000, 0.0000616100000000 ] - [ 0.0003766400000000, 0.0001635200000000, 0.0000474300000000 ] - [ -0.0000393300000000, -0.0002599100000000, -0.0003080800000000 ] - [ -0.0014583200000000, -0.0005442600000000, 0.0001592200000000 ] - [ 0.0001482300000000, -0.0000718900000000, 0.0001676300000000 ] - [ -0.0003415900000000, 0.0001691400000000, 0.0001426600000000 ] - [ 0.0000843000000000, 0.0003427900000000, 0.0002338400000000 ] - [ -0.0006075700000000, -0.0016929100000000, 0.0017349000000000 ] - [ 0.0001956700000000, 0.0001116800000000, 0.0002038800000000 ] - [ -0.0002182300000000, 0.0000854400000000, 0.0002054900000000 ] - [ -0.0001345800000000, -0.0018592000000000, -0.0009947300000000 ] - [ 0.0022413000000000, -0.0000966400000000, 0.0001180400000000 ] - [ 0.0002110800000000, 0.0002370100000000, 0.0000296900000000 ] - [ -0.0001573600000000, 0.0002951600000000, 0.0000352300000000 ] - [ 0.0003954800000000, 0.0002912200000000, 0.0001257200000000 ] - [ -0.0008938800000000, 0.0012773500000000, -0.0010511900000000 ] - [ 0.0000909400000000, 0.0001256800000000, -0.0001080800000000 ] - [ -0.0000702400000000, -0.0002466200000000, -0.0001461500000000 ] - [ 0.0006667600000000, -0.0010836600000000, -0.0004756600000000 ] - [ 0.0207383200000000, -0.0880509000000000, 0.1321723800000000 ] - [ 0.0000578100000000, 0.0000038800000000, -0.0000560100000000 ] - [ -0.0001039900000000, 0.0000691500000000, -0.0000666300000000 ] - [ -0.0004802100000000, 0.0051627700000000, 0.0013296600000000 ] - [ 0.0023277800000000, 0.0019313000000000, -0.0007472600000000 ] - [ -0.0000295100000000, -0.0000033300000000, -0.0000403800000000 ] - [ -0.0000636100000000, -0.0005012000000000, -0.0000381200000000 ] - [ -0.0004634200000000, -0.0008485700000000, -0.0009328100000000 ] - [ -0.0102215700000000, -0.0016388700000000, 0.0069100200000000 ] - [ -0.0001538100000000, -0.0000195500000000, -0.0000522300000000 ] - [ -0.0000615000000000, 0.0000102400000000, -0.0000458100000000 ] - [ 0.0020677900000000, 0.0033503000000000, 0.0000055700000000 ] - [ 0.0073226200000000, -0.0103783900000000, 0.0043040100000000 ] - [ 0.0005609400000000, -0.0000657600000000, 0.0001432000000000 ] - [ -0.0005001700000000, -0.0001210000000000, 0.0001417500000000 ] - [ -0.0017262500000000, 0.0055800800000000, 0.0013734000000000 ] - [ -0.0009501100000000, -0.0007578400000000, 0.0003529700000000 ] - [ 0.0009229400000000, 0.0000834300000000, -0.0001597900000000 ] - [ 0.0004913600000000, 0.0001550000000000, 0.0001913900000000 ] - [ -0.0004735900000000, 0.0006660700000000, -0.0000612700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005354400000000, -0.0017672600000000, -0.0004590900000000 ] - [ -0.0002157400000000, -0.0003275300000000, 0.0000336500000000 ] - [ 0.0003048900000000, -0.0001321500000000, 0.0000043600000000 ] - [ -0.0009577500000000, 0.0017105600000000, -0.0002229200000000 ] - [ 0.0005667700000000, -0.0000093300000000, -0.0000020100000000 ] - [ -0.0002822100000000, -0.0007949300000000, -0.0001535000000000 ] - [ 0.0007888000000000, 0.0003453500000000, -0.0003521000000000 ] - [ -0.0004381400000000, 0.0006649200000000, -0.0001068800000000 ] - [ 0.0029050500000000, 0.0028651100000000, -0.0035708600000000 ] - [ -0.0001842200000000, 0.0001285500000000, 0.0001516500000000 ] - [ -0.0000492500000000, -0.0000612300000000, 0.0000518000000000 ] - [ 0.0005154800000000, -0.0001175100000000, 0.0003644900000000 ] - [ 0.0002678900000000, 0.0003642000000000, 0.0015692900000000 ] - [ -0.0000425600000000, 0.0001373400000000, -0.0000099200000000 ] - [ -0.0000654800000000, 0.0000186000000000, 0.0000661500000000 ] - [ 0.0008934800000000, 0.0000219800000000, -0.0005558300000000 ] - [ 0.0011513100000000, 0.0085398700000000, -0.0056083700000000 ] - [ -0.0003214600000000, 0.0000848900000000, 0.0000008100000000 ] - [ 0.0002753200000000, 0.0000180100000000, 0.0000052400000000 ] - [ 0.0004496500000000, 0.0114867500000000, 0.0002746800000000 ] - [ 0.0020081900000000, -0.0011212000000000, -0.0022574100000000 ] - [ -0.0124360700000000, 0.0111475000000000, -0.0115210100000000 ] - [ 0.0000356800000000, -0.0002587100000000, -0.0003081500000000 ] - [ -0.0000107400000000, 0.0027644900000000, 0.0004129600000000 ] - [ 0.0228930400000000, -0.1338115200000000, 0.2232086400000000 ] - [ 0.0001178500000000, -0.0000876300000000, -0.0002583800000000 ] - [ -0.0001483800000000, -0.0000721300000000, -0.0002397100000000 ] - [ 0.0000921600000000, 0.0026703000000000, -0.0016821900000000 ] - [ 0.0048686800000000, 0.0032072600000000, -0.0502498500000000 ] - [ -0.0001739300000000, -0.0001715000000000, 0.0001003800000000 ] - [ 0.0001513600000000, -0.0001552600000000, 0.0000867800000000 ] - [ 0.0003334400000000, 0.0019446000000000, 0.0018264300000000 ] - [ 0.0009198900000000, -0.0018657600000000, 0.0003958200000000 ] - [ -0.0001185900000000, 0.0000858100000000, -0.0001287300000000 ] - [ -0.0002401300000000, 0.0003563200000000, -0.0001193400000000 ] - [ 0.0009038500000000, 0.0004693800000000, -0.0001831200000000 ] - [ -0.0012055200000000, 0.0007346700000000, -0.0005560100000000 ] - [ 0.0002192100000000, -0.0002753400000000, 0.0004705900000000 ] - [ -0.0000665700000000, -0.0000826600000000, 0.0003381300000000 ] - [ 0.0000792700000000, 0.0003508700000000, 0.0011336500000000 ] - [ -0.0004799600000000, 0.0003418600000000, 0.0004719300000000 ] - [ 0.0000282600000000, -0.0005759400000000, -0.0001392800000000 ] - [ 0.0001683900000000, -0.0003585300000000, -0.0000152700000000 ] - [ -0.0032445200000000, 0.0003076200000000, -0.0029049500000000 ] - [ 0.0013846200000000, -0.0031907600000000, -0.0000911500000000 ] - [ -0.0003824600000000, 0.0001592800000000, 0.0000466000000000 ] - [ 0.0003662500000000, 0.0002944900000000, 0.0000582600000000 ] - [ -0.0000805800000000, -0.0003250300000000, -0.0002941200000000 ] - [ 0.0010310100000000, 0.0004752400000000, 0.0002070800000000 ] - [ 0.0002768400000000, 0.0001367600000000, 0.0002015000000000 ] - [ -0.0000846200000000, -0.0001005100000000, 0.0002267100000000 ] - [ 0.0003366300000000, -0.0004033000000000, 0.0001360700000000 ] - [ 0.0001675900000000, 0.0014283700000000, -0.0013711600000000 ] - [ 0.0002171500000000, 0.0000855400000000, 0.0002064700000000 ] - [ -0.0001929000000000, 0.0001125200000000, 0.0002052800000000 ] - [ 0.0005499900000000, 0.0016708900000000, 0.0014314900000000 ] - [ -0.0026175500000000, -0.0004415200000000, -0.0000779900000000 ] - [ 0.0001776500000000, 0.0003008800000000, 0.0000278700000000 ] - [ -0.0002299700000000, 0.0002415700000000, 0.0000225800000000 ] - [ -0.0000082000000000, -0.0008265100000000, -0.0000659800000000 ] - [ 0.0006944300000000, -0.0011942500000000, 0.0008535500000000 ] - [ 0.0000978700000000, -0.0002061000000000, -0.0000696900000000 ] - [ -0.0001193900000000, 0.0001641700000000, -0.0000332300000000 ] - [ -0.0004730700000000, 0.0011621600000000, 0.0002963600000000 ] - [ -0.0222693000000000, 0.0945220300000000, -0.1383140000000000 ] - [ 0.0001038100000000, 0.0000700600000000, -0.0000667300000000 ] - [ -0.0000572600000000, 0.0000062500000000, -0.0000557100000000 ] - [ 0.0006380900000000, -0.0052059200000000, -0.0014358800000000 ] - [ -0.0022836000000000, -0.0014502500000000, 0.0006471700000000 ] - [ 0.0000124600000000, -0.0004550500000000, -0.0000480200000000 ] - [ 0.0000795100000000, 0.0000395800000000, -0.0000501400000000 ] - [ 0.0004308400000000, 0.0012923800000000, 0.0008423400000000 ] - [ 0.0096909700000000, 0.0016934800000000, -0.0065000300000000 ] - [ 0.0000613300000000, -0.0000142100000000, -0.0000623100000000 ] - [ 0.0001542100000000, -0.0000457800000000, -0.0000687100000000 ] - [ -0.0021385100000000, -0.0032851100000000, -0.0001182400000000 ] - [ -0.0079569000000000, 0.0102675000000000, -0.0036245600000000 ] - [ 0.0004962900000000, -0.0001170800000000, 0.0001460700000000 ] - [ -0.0005536100000000, -0.0000644100000000, 0.0001472100000000 ] - [ 0.0027461400000000, -0.0053739200000000, -0.0010853900000000 ] - [ 0.0003842600000000, 0.0006269700000000, -0.0006788900000000 ] - [ -0.0003556000000000, 0.0000394200000000, -0.0001701200000000 ] - [ -0.0010476400000000, -0.0000225400000000, -0.0005134400000000 ] - [ 0.0010319700000000, -0.0007880000000000, -0.0002697000000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0072683100000000, 0.0041520200000000, -0.0051040700000000 ] - [ 0.0016756400000000, 0.0004951600000000, -0.0000366300000000 ] - [ 0.0021620500000000, -0.0005131900000000, 0.0000438400000000 ] - [ -0.0006782100000000, 0.0011458600000000, 0.0004243600000000 ] - [ 0.0028382900000000, 0.0007432500000000, -0.0005209300000000 ] - [ 0.0012585900000000, 0.0008590100000000, 0.0005161000000000 ] - [ 0.0021448900000000, 0.0004592200000000, -0.0000759500000000 ] - [ 0.0011656900000000, 0.0006814600000000, 0.0000998300000000 ] - [ 0.0022715000000000, 0.0021018600000000, -0.0002949200000000 ] - [ 0.0016416700000000, 0.0003715100000000, 0.0001436400000000 ] - [ 0.0021898800000000, -0.0002351400000000, 0.0001126600000000 ] - [ -0.0005093300000000, 0.0017260800000000, -0.0008821400000000 ] - [ 0.0022265500000000, 0.0041545400000000, 0.0027714700000000 ] - [ 0.0018415800000000, 0.0004277300000000, -0.0003148000000000 ] - [ 0.0021665800000000, -0.0002628100000000, 0.0003217400000000 ] - [ -0.0001181700000000, 0.0024910700000000, 0.0010390400000000 ] - [ -0.0077282300000000, 0.0055790700000000, 0.0018999600000000 ] - [ 0.0016335200000000, -0.0004111100000000, 0.0000985800000000 ] - [ 0.0023139900000000, 0.0005300500000000, -0.0000948600000000 ] - [ -0.0130103000000000, 0.0016892400000000, 0.0010517200000000 ] - [ -0.0022527500000000, -0.0058691600000000, 0.0016195600000000 ] - [ 0.0281869900000000, -0.0189466100000000, -0.0213368500000000 ] - [ 0.0019387900000000, -0.0002195600000000, -0.0000695000000000 ] - [ -0.0057308600000000, -0.0052033800000000, 0.0001934600000000 ] - [ -0.0158473900000000, 0.0019552700000000, -0.0049675900000000 ] - [ 0.0019575600000000, -0.0003766800000000, -0.0002619100000000 ] - [ 0.0017549200000000, 0.0002256400000000, -0.0002414500000000 ] - [ -0.0049003400000000, -0.0010622000000000, 0.0002462200000000 ] - [ -0.1186103600000000, 0.0594222900000000, 0.1067960700000000 ] - [ 0.0017763400000000, -0.0005323300000000, 0.0004351400000000 ] - [ 0.0021384400000000, 0.0002442600000000, -0.0002535000000000 ] - [ -0.0055537500000000, -0.0008367400000000, -0.0009463500000000 ] - [ 0.0028542200000000, -0.0013568300000000, -0.0002762400000000 ] - [ 0.0020702500000000, 0.0004339900000000, -0.0002481300000000 ] - [ 0.0020327400000000, -0.0007361200000000, -0.0001043300000000 ] - [ 0.0003361400000000, -0.0020987300000000, -0.0000021600000000 ] - [ 0.0009965400000000, -0.0017179700000000, 0.0000723400000000 ] - [ 0.0021682800000000, -0.0004577600000000, 0.0005176600000000 ] - [ 0.0014796700000000, 0.0000200800000000, 0.0004196500000000 ] - [ 0.0033835500000000, -0.0007140100000000, -0.0013005100000000 ] - [ 0.0010807500000000, -0.0012720800000000, 0.0006266000000000 ] - [ 0.0021049000000000, -0.0008045300000000, -0.0003236400000000 ] - [ 0.0017665100000000, -0.0001870100000000, 0.0000188600000000 ] - [ 0.0028675700000000, -0.0020114500000000, -0.0001196200000000 ] - [ 0.0002153400000000, -0.0044157900000000, 0.0010175000000000 ] - [ 0.0015518000000000, 0.0000159700000000, 0.0002232400000000 ] - [ 0.0021829800000000, 0.0002555300000000, -0.0001119200000000 ] - [ 0.0018316700000000, -0.0004596700000000, -0.0005214600000000 ] - [ -0.0028493200000000, -0.0000182400000000, 0.0001127300000000 ] - [ -0.0010390500000000, 0.0001610400000000, 0.0001680700000000 ] - [ -0.0014110800000000, 0.0003031600000000, 0.0001651000000000 ] - [ -0.0001817200000000, 0.0006012100000000, 0.0002627300000000 ] - [ 0.0029444800000000, -0.0020503300000000, 0.0008230600000000 ] - [ -0.0009350700000000, 0.0001194200000000, 0.0001669500000000 ] - [ -0.0014006100000000, 0.0000620700000000, 0.0002495800000000 ] - [ 0.0058985800000000, 0.0001434900000000, 0.0001339700000000 ] - [ -0.0028703600000000, -0.0024547100000000, -0.0028965100000000 ] - [ -0.0009625100000000, 0.0001539800000000, 0.0000571000000000 ] - [ -0.0013352500000000, 0.0002476900000000, -0.0000035400000000 ] - [ 0.0010104700000000, -0.0004439500000000, 0.0000761800000000 ] - [ -0.0015965600000000, -0.0028404700000000, -0.0005012500000000 ] - [ -0.0021475800000000, -0.0001840100000000, -0.0000860000000000 ] - [ -0.0028420400000000, -0.0001824800000000, 0.0000074900000000 ] - [ -0.0025483800000000, -0.0057651300000000, -0.0003837600000000 ] - [ 0.0747250200000000, -0.0273154800000000, -0.0624950900000000 ] - [ -0.0023951900000000, 0.0000633200000000, -0.0001063600000000 ] - [ -0.0025415900000000, -0.0000092400000000, -0.0000042900000000 ] - [ 0.0088476400000000, -0.0005479700000000, -0.0004868600000000 ] - [ 0.0001533100000000, 0.0045563900000000, -0.0005778700000000 ] - [ -0.0023121100000000, 0.0001691900000000, 0.0000381600000000 ] - [ -0.0025609300000000, -0.0000754100000000, -0.0001532100000000 ] - [ -0.0020133300000000, 0.0029710600000000, -0.0000165500000000 ] - [ 0.0086902300000000, -0.0076175400000000, -0.0064412900000000 ] - [ -0.0040040400000000, 0.0000772900000000, 0.0000577800000000 ] - [ -0.0041564900000000, 0.0001226300000000, -0.0001801600000000 ] - [ 0.0070259300000000, 0.0015973600000000, -0.0002718400000000 ] - [ 0.0229062500000000, -0.0093686400000000, -0.0109134400000000 ] - [ -0.0033593500000000, -0.0001038800000000, 0.0000826900000000 ] - [ -0.0047255300000000, -0.0001712100000000, 0.0001976700000000 ] - [ 0.0078231900000000, 0.0096209800000000, 0.0013347800000000 ] - [ -0.0061507900000000, 0.0000008000000000, 0.0001128100000000 ] - [ -0.0023999300000000, -0.0008066100000000, -0.0004811100000000 ] - [ -0.0049907500000000, -0.0008341400000000, -0.0001343300000000 ] - [ -0.0028305400000000, 0.0003390900000000, -0.0002131700000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0066873000000000, -0.0036475100000000, 0.0051054700000000 ] - [ -0.0022086600000000, -0.0009571000000000, 0.0001061500000000 ] - [ -0.0016307900000000, 0.0000521800000000, 0.0000246800000000 ] - [ 0.0001542600000000, -0.0006920400000000, -0.0003575600000000 ] - [ -0.0019921300000000, -0.0001172000000000, 0.0004288000000000 ] - [ -0.0021080300000000, -0.0014683200000000, -0.0006026600000000 ] - [ -0.0012956400000000, -0.0010834400000000, -0.0000159900000000 ] - [ -0.0020061500000000, -0.0000629900000000, -0.0001885800000000 ] - [ -0.0020874900000000, -0.0021912000000000, 0.0004676400000000 ] - [ -0.0018220600000000, -0.0002768400000000, 0.0000376800000000 ] - [ -0.0020049600000000, 0.0003341100000000, 0.0000723400000000 ] - [ 0.0003106300000000, -0.0018149200000000, 0.0010637600000000 ] - [ -0.0022726500000000, -0.0043606500000000, -0.0027698200000000 ] - [ -0.0018077300000000, -0.0002665900000000, 0.0003579300000000 ] - [ -0.0021957800000000, 0.0004234900000000, -0.0002787000000000 ] - [ 0.0001344700000000, -0.0026410600000000, -0.0009935800000000 ] - [ 0.0083408700000000, -0.0056400300000000, -0.0018802100000000 ] - [ -0.0022316700000000, 0.0005118300000000, -0.0000929800000000 ] - [ -0.0017088800000000, -0.0004208300000000, 0.0000981500000000 ] - [ 0.0124257300000000, -0.0019657000000000, -0.0011834000000000 ] - [ 0.0014786600000000, 0.0053864600000000, -0.0015041100000000 ] - [ -0.0285868100000000, 0.0198655600000000, 0.0210851500000000 ] - [ -0.0018151700000000, -0.0003666700000000, -0.0005318000000000 ] - [ 0.0055831800000000, 0.0057464600000000, -0.0007923000000000 ] - [ 0.0156737800000000, -0.0017565900000000, 0.0043138300000000 ] - [ -0.0016923700000000, 0.0002140800000000, -0.0002392600000000 ] - [ -0.0020204900000000, -0.0003887100000000, -0.0002616400000000 ] - [ 0.0051634700000000, 0.0012125200000000, -0.0007475000000000 ] - [ 0.1195523000000000, -0.0593507800000000, -0.1074808600000000 ] - [ -0.0020993900000000, 0.0002050000000000, -0.0002436100000000 ] - [ -0.0018154200000000, -0.0005709200000000, 0.0004456900000000 ] - [ 0.0052313900000000, 0.0011549800000000, 0.0011402300000000 ] - [ -0.0030670700000000, 0.0009496200000000, -0.0000320700000000 ] - [ -0.0018629700000000, -0.0000128600000000, -0.0000641300000000 ] - [ -0.0022345400000000, 0.0011497900000000, -0.0002088000000000 ] - [ -0.0001423300000000, 0.0016671900000000, -0.0003077200000000 ] - [ -0.0012642800000000, 0.0020650300000000, 0.0007076300000000 ] - [ -0.0018906000000000, 0.0001145400000000, 0.0002677700000000 ] - [ -0.0017579900000000, -0.0003643500000000, 0.0003642800000000 ] - [ -0.0031029500000000, 0.0010527500000000, 0.0020795500000000 ] - [ -0.0009439700000000, 0.0021922500000000, -0.0007893700000000 ] - [ -0.0022313300000000, -0.0001152700000000, 0.0001549200000000 ] - [ -0.0016402800000000, -0.0007295700000000, -0.0001842700000000 ] - [ -0.0029718700000000, 0.0028949000000000, -0.0000392500000000 ] - [ 0.0005643400000000, 0.0039787500000000, -0.0009122200000000 ] - [ -0.0022856400000000, 0.0004418700000000, -0.0001153400000000 ] - [ -0.0014382100000000, 0.0002012300000000, 0.0002172100000000 ] - [ -0.0019520600000000, -0.0001253400000000, -0.0000805400000000 ] - [ 0.0024253500000000, -0.0000504100000000, 0.0002572100000000 ] - [ 0.0014591600000000, -0.0000963100000000, 0.0001999700000000 ] - [ 0.0009881500000000, -0.0002354400000000, 0.0002021900000000 ] - [ 0.0006036900000000, -0.0006596700000000, 0.0001061600000000 ] - [ -0.0033743200000000, 0.0018335500000000, -0.0004084900000000 ] - [ 0.0013465400000000, 0.0000777800000000, 0.0002434300000000 ] - [ 0.0009892200000000, 0.0001358200000000, 0.0001612200000000 ] - [ -0.0054801900000000, -0.0003306100000000, 0.0002779100000000 ] - [ 0.0025472700000000, 0.0019106400000000, 0.0029636200000000 ] - [ 0.0013485400000000, 0.0003851000000000, 0.0000003700000000 ] - [ 0.0009489100000000, 0.0002908700000000, 0.0000611300000000 ] - [ -0.0006336200000000, -0.0000939000000000, -0.0000193900000000 ] - [ 0.0014016800000000, 0.0029303700000000, 0.0003349300000000 ] - [ 0.0023352800000000, 0.0001036900000000, -0.0000902200000000 ] - [ 0.0026476400000000, 0.0000993700000000, -0.0001847500000000 ] - [ 0.0027490300000000, 0.0058129900000000, 0.0002012600000000 ] - [ -0.0747208100000000, 0.0279362300000000, 0.0640737300000000 ] - [ 0.0025558600000000, 0.0000097600000000, -0.0000165400000000 ] - [ 0.0023772100000000, 0.0000845700000000, -0.0001183100000000 ] - [ -0.0086376100000000, 0.0004670700000000, 0.0003583400000000 ] - [ -0.0001187400000000, -0.0040551700000000, 0.0004757200000000 ] - [ 0.0022957500000000, -0.0006255300000000, -0.0001287500000000 ] - [ 0.0025721700000000, -0.0003859900000000, 0.0000625800000000 ] - [ 0.0019799200000000, -0.0025216800000000, -0.0000747500000000 ] - [ -0.0093838100000000, 0.0075298000000000, 0.0060036900000000 ] - [ 0.0039068300000000, -0.0001112800000000, -0.0001716500000000 ] - [ 0.0042469600000000, -0.0001577100000000, 0.0000661500000000 ] - [ -0.0070609500000000, -0.0015025400000000, 0.0001529600000000 ] - [ -0.0236498700000000, 0.0090347700000000, 0.0107279500000000 ] - [ 0.0044153100000000, -0.0000797000000000, 0.0002072800000000 ] - [ 0.0036675200000000, -0.0000146900000000, 0.0000918600000000 ] - [ -0.0068482100000000, -0.0094436300000000, -0.0010550800000000 ] - [ 0.0055729800000000, -0.0001292800000000, -0.0004385500000000 ] - [ 0.0029711500000000, 0.0009241800000000, 0.0001509700000000 ] - [ 0.0044340400000000, 0.0009603000000000, -0.0001965900000000 ] - [ 0.0033845200000000, -0.0004603900000000, -0.0001181900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028671300000000, -0.0040173800000000, -0.0013257100000000 ] - [ -0.0004362900000000, -0.0004838200000000, 0.0000691700000000 ] - [ -0.0000444000000000, -0.0000819800000000, 0.0000170800000000 ] - [ -0.0001224500000000, 0.0016726200000000, -0.0001105600000000 ] - [ 0.0005080900000000, -0.0004933500000000, 0.0000615500000000 ] - [ 0.0004841300000000, -0.0010945600000000, -0.0001404000000000 ] - [ 0.0005159100000000, 0.0000013700000000, 0.0000064800000000 ] - [ -0.0006561300000000, 0.0005576400000000, -0.0001291300000000 ] - [ 0.0007573100000000, -0.0004739100000000, -0.0003324600000000 ] - [ -0.0005189900000000, 0.0000776600000000, 0.0001350200000000 ] - [ -0.0004507900000000, -0.0001632000000000, -0.0000259900000000 ] - [ 0.0010977500000000, 0.0006990000000000, -0.0000291300000000 ] - [ 0.0007396500000000, -0.0003366100000000, 0.0005342900000000 ] - [ -0.0003780400000000, 0.0000817800000000, 0.0000493100000000 ] - [ -0.0004158400000000, -0.0000501900000000, 0.0000482300000000 ] - [ 0.0027008700000000, 0.0015665600000000, -0.0004274800000000 ] - [ 0.0041951000000000, 0.0115664500000000, 0.0048471100000000 ] - [ -0.0006971400000000, 0.0001897300000000, -0.0000186800000000 ] - [ -0.0001010700000000, -0.0000959200000000, 0.0000212600000000 ] - [ -0.0019580800000000, 0.0201010000000000, 0.0215575100000000 ] - [ -0.0036960600000000, 0.0077606100000000, -0.0027003900000000 ] - [ -0.0153257600000000, -0.0040742600000000, 0.0078078600000000 ] - [ -0.0003651400000000, -0.0002613900000000, -0.0003539400000000 ] - [ 0.0012876000000000, 0.0062532700000000, 0.0003851700000000 ] - [ 0.0037319700000000, -0.0097491000000000, -0.0032954200000000 ] - [ -0.0002211600000000, -0.0000229700000000, -0.0002595000000000 ] - [ -0.0005182000000000, -0.0001419500000000, -0.0002443000000000 ] - [ 0.0011030100000000, 0.0053106800000000, -0.0020328900000000 ] - [ 0.0594494400000000, -0.1121488900000000, -0.1000081100000000 ] - [ -0.0005263400000000, -0.0000889700000000, 0.0000436100000000 ] - [ -0.0002433700000000, -0.0002415200000000, 0.0001585100000000 ] - [ 0.0008212300000000, 0.0057381500000000, 0.0029115800000000 ] - [ -0.0003610700000000, -0.0020828900000000, 0.0000046500000000 ] - [ -0.0004886800000000, 0.0000605700000000, -0.0001293900000000 ] - [ -0.0010241800000000, 0.0005385900000000, -0.0002541800000000 ] - [ -0.0010174900000000, 0.0029959500000000, -0.0000281500000000 ] - [ -0.0014643700000000, 0.0007443500000000, 0.0003163200000000 ] - [ -0.0001986700000000, -0.0002466500000000, 0.0004349600000000 ] - [ -0.0003841500000000, 0.0001498300000000, 0.0003043000000000 ] - [ -0.0059015500000000, -0.0000049800000000, 0.0037303200000000 ] - [ -0.0014050500000000, 0.0012191300000000, -0.0001438800000000 ] - [ -0.0003908200000000, -0.0005427600000000, -0.0001179000000000 ] - [ -0.0000962700000000, -0.0001060700000000, 0.0000415900000000 ] - [ -0.0031168100000000, -0.0001161900000000, -0.0001661300000000 ] - [ -0.0032177400000000, -0.0005760000000000, -0.0000106100000000 ] - [ -0.0007504900000000, 0.0002011500000000, 0.0000120800000000 ] - [ -0.0000263800000000, 0.0003538700000000, 0.0001106100000000 ] - [ -0.0004411300000000, -0.0002938700000000, -0.0002515700000000 ] - [ 0.0008683100000000, 0.0003285800000000, 0.0002836300000000 ] - [ 0.0005502600000000, 0.0000942700000000, 0.0001825600000000 ] - [ 0.0004703300000000, -0.0001572200000000, 0.0001405800000000 ] - [ 0.0007312100000000, -0.0012091800000000, 0.0002379900000000 ] - [ -0.0026783500000000, -0.0031076700000000, 0.0022288000000000 ] - [ 0.0004391800000000, 0.0000766600000000, 0.0002132900000000 ] - [ 0.0000231200000000, 0.0001330200000000, 0.0001966700000000 ] - [ -0.0003854000000000, 0.0043738000000000, -0.0014055600000000 ] - [ -0.0028754000000000, 0.0024521700000000, -0.0007965400000000 ] - [ 0.0002821800000000, 0.0003179900000000, 0.0000351900000000 ] - [ -0.0000089900000000, 0.0002481600000000, 0.0000315200000000 ] - [ -0.0005157900000000, -0.0010437000000000, -0.0000354900000000 ] - [ -0.0006157600000000, -0.0003153700000000, -0.0002658500000000 ] - [ 0.0005053500000000, -0.0002003500000000, -0.0000982600000000 ] - [ 0.0001850700000000, 0.0004568400000000, -0.0000467700000000 ] - [ -0.0025709400000000, 0.0004017800000000, 0.0009864300000000 ] - [ -0.0251407200000000, 0.0607632700000000, 0.0523652800000000 ] - [ 0.0005642700000000, 0.0000675500000000, -0.0000623600000000 ] - [ 0.0004395200000000, 0.0000202000000000, -0.0000582200000000 ] - [ -0.0007702800000000, -0.0093657200000000, -0.0005231700000000 ] - [ 0.0032124300000000, -0.0022118800000000, -0.0008872500000000 ] - [ 0.0005922700000000, -0.0009000400000000, -0.0000869700000000 ] - [ 0.0005695800000000, 0.0000017100000000, -0.0000179000000000 ] - [ 0.0030021700000000, 0.0004244800000000, -0.0003597200000000 ] - [ -0.0042329100000000, 0.0122597300000000, 0.0010375600000000 ] - [ 0.0008068600000000, -0.0000470400000000, -0.0000789600000000 ] - [ 0.0010345100000000, 0.0000470100000000, -0.0000469400000000 ] - [ -0.0047646100000000, -0.0123761300000000, 0.0000322000000000 ] - [ -0.0111803700000000, 0.0249872600000000, 0.0159496500000000 ] - [ 0.0012116000000000, -0.0002277300000000, 0.0001561900000000 ] - [ 0.0002574400000000, -0.0000255900000000, 0.0001324500000000 ] - [ 0.0044679800000000, -0.0075260100000000, 0.0002902500000000 ] - [ 0.0016387200000000, 0.0030362100000000, -0.0001796200000000 ] - [ -0.0006962500000000, -0.0010628100000000, -0.0003837500000000 ] - [ -0.0001555800000000, 0.0004519800000000, -0.0001685600000000 ] - [ 0.0014398900000000, -0.0010168100000000, -0.0000710700000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023538900000000, 0.0044812800000000, 0.0014050700000000 ] - [ -0.0000958400000000, 0.0000123400000000, 0.0000029100000000 ] - [ 0.0005884600000000, -0.0003898500000000, 0.0000544600000000 ] - [ -0.0004223100000000, -0.0011939200000000, 0.0001865300000000 ] - [ 0.0003273300000000, 0.0011192000000000, -0.0001481900000000 ] - [ -0.0013194900000000, 0.0004689800000000, 0.0000530200000000 ] - [ 0.0003293600000000, -0.0006197000000000, -0.0000923500000000 ] - [ -0.0001712600000000, 0.0000685500000000, 0.0000440600000000 ] - [ -0.0005678700000000, 0.0003908200000000, 0.0005120900000000 ] - [ 0.0003453900000000, 0.0000279500000000, 0.0000548600000000 ] - [ 0.0006379900000000, 0.0002684000000000, 0.0002168300000000 ] - [ -0.0012711800000000, -0.0008100100000000, 0.0002215600000000 ] - [ -0.0007597800000000, 0.0001951800000000, -0.0004754100000000 ] - [ 0.0004169200000000, 0.0000840100000000, -0.0000056400000000 ] - [ 0.0003905200000000, 0.0002139200000000, -0.0000026700000000 ] - [ -0.0026566100000000, -0.0017332100000000, 0.0004692400000000 ] - [ -0.0036719800000000, -0.0117768400000000, -0.0049194500000000 ] - [ 0.0001042500000000, -0.0000907500000000, 0.0000235000000000 ] - [ 0.0007102300000000, 0.0002006000000000, -0.0000180000000000 ] - [ 0.0013452500000000, -0.0200031000000000, -0.0212361500000000 ] - [ 0.0029757300000000, -0.0082877100000000, 0.0028427200000000 ] - [ 0.0154575700000000, 0.0044936600000000, -0.0084425200000000 ] - [ 0.0004816500000000, -0.0003259400000000, -0.0002522200000000 ] - [ -0.0014084900000000, -0.0056754300000000, -0.0009938100000000 ] - [ -0.0039838000000000, 0.0099752000000000, 0.0026270000000000 ] - [ 0.0004924600000000, -0.0001388200000000, -0.0002407100000000 ] - [ 0.0002594600000000, -0.0000175900000000, -0.0002564600000000 ] - [ -0.0008569500000000, -0.0051560800000000, 0.0015406900000000 ] - [ -0.0593186700000000, 0.1129681700000000, 0.0999274700000000 ] - [ 0.0002111500000000, -0.0002407700000000, 0.0001491900000000 ] - [ 0.0005723800000000, -0.0000848000000000, 0.0000315600000000 ] - [ -0.0011698300000000, -0.0054270700000000, -0.0027444400000000 ] - [ 0.0001628900000000, 0.0016727300000000, -0.0003150100000000 ] - [ 0.0007004800000000, 0.0003458700000000, -0.0001820500000000 ] - [ 0.0008291200000000, -0.0001350000000000, -0.0000557000000000 ] - [ 0.0012369900000000, -0.0034130300000000, -0.0002859800000000 ] - [ 0.0011923500000000, -0.0004232800000000, 0.0004463300000000 ] - [ 0.0004827800000000, -0.0000852600000000, 0.0003313900000000 ] - [ 0.0001145900000000, -0.0004806600000000, 0.0004601100000000 ] - [ 0.0062344100000000, 0.0003392200000000, -0.0030027900000000 ] - [ 0.0015299400000000, -0.0003100300000000, -0.0000172600000000 ] - [ 0.0002763500000000, -0.0003758300000000, -0.0000498800000000 ] - [ 0.0002270100000000, -0.0008083700000000, -0.0002052400000000 ] - [ 0.0030018600000000, 0.0010440400000000, 0.0000050300000000 ] - [ 0.0039658800000000, 0.0000952300000000, 0.0001107300000000 ] - [ 0.0000011700000000, 0.0002572400000000, 0.0000941500000000 ] - [ 0.0007960300000000, 0.0001058000000000, -0.0000069900000000 ] - [ 0.0003393500000000, -0.0002937400000000, -0.0003561400000000 ] - [ -0.0013027700000000, -0.0003974100000000, 0.0000857300000000 ] - [ -0.0001380600000000, -0.0000260400000000, 0.0001851600000000 ] - [ -0.0008950800000000, 0.0002269000000000, 0.0002289500000000 ] - [ -0.0003193900000000, 0.0011478100000000, 0.0001296800000000 ] - [ 0.0022821600000000, 0.0028966500000000, -0.0018311000000000 ] - [ -0.0000327700000000, 0.0001198300000000, 0.0001971800000000 ] - [ -0.0004372800000000, 0.0000634300000000, 0.0002136400000000 ] - [ 0.0008265200000000, -0.0042074400000000, 0.0015731000000000 ] - [ 0.0025172200000000, -0.0029742600000000, 0.0008649400000000 ] - [ 0.0001040300000000, 0.0002211200000000, 0.0000227700000000 ] - [ -0.0003841600000000, 0.0002889400000000, 0.0000264100000000 ] - [ 0.0009135200000000, 0.0005060000000000, 0.0000941000000000 ] - [ 0.0004358500000000, 0.0003760900000000, 0.0000859600000000 ] - [ -0.0003356000000000, 0.0001222800000000, -0.0000793800000000 ] - [ -0.0003693100000000, -0.0005357500000000, -0.0001322300000000 ] - [ 0.0027442700000000, -0.0002995700000000, -0.0011581300000000 ] - [ 0.0244668000000000, -0.0611014100000000, -0.0513030900000000 ] - [ -0.0004212200000000, 0.0000105200000000, -0.0000577100000000 ] - [ -0.0006001300000000, 0.0000572800000000, -0.0000609400000000 ] - [ 0.0009303100000000, 0.0093060700000000, 0.0004085400000000 ] - [ -0.0032259600000000, 0.0026705100000000, 0.0008135800000000 ] - [ -0.0006004100000000, 0.0004399900000000, -0.0000003400000000 ] - [ -0.0005821200000000, -0.0004624600000000, -0.0000704600000000 ] - [ -0.0030063000000000, 0.0000521300000000, 0.0002688600000000 ] - [ 0.0043035200000000, -0.0122849000000000, -0.0011922400000000 ] - [ -0.0009365100000000, 0.0000124600000000, -0.0000349400000000 ] - [ -0.0009325200000000, -0.0000846900000000, -0.0000672700000000 ] - [ 0.0046543200000000, 0.0124224300000000, -0.0001448000000000 ] - [ 0.0107482900000000, -0.0253362900000000, -0.0163452000000000 ] - [ -0.0001460900000000, 0.0000453600000000, 0.0001369800000000 ] - [ -0.0013512900000000, -0.0001597700000000, 0.0001603000000000 ] - [ -0.0033388700000000, 0.0077685900000000, 0.0000072300000000 ] - [ -0.0022135900000000, -0.0031671200000000, -0.0001561600000000 ] - [ 0.0012445400000000, 0.0011858500000000, 0.0000509300000000 ] - [ -0.0004231600000000, -0.0003388900000000, -0.0001636200000000 ] - [ -0.0008880600000000, 0.0009041500000000, -0.0002619200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0050890500000000, -0.0030157800000000, 0.0027529300000000 ] - [ -0.0005554200000000, -0.0004600200000000, 0.0000399000000000 ] - [ -0.0000320900000000, -0.0001137000000000, 0.0000233800000000 ] - [ -0.0007085200000000, 0.0013584400000000, 0.0000689100000000 ] - [ 0.0001848600000000, -0.0000736600000000, 0.0002635600000000 ] - [ -0.0007241100000000, -0.0012300100000000, -0.0004627200000000 ] - [ 0.0003301300000000, -0.0000844200000000, 0.0000873000000000 ] - [ -0.0007279400000000, 0.0004596700000000, -0.0001276800000000 ] - [ 0.0000563100000000, -0.0004696700000000, -0.0006235500000000 ] - [ -0.0004623000000000, 0.0000399300000000, 0.0001270600000000 ] - [ -0.0003762400000000, 0.0000409700000000, -0.0000022700000000 ] - [ 0.0008056000000000, -0.0006649700000000, 0.0008212000000000 ] - [ 0.0003215000000000, 0.0009868200000000, 0.0022832200000000 ] - [ -0.0003453700000000, 0.0000573400000000, 0.0000615000000000 ] - [ -0.0004284000000000, 0.0000611900000000, 0.0000350200000000 ] - [ 0.0009764100000000, -0.0005420200000000, -0.0014189400000000 ] - [ 0.0030267300000000, 0.0051471600000000, 0.0011733500000000 ] - [ -0.0006492500000000, 0.0001567800000000, -0.0000167700000000 ] - [ -0.0000660000000000, -0.0000614800000000, 0.0000196000000000 ] - [ -0.0025554500000000, 0.0202117800000000, 0.0117631300000000 ] - [ 0.0017039500000000, -0.0011580700000000, -0.0009542600000000 ] - [ -0.0154745100000000, 0.0077545400000000, 0.0014560600000000 ] - [ -0.0002922700000000, -0.0002758500000000, -0.0003523200000000 ] - [ 0.0023150800000000, 0.0059612900000000, 0.0003138000000000 ] - [ -0.0045010500000000, -0.0048320600000000, 0.0500982300000000 ] - [ -0.0001882500000000, -0.0000390800000000, -0.0002578800000000 ] - [ -0.0004707900000000, -0.0001254300000000, -0.0002438900000000 ] - [ 0.0011557200000000, 0.0018655100000000, -0.0019893000000000 ] - [ 0.1097507300000000, -0.1019378900000000, -0.2564397400000000 ] - [ -0.0004983100000000, -0.0001130000000000, 0.0000454300000000 ] - [ -0.0001890000000000, -0.0002284300000000, 0.0001503900000000 ] - [ 0.0008769200000000, 0.0029952200000000, 0.0023943800000000 ] - [ 0.0006087400000000, -0.0017184600000000, -0.0002371800000000 ] - [ -0.0003816500000000, 0.0000618000000000, -0.0001248900000000 ] - [ -0.0006129200000000, 0.0005673600000000, -0.0002235300000000 ] - [ 0.0009981800000000, 0.0008222800000000, 0.0000471400000000 ] - [ -0.0011609700000000, 0.0005534200000000, -0.0004612300000000 ] - [ -0.0001554900000000, -0.0001591100000000, 0.0004085900000000 ] - [ -0.0003292300000000, -0.0001141500000000, 0.0002981600000000 ] - [ -0.0031873000000000, 0.0001858300000000, 0.0043537600000000 ] - [ -0.0004149100000000, 0.0003700300000000, 0.0004631300000000 ] - [ -0.0003705100000000, -0.0004598700000000, -0.0001067000000000 ] - [ -0.0001249200000000, -0.0004123800000000, -0.0000286300000000 ] - [ -0.0005090600000000, 0.0006905700000000, -0.0012567100000000 ] - [ 0.0015626800000000, -0.0020087100000000, 0.0017880900000000 ] - [ -0.0007303000000000, 0.0002170000000000, 0.0000174900000000 ] - [ 0.0000782800000000, 0.0002880700000000, 0.0000863600000000 ] - [ -0.0003833800000000, -0.0002911200000000, -0.0002625400000000 ] - [ 0.0010106800000000, 0.0002476200000000, 0.0001670200000000 ] - [ 0.0004328100000000, 0.0001031200000000, 0.0001921300000000 ] - [ 0.0000750000000000, -0.0001253000000000, 0.0001443400000000 ] - [ 0.0005004400000000, -0.0005860400000000, 0.0002400700000000 ] - [ 0.0002881400000000, 0.0021381900000000, 0.0003245300000000 ] - [ 0.0004095800000000, 0.0000834400000000, 0.0002121800000000 ] - [ 0.0000110000000000, 0.0001141000000000, 0.0001949900000000 ] - [ -0.0006595700000000, -0.0018676700000000, 0.0022270500000000 ] - [ -0.0042580200000000, -0.0004219800000000, -0.0001944600000000 ] - [ 0.0003914700000000, 0.0003212800000000, 0.0000200800000000 ] - [ -0.0000090500000000, 0.0002510800000000, 0.0000319200000000 ] - [ -0.0000230000000000, -0.0006349000000000, 0.0000095100000000 ] - [ 0.0001338800000000, -0.0002634300000000, -0.0005631400000000 ] - [ 0.0005057300000000, -0.0001194400000000, -0.0000832900000000 ] - [ 0.0003192700000000, 0.0001741600000000, -0.0000518000000000 ] - [ 0.0005786600000000, 0.0036457400000000, 0.0007555800000000 ] - [ -0.0651143500000000, 0.0643961600000000, 0.1657823400000000 ] - [ 0.0005100000000000, 0.0000647400000000, -0.0000538000000000 ] - [ 0.0003706800000000, 0.0000207500000000, -0.0000644100000000 ] - [ -0.0023217500000000, -0.0032488300000000, -0.0006168300000000 ] - [ -0.0027193200000000, -0.0016736600000000, -0.0014741000000000 ] - [ 0.0004245500000000, -0.0005259800000000, -0.0000562800000000 ] - [ 0.0004743800000000, -0.0000828100000000, -0.0000333200000000 ] - [ 0.0002408200000000, 0.0009906700000000, 0.0007675800000000 ] - [ -0.0016823500000000, 0.0015942400000000, 0.0013871400000000 ] - [ 0.0006831200000000, -0.0000234500000000, -0.0000807500000000 ] - [ 0.0008990000000000, -0.0000718400000000, -0.0000370400000000 ] - [ -0.0044717700000000, -0.0054698100000000, 0.0000987900000000 ] - [ -0.0170026200000000, 0.0166570200000000, 0.0147566300000000 ] - [ 0.0011789500000000, -0.0001077600000000, 0.0001592400000000 ] - [ 0.0001475000000000, -0.0000674100000000, 0.0001424600000000 ] - [ 0.0036295500000000, -0.0056618800000000, 0.0001469900000000 ] - [ 0.0017523200000000, 0.0002092100000000, 0.0001216700000000 ] - [ -0.0000234900000000, 0.0002057100000000, -0.0000887600000000 ] - [ -0.0001086200000000, 0.0000037300000000, -0.0001110100000000 ] - [ 0.0013695500000000, -0.0005324500000000, -0.0002235800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0056641900000000, 0.0035141200000000, -0.0026609100000000 ] - [ 0.0000188200000000, -0.0000126100000000, 0.0000323600000000 ] - [ 0.0005704700000000, -0.0003588100000000, 0.0000481900000000 ] - [ 0.0001721600000000, -0.0008885300000000, 0.0000047800000000 ] - [ 0.0006474700000000, 0.0006999200000000, -0.0003510600000000 ] - [ -0.0001092000000000, 0.0006123900000000, 0.0003807100000000 ] - [ 0.0005076700000000, -0.0005407000000000, -0.0001724600000000 ] - [ -0.0001023100000000, 0.0001630400000000, 0.0000424400000000 ] - [ 0.0001187700000000, 0.0003632500000000, 0.0008247900000000 ] - [ 0.0002845300000000, 0.0000647000000000, 0.0000632500000000 ] - [ 0.0005588200000000, 0.0000656400000000, 0.0001943500000000 ] - [ -0.0009846500000000, 0.0005581500000000, -0.0006295700000000 ] - [ -0.0003536000000000, -0.0011450800000000, -0.0022398600000000 ] - [ 0.0003788700000000, 0.0001061100000000, -0.0000164800000000 ] - [ 0.0003992800000000, 0.0001024100000000, 0.0000092600000000 ] - [ -0.0009542600000000, 0.0003670800000000, 0.0014653500000000 ] - [ -0.0024498900000000, -0.0052421100000000, -0.0011220200000000 ] - [ 0.0000512700000000, -0.0000573200000000, 0.0000210800000000 ] - [ 0.0006696400000000, 0.0001643200000000, -0.0000161400000000 ] - [ 0.0019125700000000, -0.0201185600000000, -0.0117543800000000 ] - [ -0.0024842100000000, 0.0007246400000000, 0.0010509000000000 ] - [ 0.0156334900000000, -0.0071762500000000, -0.0021941300000000 ] - [ 0.0004030200000000, -0.0003124300000000, -0.0002547200000000 ] - [ -0.0024505800000000, -0.0054287800000000, -0.0009286700000000 ] - [ 0.0040539600000000, 0.0048760600000000, -0.0501937800000000 ] - [ 0.0004546000000000, -0.0001231000000000, -0.0002431600000000 ] - [ 0.0002069600000000, -0.0000362700000000, -0.0002578800000000 ] - [ -0.0008977500000000, -0.0017118000000000, 0.0014924800000000 ] - [ -0.1046242800000000, 0.0980830100000000, 0.2477500100000000 ] - [ 0.0001776900000000, -0.0002162600000000, 0.0001461400000000 ] - [ 0.0005128300000000, -0.0000997000000000, 0.0000404700000000 ] - [ -0.0012136100000000, -0.0026654400000000, -0.0022068400000000 ] - [ -0.0008186900000000, 0.0013209700000000, -0.0000798300000000 ] - [ 0.0005895100000000, 0.0003447500000000, -0.0001871200000000 ] - [ 0.0004121500000000, -0.0001650800000000, -0.0000877400000000 ] - [ -0.0007964700000000, -0.0012310300000000, -0.0003621000000000 ] - [ 0.0008882800000000, -0.0002262200000000, 0.0012260100000000 ] - [ 0.0004339300000000, -0.0001715700000000, 0.0003554800000000 ] - [ 0.0000539600000000, -0.0002172700000000, 0.0004653600000000 ] - [ 0.0034789100000000, 0.0001495900000000, -0.0036224500000000 ] - [ 0.0005393000000000, 0.0005441800000000, -0.0006288700000000 ] - [ 0.0002502900000000, -0.0004581900000000, -0.0000598100000000 ] - [ 0.0002489800000000, -0.0005039700000000, -0.0001360900000000 ] - [ 0.0003866400000000, 0.0002374100000000, 0.0011126600000000 ] - [ -0.0008072600000000, 0.0015598800000000, -0.0016865800000000 ] - [ -0.0000263100000000, 0.0002409100000000, 0.0000875300000000 ] - [ 0.0006877000000000, 0.0001700300000000, 0.0000168400000000 ] - [ 0.0002778200000000, -0.0002963900000000, -0.0003448800000000 ] - [ -0.0014410000000000, -0.0003185600000000, 0.0002009000000000 ] - [ -0.0000142600000000, -0.0000360400000000, 0.0001765500000000 ] - [ -0.0004951600000000, 0.0001945100000000, 0.0002249800000000 ] - [ -0.0000872600000000, 0.0005254400000000, 0.0001279900000000 ] - [ -0.0007014300000000, -0.0023368900000000, 0.0001084700000000 ] - [ 0.0000011400000000, 0.0001117600000000, 0.0001972800000000 ] - [ -0.0004217200000000, 0.0000813300000000, 0.0002142900000000 ] - [ 0.0010761400000000, 0.0018362500000000, -0.0019055500000000 ] - [ 0.0038793400000000, -0.0001110100000000, 0.0002904200000000 ] - [ -0.0000012800000000, 0.0002158200000000, 0.0000379600000000 ] - [ -0.0003801800000000, 0.0002850800000000, 0.0000265300000000 ] - [ 0.0004146400000000, 0.0000993200000000, 0.0000485100000000 ] - [ -0.0003125500000000, 0.0003425700000000, 0.0003840200000000 ] - [ -0.0003306200000000, 0.0000419500000000, -0.0000951500000000 ] - [ -0.0004970600000000, -0.0002535600000000, -0.0001277400000000 ] - [ -0.0003909300000000, -0.0035742500000000, -0.0009493200000000 ] - [ 0.0599169300000000, -0.0598485400000000, -0.1567184600000000 ] - [ -0.0003609900000000, 0.0000123400000000, -0.0000664100000000 ] - [ -0.0005233800000000, 0.0000564300000000, -0.0000551800000000 ] - [ 0.0025037400000000, 0.0031719900000000, 0.0004910600000000 ] - [ 0.0027368600000000, 0.0021459100000000, 0.0013998000000000 ] - [ -0.0004250500000000, 0.0000650300000000, -0.0000313300000000 ] - [ -0.0004798700000000, -0.0003804400000000, -0.0000544900000000 ] - [ -0.0002440300000000, -0.0005267700000000, -0.0008565200000000 ] - [ 0.0016354200000000, -0.0016393700000000, -0.0016799300000000 ] - [ -0.0008038700000000, -0.0000127800000000, -0.0000339100000000 ] - [ -0.0007840700000000, 0.0000340400000000, -0.0000770600000000 ] - [ 0.0043532600000000, 0.0055142400000000, -0.0002000700000000 ] - [ 0.0164763500000000, -0.0171244300000000, -0.0148782800000000 ] - [ -0.0001003700000000, -0.0000763600000000, 0.0001334200000000 ] - [ -0.0012307400000000, -0.0001186700000000, 0.0001499600000000 ] - [ -0.0025422600000000, 0.0058829100000000, 0.0001547400000000 ] - [ -0.0023214300000000, -0.0003302300000000, -0.0004578900000000 ] - [ 0.0005874100000000, -0.0000893900000000, -0.0002419700000000 ] - [ -0.0004509600000000, 0.0001114200000000, -0.0002208300000000 ] - [ -0.0008122700000000, 0.0004198400000000, -0.0001097100000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023862900000000, 0.0006492900000000, 0.0000368400000000 ] - [ 0.0016536200000000, 0.0001578000000000, 0.0000078400000000 ] - [ 0.0014204400000000, 0.0018059700000000, -0.0000954300000000 ] - [ -0.0042808500000000, 0.0014266800000000, 0.0000304000000000 ] - [ 0.0023201800000000, 0.0001576000000000, -0.0002911100000000 ] - [ 0.0014708300000000, -0.0004298300000000, 0.0002043000000000 ] - [ -0.0044717700000000, 0.0009202400000000, 0.0020780700000000 ] - [ -0.0025630700000000, 0.0051897500000000, -0.0018604900000000 ] - [ -0.0087256400000000, -0.0021999500000000, 0.0008054500000000 ] - [ -0.0010003200000000, -0.0004317400000000, 0.0008839800000000 ] - [ 0.0019878600000000, -0.0002954100000000, 0.0000536600000000 ] - [ 0.0017280100000000, -0.0002481900000000, 0.0000638600000000 ] - [ -0.0076170700000000, -0.0046496600000000, -0.0027522500000000 ] - [ -0.0005085000000000, -0.0000377100000000, -0.0005455800000000 ] - [ 0.0019894400000000, -0.0002914500000000, 0.0003599400000000 ] - [ 0.0019983300000000, -0.0002363600000000, -0.0002323000000000 ] - [ 0.0016065100000000, -0.0039208800000000, -0.0000387400000000 ] - [ 0.0011791200000000, -0.0001030000000000, 0.0000513300000000 ] - [ 0.0024982900000000, 0.0003327200000000, -0.0000833100000000 ] - [ 0.0014547200000000, 0.0014383800000000, -0.0007224300000000 ] - [ 0.0012474100000000, -0.0002917700000000, 0.0002331300000000 ] - [ 0.0002185900000000, 0.0005716500000000, 0.0005298700000000 ] - [ 0.0019251600000000, -0.0000181500000000, -0.0001096100000000 ] - [ 0.0012541700000000, 0.0001106600000000, -0.0005868300000000 ] - [ 0.0019908500000000, -0.0008211000000000, -0.0012943900000000 ] - [ 0.0017951100000000, -0.0006774600000000, -0.0004712100000000 ] - [ 0.0019350200000000, 0.0005872200000000, -0.0001133600000000 ] - [ 0.0010500200000000, 0.0009112000000000, 0.0005579200000000 ] - [ 0.0031278600000000, -0.0000884000000000, 0.0008155700000000 ] - [ 0.0018048100000000, -0.0007591700000000, 0.0005798800000000 ] - [ 0.0022937300000000, 0.0007593000000000, -0.0004164100000000 ] - [ 0.0000688800000000, 0.0012900700000000, -0.0008109300000000 ] - [ -0.1199824400000000, -0.1128664400000000, -0.0030104900000000 ] - [ 0.0002072800000000, -0.0035254600000000, -0.0000113100000000 ] - [ 0.0018335200000000, -0.0002834000000000, -0.0000697600000000 ] - [ 0.0019400500000000, -0.0007290700000000, -0.0002386200000000 ] - [ -0.0124368600000000, 0.0038278300000000, 0.0019759500000000 ] - [ 0.0074313900000000, 0.0023558700000000, 0.0035293400000000 ] - [ 0.0017009100000000, 0.0001441800000000, 0.0003006000000000 ] - [ 0.0019935400000000, 0.0003816900000000, 0.0004330100000000 ] - [ -0.0123290000000000, 0.0008197400000000, 0.0002034400000000 ] - [ 0.0049662600000000, 0.0020910900000000, -0.0025497800000000 ] - [ 0.0020357400000000, -0.0000624700000000, 0.0001405700000000 ] - [ 0.0019325500000000, 0.0007400200000000, -0.0002588100000000 ] - [ 0.0237482300000000, 0.0224159600000000, -0.0028285300000000 ] - [ 0.0021315000000000, -0.0014942000000000, 0.0004400000000000 ] - [ 0.0021769500000000, 0.0004459400000000, -0.0000906500000000 ] - [ 0.0023420300000000, -0.0012841500000000, -0.0003890500000000 ] - [ 0.0073530400000000, 0.0005716900000000, -0.0001356600000000 ] - [ -0.0020471200000000, 0.0039455400000000, 0.0001664300000000 ] - [ -0.0013812600000000, 0.0000620400000000, 0.0001889800000000 ] - [ -0.0009006000000000, -0.0000049000000000, 0.0001818100000000 ] - [ 0.0006017800000000, 0.0003438600000000, 0.0001805100000000 ] - [ -0.0005707500000000, -0.0000048000000000, 0.0001897400000000 ] - [ -0.0014907400000000, 0.0001240800000000, 0.0002518400000000 ] - [ -0.0023242700000000, -0.0003751500000000, -0.0001542100000000 ] - [ -0.0015111900000000, -0.0003157100000000, -0.0000434800000000 ] - [ -0.0009764900000000, 0.0002641500000000, 0.0000615400000000 ] - [ -0.0003682400000000, -0.0009063600000000, 0.0000148700000000 ] - [ 0.0025661300000000, -0.0007706700000000, -0.0000382800000000 ] - [ 0.0068150600000000, 0.0005018600000000, 0.0006384500000000 ] - [ 0.0009882200000000, -0.0013878200000000, 0.0000702600000000 ] - [ -0.0025584100000000, 0.0000668200000000, -0.0000616800000000 ] - [ -0.0024654000000000, -0.0000820900000000, -0.0001057200000000 ] - [ -0.0020110000000000, 0.0001108800000000, 0.0003556800000000 ] - [ -0.0026785400000000, 0.0005858200000000, -0.0000361100000000 ] - [ -0.0024275200000000, -0.0006610800000000, 0.0000572400000000 ] - [ -0.0013115800000000, -0.0000857700000000, 0.0005620900000000 ] - [ -0.0022431300000000, 0.0003682000000000, -0.0001335300000000 ] - [ -0.0023751100000000, -0.0002727400000000, 0.0000471100000000 ] - [ -0.0034346200000000, 0.0039355100000000, -0.0015568500000000 ] - [ 0.0845289800000000, 0.0762616200000000, 0.0027548300000000 ] - [ 0.0108995000000000, 0.0117023400000000, -0.0010953800000000 ] - [ -0.0025169200000000, 0.0020948800000000, -0.0000852700000000 ] - [ -0.0041183400000000, -0.0001198000000000, -0.0001542700000000 ] - [ -0.0034040200000000, -0.0006250700000000, -0.0000087800000000 ] - [ -0.0050217000000000, 0.0012196300000000, 0.0003609700000000 ] - [ -0.0033335500000000, -0.0000256200000000, 0.0000732200000000 ] - [ -0.0069231300000000, -0.0014098000000000, 0.0005084400000000 ] - [ 0.0062505300000000, -0.0057150100000000, 0.0026995200000000 ] - [ -0.0044009000000000, -0.0000043700000000, -0.0000471200000000 ] - [ -0.0037382900000000, 0.0000126400000000, -0.0002966800000000 ] - [ 0.0152722400000000, -0.0036266600000000, 0.0000163400000000 ] - [ 0.0083276900000000, 0.0004364600000000, 0.0001295700000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018485400000000, -0.0001750000000000, 0.0000354800000000 ] - [ -0.0021923100000000, -0.0006320000000000, 0.0000651500000000 ] - [ -0.0008784800000000, -0.0022901100000000, 0.0001692800000000 ] - [ 0.0037364500000000, -0.0009763600000000, 0.0000449400000000 ] - [ -0.0014873900000000, 0.0004666800000000, 0.0002049100000000 ] - [ -0.0023072000000000, -0.0001929400000000, -0.0002895700000000 ] - [ 0.0053271600000000, -0.0015634500000000, -0.0021789900000000 ] - [ 0.0017537500000000, -0.0046150100000000, 0.0017925000000000 ] - [ 0.0088879100000000, 0.0021422000000000, -0.0006366300000000 ] - [ 0.0008396300000000, 0.0005380900000000, -0.0007003100000000 ] - [ -0.0018080700000000, 0.0004022500000000, 0.0001395300000000 ] - [ -0.0019088300000000, 0.0001423200000000, 0.0001291200000000 ] - [ 0.0075529500000000, 0.0045076900000000, 0.0027897200000000 ] - [ 0.0005567900000000, 0.0002017100000000, 0.0005946000000000 ] - [ -0.0020212600000000, 0.0004553300000000, -0.0003153500000000 ] - [ -0.0019661400000000, 0.0000729500000000, 0.0002762700000000 ] - [ -0.0009950700000000, 0.0037602900000000, 0.0000430200000000 ] - [ -0.0017764300000000, 0.0002009600000000, -0.0000463800000000 ] - [ -0.0018982700000000, -0.0002290800000000, 0.0000872100000000 ] - [ -0.0020675900000000, -0.0015309500000000, 0.0007207800000000 ] - [ -0.0020066600000000, -0.0001687800000000, -0.0001268000000000 ] - [ -0.0001496100000000, 0.0000390600000000, -0.0011231100000000 ] - [ -0.0018155000000000, -0.0005716900000000, -0.0004967100000000 ] - [ -0.0013690500000000, 0.0004705700000000, -0.0000208000000000 ] - [ -0.0022504100000000, 0.0009879700000000, 0.0007763400000000 ] - [ -0.0015288200000000, 0.0005175800000000, -0.0000286200000000 ] - [ -0.0022036900000000, -0.0007519900000000, -0.0003894400000000 ] - [ -0.0007949400000000, -0.0007537900000000, -0.0010510400000000 ] - [ -0.0027961000000000, 0.0004314400000000, -0.0006079500000000 ] - [ -0.0021272800000000, 0.0004313000000000, -0.0003890300000000 ] - [ -0.0019742000000000, -0.0010922000000000, 0.0006093200000000 ] - [ -0.0004095800000000, -0.0009669100000000, 0.0009873100000000 ] - [ 0.1189125300000000, 0.1106357900000000, 0.0025483300000000 ] - [ 0.0000217200000000, 0.0039584300000000, -0.0003006700000000 ] - [ -0.0020363100000000, 0.0006852400000000, -0.0002416800000000 ] - [ -0.0017368000000000, 0.0003244200000000, -0.0000730100000000 ] - [ 0.0120609800000000, -0.0036588400000000, -0.0013133700000000 ] - [ -0.0072260100000000, -0.0027118100000000, -0.0028087200000000 ] - [ -0.0019760900000000, -0.0004736700000000, 0.0004607500000000 ] - [ -0.0017190900000000, -0.0000540300000000, 0.0003266100000000 ] - [ 0.0123803000000000, -0.0000921400000000, -0.0002880100000000 ] - [ -0.0051301200000000, -0.0030312500000000, 0.0024192900000000 ] - [ -0.0019115200000000, -0.0008526300000000, -0.0003045000000000 ] - [ -0.0020580500000000, 0.0001725400000000, 0.0000976500000000 ] - [ -0.0225440800000000, -0.0224496400000000, 0.0028615400000000 ] - [ -0.0028934200000000, 0.0019677700000000, -0.0003361400000000 ] - [ -0.0014130600000000, 0.0000123400000000, 0.0001945700000000 ] - [ -0.0024533300000000, 0.0007026500000000, -0.0002190800000000 ] - [ -0.0077903600000000, -0.0006587500000000, 0.0005042700000000 ] - [ 0.0023139600000000, -0.0038210400000000, 0.0002021900000000 ] - [ 0.0009618900000000, 0.0000062900000000, 0.0001803300000000 ] - [ 0.0013207300000000, -0.0000621900000000, 0.0001876400000000 ] - [ -0.0010024000000000, -0.0005329000000000, 0.0002274300000000 ] - [ 0.0009782100000000, 0.0002016000000000, 0.0002208700000000 ] - [ 0.0010810400000000, 0.0000710400000000, 0.0001582700000000 ] - [ 0.0027330600000000, 0.0001768800000000, 0.0005635100000000 ] - [ 0.0011231800000000, -0.0002236000000000, 0.0001008200000000 ] - [ 0.0013652700000000, 0.0002751300000000, -0.0000044500000000 ] - [ -0.0000232000000000, 0.0014531000000000, 0.0000426400000000 ] - [ -0.0021659300000000, 0.0002488500000000, 0.0000963500000000 ] - [ -0.0070344800000000, -0.0004151400000000, -0.0008072400000000 ] - [ -0.0008267300000000, 0.0013257100000000, -0.0002492400000000 ] - [ 0.0023798100000000, -0.0001444200000000, -0.0001158700000000 ] - [ 0.0026424400000000, 0.0001579100000000, -0.0000713300000000 ] - [ 0.0018809200000000, -0.0002019800000000, -0.0004726400000000 ] - [ 0.0028324700000000, -0.0005134100000000, -0.0000848400000000 ] - [ 0.0022750100000000, 0.0007430200000000, -0.0001779000000000 ] - [ 0.0014694500000000, 0.0000247800000000, -0.0006736800000000 ] - [ 0.0022400000000000, 0.0000969600000000, 0.0000444300000000 ] - [ 0.0023767900000000, -0.0001890300000000, -0.0001362000000000 ] - [ 0.0034221900000000, -0.0044425300000000, 0.0014754500000000 ] - [ -0.0842639800000000, -0.0734132300000000, -0.0027228100000000 ] - [ -0.0099706700000000, -0.0119858300000000, 0.0011091500000000 ] - [ 0.0023861000000000, -0.0021433100000000, -0.0000268100000000 ] - [ 0.0042367800000000, 0.0000828500000000, 0.0000408000000000 ] - [ 0.0032957000000000, 0.0006604200000000, -0.0001047300000000 ] - [ 0.0039291900000000, -0.0010266700000000, -0.0000657900000000 ] - [ 0.0044114400000000, -0.0001589600000000, 0.0002205900000000 ] - [ 0.0058614600000000, 0.0012311000000000, -0.0002168200000000 ] - [ -0.0050426300000000, 0.0058843800000000, -0.0023847600000000 ] - [ 0.0038392900000000, -0.0001117400000000, -0.0002857100000000 ] - [ 0.0042985300000000, 0.0001024400000000, -0.0000358100000000 ] - [ -0.0160083600000000, 0.0034130400000000, -0.0003513000000000 ] - [ -0.0078770500000000, -0.0005040400000000, -0.0004751400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006177400000000, -0.0000659200000000, 0.0000767400000000 ] - [ 0.0001980600000000, -0.0001930200000000, 0.0000315500000000 ] - [ 0.0043609300000000, 0.0036609100000000, -0.0003111400000000 ] - [ -0.0014058900000000, 0.0123261700000000, 0.0005624400000000 ] - [ 0.0009016400000000, 0.0001864900000000, -0.0000898900000000 ] - [ 0.0001196800000000, -0.0004819900000000, -0.0000063500000000 ] - [ 0.0008712300000000, 0.0061457200000000, 0.0028327300000000 ] - [ -0.0015206100000000, 0.0105171200000000, -0.0027132900000000 ] - [ -0.0042704400000000, 0.0100832100000000, -0.0091170100000000 ] - [ -0.0020461100000000, 0.0021578700000000, 0.0015127800000000 ] - [ 0.0005850400000000, -0.0000872700000000, 0.0000600100000000 ] - [ 0.0006041700000000, -0.0002417100000000, 0.0001859700000000 ] - [ -0.0055533200000000, 0.0116419300000000, 0.0059383500000000 ] - [ -0.0010666000000000, 0.0016842400000000, -0.0011971800000000 ] - [ 0.0005187100000000, -0.0000696800000000, 0.0001327000000000 ] - [ 0.0008256800000000, -0.0003111100000000, -0.0001881900000000 ] - [ -0.0016729500000000, 0.0036843600000000, 0.0001934900000000 ] - [ -0.0000551300000000, 0.0005419300000000, 0.0000595100000000 ] - [ 0.0008470300000000, -0.0002458100000000, 0.0000274900000000 ] - [ 0.0017267300000000, -0.0019836300000000, -0.0008239000000000 ] - [ -0.0001053900000000, 0.0003778800000000, -0.0000530400000000 ] - [ 0.0004868200000000, -0.0054055100000000, -0.0013827800000000 ] - [ 0.0006462400000000, -0.0000626500000000, -0.0002761800000000 ] - [ 0.0005811000000000, 0.0013941000000000, -0.0001472300000000 ] - [ -0.0012433100000000, -0.0018579400000000, 0.0014126100000000 ] - [ 0.0002829000000000, -0.0002539600000000, -0.0003769300000000 ] - [ 0.0006967700000000, 0.0001520600000000, -0.0001035200000000 ] - [ 0.0021955800000000, 0.0025908500000000, -0.0009391700000000 ] - [ -0.0009949400000000, -0.0016994600000000, -0.0014285400000000 ] - [ 0.0000595900000000, -0.0003148800000000, 0.0002294400000000 ] - [ 0.0011001300000000, 0.0001660900000000, -0.0002760200000000 ] - [ 0.0017242000000000, 0.0033728500000000, 0.0011178700000000 ] - [ -0.1149571200000000, -0.2882745400000000, -0.0055218500000000 ] - [ -0.0036341300000000, -0.0033717100000000, 0.0001787400000000 ] - [ 0.0003845800000000, 0.0001419500000000, -0.0001332000000000 ] - [ 0.0006205700000000, -0.0000891800000000, -0.0001914300000000 ] - [ 0.0066644900000000, 0.0236409100000000, 0.0191782200000000 ] - [ 0.0044238100000000, -0.0033968100000000, 0.0026764800000000 ] - [ 0.0003451900000000, -0.0000448200000000, 0.0003433500000000 ] - [ 0.0004451000000000, 0.0003308300000000, 0.0004767300000000 ] - [ 0.0056344500000000, 0.0272275200000000, -0.0154141700000000 ] - [ 0.0042596800000000, -0.0032732200000000, -0.0029844900000000 ] - [ 0.0005861200000000, -0.0003096400000000, 0.0000030100000000 ] - [ 0.0002496200000000, 0.0006194800000000, -0.0002032400000000 ] - [ 0.0189954400000000, -0.0006056000000000, -0.0011966600000000 ] - [ 0.0002960700000000, -0.0018039100000000, 0.0000481200000000 ] - [ 0.0008622400000000, 0.0003829100000000, 0.0000312900000000 ] - [ -0.0001712400000000, -0.0012232000000000, -0.0002337300000000 ] - [ 0.0008827400000000, 0.0077801500000000, -0.0001424200000000 ] - [ 0.0046320600000000, 0.0022057300000000, 0.0002430600000000 ] - [ -0.0005075500000000, 0.0000132000000000, 0.0001859100000000 ] - [ -0.0001128100000000, -0.0001054500000000, 0.0001798000000000 ] - [ 0.0009519900000000, -0.0011067400000000, 0.0000714800000000 ] - [ -0.0000883500000000, -0.0002668700000000, 0.0002441300000000 ] - [ -0.0005278900000000, 0.0002121100000000, 0.0002227400000000 ] - [ -0.0014804500000000, 0.0005020000000000, -0.0001178700000000 ] - [ -0.0004120000000000, -0.0000414400000000, 0.0000628600000000 ] - [ -0.0000859300000000, 0.0002931300000000, 0.0000345300000000 ] - [ -0.0007117700000000, -0.0006166200000000, -0.0000961200000000 ] - [ 0.0004322500000000, -0.0051954500000000, 0.0000064800000000 ] - [ -0.0006980400000000, -0.0111741400000000, -0.0022949000000000 ] - [ 0.0000374200000000, -0.0055634500000000, -0.0001811000000000 ] - [ -0.0007204200000000, 0.0000844800000000, -0.0000927400000000 ] - [ -0.0006640700000000, 0.0004563200000000, -0.0000232600000000 ] - [ -0.0015961800000000, 0.0039948400000000, 0.0009205300000000 ] - [ -0.0001922100000000, 0.0004191100000000, -0.0001926700000000 ] - [ -0.0008659000000000, -0.0005826500000000, 0.0000700500000000 ] - [ -0.0003590200000000, -0.0043374400000000, -0.0006393200000000 ] - [ -0.0004664600000000, -0.0000450200000000, -0.0000599900000000 ] - [ -0.0006342300000000, -0.0003400100000000, -0.0000209600000000 ] - [ 0.0000984600000000, 0.0070594900000000, -0.0004399000000000 ] - [ 0.0743939700000000, 0.1894042200000000, 0.0063121700000000 ] - [ 0.0088747800000000, 0.0149221700000000, 0.0005162700000000 ] - [ 0.0013161000000000, 0.0003293500000000, 0.0000298400000000 ] - [ -0.0012397200000000, 0.0000178300000000, -0.0000744500000000 ] - [ -0.0023821900000000, -0.0006954800000000, -0.0001279000000000 ] - [ 0.0001215300000000, -0.0003078500000000, 0.0000551800000000 ] - [ -0.0003134900000000, -0.0002695800000000, 0.0001315700000000 ] - [ -0.0037287400000000, 0.0010784400000000, 0.0002968500000000 ] - [ -0.0108086800000000, -0.0033428200000000, 0.0013712200000000 ] - [ -0.0012057900000000, 0.0000636100000000, -0.0001521000000000 ] - [ -0.0009105000000000, 0.0000535500000000, -0.0001952500000000 ] - [ 0.0007612500000000, 0.0106991100000000, -0.0000474400000000 ] - [ 0.0131896800000000, -0.0129580400000000, 0.0019432500000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001014300000000, 0.0005195500000000, -0.0000085600000000 ] - [ -0.0007323800000000, -0.0002687500000000, 0.0000374000000000 ] - [ -0.0039143200000000, -0.0041369200000000, 0.0003791200000000 ] - [ 0.0009056200000000, -0.0118933000000000, -0.0005069600000000 ] - [ -0.0000664000000000, 0.0004333500000000, -0.0000001700000000 ] - [ -0.0009734900000000, -0.0001359700000000, -0.0000847600000000 ] - [ -0.0000029300000000, -0.0067779400000000, -0.0029549700000000 ] - [ 0.0006904200000000, -0.0099639500000000, 0.0026430800000000 ] - [ 0.0045324000000000, -0.0102227800000000, 0.0094045200000000 ] - [ 0.0018529900000000, -0.0020803400000000, -0.0013385900000000 ] - [ -0.0004080900000000, 0.0001882400000000, 0.0001266500000000 ] - [ -0.0007929400000000, 0.0001410300000000, 0.0000022600000000 ] - [ 0.0056303900000000, -0.0118946500000000, -0.0059692300000000 ] - [ 0.0010822200000000, -0.0015403700000000, 0.0012515000000000 ] - [ -0.0005539100000000, 0.0002295400000000, -0.0000895500000000 ] - [ -0.0008002400000000, 0.0001492100000000, 0.0002283100000000 ] - [ 0.0022628800000000, -0.0037543600000000, -0.0001860000000000 ] - [ -0.0005482100000000, -0.0004460300000000, -0.0000540300000000 ] - [ -0.0002520200000000, 0.0003498400000000, -0.0000222300000000 ] - [ -0.0023354100000000, 0.0018643300000000, 0.0008319500000000 ] - [ -0.0006370700000000, -0.0008318800000000, 0.0001596600000000 ] - [ -0.0004283100000000, 0.0059865600000000, 0.0007742400000000 ] - [ -0.0005323100000000, -0.0005225900000000, -0.0003256300000000 ] - [ -0.0007051500000000, -0.0008093900000000, -0.0004517900000000 ] - [ 0.0009688400000000, 0.0020259300000000, -0.0019120500000000 ] - [ -0.0000245300000000, 0.0000916100000000, -0.0001237900000000 ] - [ -0.0009692500000000, -0.0003121000000000, -0.0003982900000000 ] - [ -0.0019308200000000, -0.0024335800000000, 0.0004292900000000 ] - [ 0.0013127900000000, 0.0020338800000000, 0.0016239600000000 ] - [ -0.0003907300000000, -0.0000104900000000, -0.0000433000000000 ] - [ -0.0007821600000000, -0.0004877200000000, 0.0004653800000000 ] - [ -0.0020482100000000, -0.0030582900000000, -0.0009260900000000 ] - [ 0.1086548300000000, 0.2778076700000000, 0.0045433600000000 ] - [ 0.0038653000000000, 0.0037765500000000, -0.0004935300000000 ] - [ -0.0005971300000000, 0.0002791000000000, -0.0001794400000000 ] - [ -0.0004173900000000, -0.0003329900000000, -0.0001209700000000 ] - [ -0.0068015100000000, -0.0230811200000000, -0.0181393800000000 ] - [ -0.0041396700000000, 0.0031030900000000, -0.0018975900000000 ] - [ -0.0006284200000000, -0.0003009100000000, 0.0004395200000000 ] - [ -0.0001763800000000, 0.0000100800000000, 0.0003010200000000 ] - [ -0.0053874400000000, -0.0259830300000000, 0.0150210400000000 ] - [ -0.0043798400000000, 0.0024052700000000, 0.0028341200000000 ] - [ -0.0004656000000000, -0.0006072800000000, -0.0001653200000000 ] - [ -0.0003863500000000, 0.0002909600000000, 0.0000469000000000 ] - [ -0.0182809400000000, -0.0000001100000000, 0.0013123400000000 ] - [ -0.0010303400000000, 0.0022605400000000, 0.0000600800000000 ] - [ -0.0001215100000000, 0.0000730000000000, 0.0000744600000000 ] - [ 0.0000533200000000, 0.0006379600000000, -0.0003673200000000 ] - [ -0.0013177900000000, -0.0078487800000000, 0.0005197800000000 ] - [ -0.0042546400000000, -0.0020918400000000, 0.0001243000000000 ] - [ 0.0000879500000000, 0.0000535200000000, 0.0001836100000000 ] - [ 0.0005389300000000, 0.0000391500000000, 0.0001891400000000 ] - [ -0.0013772900000000, 0.0009077300000000, 0.0003400200000000 ] - [ 0.0005090000000000, 0.0004654500000000, 0.0001658400000000 ] - [ 0.0001194500000000, -0.0000153100000000, 0.0001877800000000 ] - [ 0.0019090500000000, -0.0006972300000000, 0.0005306100000000 ] - [ 0.0000319200000000, -0.0004963400000000, -0.0000045900000000 ] - [ 0.0004777000000000, 0.0002455900000000, 0.0000232400000000 ] - [ 0.0003335600000000, 0.0011494500000000, 0.0001562400000000 ] - [ -0.0000631500000000, 0.0046639900000000, 0.0000487400000000 ] - [ 0.0004963900000000, 0.0112443800000000, 0.0021506200000000 ] - [ 0.0001726600000000, 0.0055204600000000, 0.0000001300000000 ] - [ 0.0005387000000000, -0.0001667500000000, -0.0000872200000000 ] - [ 0.0008625900000000, -0.0003731500000000, -0.0001559700000000 ] - [ 0.0014705500000000, -0.0040778000000000, -0.0010400800000000 ] - [ 0.0003574200000000, -0.0003429400000000, 0.0000721300000000 ] - [ 0.0007151500000000, 0.0006567800000000, -0.0001915400000000 ] - [ 0.0005212100000000, 0.0042620200000000, 0.0005123100000000 ] - [ 0.0004904100000000, 0.0005069800000000, -0.0000266400000000 ] - [ 0.0006249200000000, -0.0001214900000000, -0.0000663000000000 ] - [ -0.0001092600000000, -0.0075355600000000, 0.0003535000000000 ] - [ -0.0681071600000000, -0.1777574900000000, -0.0058678100000000 ] - [ -0.0085713100000000, -0.0151369500000000, -0.0005913500000000 ] - [ -0.0014019700000000, -0.0003464700000000, -0.0001438600000000 ] - [ 0.0013480600000000, -0.0000561900000000, -0.0000391600000000 ] - [ 0.0022966200000000, 0.0007356400000000, 0.0000148400000000 ] - [ -0.0011622900000000, 0.0004855500000000, 0.0002332500000000 ] - [ 0.0013831100000000, 0.0000885400000000, 0.0001578800000000 ] - [ 0.0026837100000000, -0.0012881800000000, -0.0000098100000000 ] - [ 0.0118023600000000, 0.0035928500000000, -0.0010958200000000 ] - [ 0.0006585200000000, -0.0001867500000000, -0.0001802900000000 ] - [ 0.0014858100000000, 0.0000696100000000, -0.0001352200000000 ] - [ -0.0020132000000000, -0.0117883200000000, -0.0002871200000000 ] - [ -0.0126068800000000, 0.0128694000000000, -0.0022718100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003500800000000, 0.0002747700000000, 0.0000486400000000 ] - [ -0.0001830100000000, -0.0002133000000000, 0.0000330000000000 ] - [ 0.0002357500000000, -0.0001181500000000, -0.0000829500000000 ] - [ -0.0002813300000000, 0.0001764700000000, 0.0028476200000000 ] - [ 0.0005027400000000, 0.0003071000000000, -0.0000561300000000 ] - [ -0.0003443100000000, -0.0003099700000000, -0.0000335200000000 ] - [ 0.0003775500000000, -0.0001093300000000, 0.0005431000000000 ] - [ -0.0006579700000000, 0.0011237700000000, -0.0004664300000000 ] - [ 0.0012595500000000, -0.0082794000000000, 0.0053143600000000 ] - [ -0.0001431900000000, -0.0000975600000000, 0.0004141200000000 ] - [ 0.0001747400000000, 0.0000354700000000, 0.0000909300000000 ] - [ -0.0000194800000000, -0.0000525500000000, 0.0000915600000000 ] - [ -0.0018113300000000, 0.0055910100000000, 0.0014493400000000 ] - [ 0.0001126100000000, 0.0000666800000000, 0.0000312000000000 ] - [ 0.0000721300000000, 0.0000661600000000, 0.0000351700000000 ] - [ 0.0000877300000000, -0.0000817000000000, -0.0000001600000000 ] - [ 0.0005922300000000, -0.0008032500000000, -0.0000935200000000 ] - [ -0.0002384900000000, 0.0000519300000000, 0.0000070000000000 ] - [ 0.0004107700000000, 0.0000722300000000, 0.0000158100000000 ] - [ 0.0000910800000000, 0.0001341200000000, -0.0000999300000000 ] - [ -0.0002984400000000, -0.0002556700000000, 0.0000654300000000 ] - [ 0.0007439800000000, 0.0001837600000000, 0.0023936600000000 ] - [ 0.0001361900000000, -0.0002866200000000, -0.0002915400000000 ] - [ 0.0000047900000000, 0.0002053900000000, -0.0003360900000000 ] - [ 0.0003205100000000, 0.0002130400000000, -0.0008069000000000 ] - [ 0.0002164500000000, -0.0001175400000000, -0.0002777600000000 ] - [ -0.0000316200000000, -0.0000787500000000, -0.0002885000000000 ] - [ 0.0001288100000000, -0.0003108800000000, -0.0002253400000000 ] - [ 0.0000428500000000, 0.0003235300000000, 0.0000128400000000 ] - [ -0.0000714100000000, -0.0001895400000000, 0.0001256800000000 ] - [ 0.0002120000000000, -0.0000653400000000, 0.0000277300000000 ] - [ -0.0003173000000000, 0.0002874200000000, 0.0002994200000000 ] - [ -0.0026008800000000, -0.0048182600000000, -0.0458851700000000 ] - [ -0.0000517900000000, -0.0001157200000000, 0.0020845400000000 ] - [ -0.0000176700000000, 0.0001865900000000, -0.0001521700000000 ] - [ 0.0001849300000000, -0.0002461500000000, -0.0001604800000000 ] - [ 0.0046815900000000, 0.0220323700000000, 0.0081525900000000 ] - [ 0.0043630600000000, 0.0010959300000000, 0.0014040900000000 ] - [ -0.0000599100000000, -0.0001600600000000, 0.0003883400000000 ] - [ 0.0002273500000000, 0.0001748400000000, 0.0003903900000000 ] - [ -0.0032768600000000, -0.0168988500000000, 0.0025671700000000 ] - [ -0.0035656500000000, -0.0017892300000000, 0.0011948900000000 ] - [ 0.0001481500000000, -0.0004428600000000, -0.0000737300000000 ] - [ 0.0000375200000000, 0.0004688600000000, -0.0000779000000000 ] - [ -0.0039297100000000, -0.0020553500000000, -0.0082346900000000 ] - [ -0.0003910600000000, 0.0002498600000000, 0.0005508100000000 ] - [ 0.0004499800000000, 0.0002364700000000, 0.0000465000000000 ] - [ 0.0000925100000000, -0.0003856800000000, -0.0003320000000000 ] - [ 0.0000945000000000, 0.0002469900000000, -0.0106646900000000 ] - [ 0.0000692700000000, 0.0002368400000000, 0.0025789600000000 ] - [ -0.0002632800000000, 0.0000357300000000, 0.0001845000000000 ] - [ 0.0001628100000000, -0.0000274100000000, 0.0001833000000000 ] - [ -0.0001370000000000, -0.0000520600000000, 0.0000070200000000 ] - [ 0.0001744700000000, 0.0001009000000000, 0.0002068400000000 ] - [ -0.0002618700000000, 0.0001025000000000, 0.0002072400000000 ] - [ 0.0003544800000000, -0.0001703800000000, 0.0001470400000000 ] - [ -0.0002638700000000, -0.0002738300000000, 0.0000374000000000 ] - [ 0.0001438600000000, 0.0002679000000000, 0.0000305700000000 ] - [ -0.0001670900000000, 0.0002144700000000, -0.0001582200000000 ] - [ 0.0002870700000000, -0.0004080000000000, 0.0012183100000000 ] - [ -0.0001370000000000, -0.0000257500000000, -0.0061986100000000 ] - [ -0.0000552400000000, -0.0000336800000000, -0.0000839000000000 ] - [ -0.0002017600000000, -0.0000382700000000, -0.0000890600000000 ] - [ 0.0000043700000000, 0.0000274200000000, -0.0000971800000000 ] - [ 0.0000195900000000, -0.0002294800000000, 0.0004327200000000 ] - [ -0.0000720700000000, 0.0000621700000000, -0.0000678100000000 ] - [ -0.0001831900000000, 0.0000099800000000, -0.0000825600000000 ] - [ 0.0000085300000000, 0.0003582200000000, 0.0001481700000000 ] - [ -0.0000960300000000, 0.0002504200000000, -0.0000466000000000 ] - [ -0.0001107400000000, -0.0002288400000000, -0.0000388400000000 ] - [ -0.0000545800000000, -0.0002271200000000, -0.0042528700000000 ] - [ 0.0033761300000000, 0.0055443000000000, 0.0366226400000000 ] - [ -0.0006789700000000, 0.0008839700000000, 0.0080841700000000 ] - [ -0.0001529600000000, 0.0000906500000000, -0.0000504800000000 ] - [ -0.0001294100000000, -0.0000276200000000, -0.0000547900000000 ] - [ -0.0001244300000000, -0.0000453800000000, -0.0000509500000000 ] - [ -0.0008653100000000, 0.0001155700000000, 0.0000779000000000 ] - [ 0.0003613400000000, -0.0000841000000000, 0.0001420800000000 ] - [ -0.0006510100000000, -0.0002674900000000, 0.0012694600000000 ] - [ 0.0004520700000000, 0.0001073300000000, -0.0042418700000000 ] - [ -0.0004647200000000, -0.0000689900000000, -0.0001593700000000 ] - [ 0.0001138800000000, 0.0000621500000000, -0.0001690900000000 ] - [ -0.0001129400000000, -0.0014226700000000, 0.0073505100000000 ] - [ 0.0015948600000000, -0.0003625100000000, -0.0050729700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001750300000000, 0.0001839400000000, 0.0000195900000000 ] - [ -0.0003516600000000, -0.0002498100000000, 0.0000360800000000 ] - [ 0.0002949600000000, -0.0003410200000000, 0.0001498300000000 ] - [ -0.0002411000000000, 0.0002660900000000, -0.0027723800000000 ] - [ 0.0003355200000000, 0.0003137900000000, -0.0000339600000000 ] - [ -0.0005045800000000, -0.0003079600000000, -0.0000565300000000 ] - [ 0.0004748000000000, -0.0005188300000000, -0.0006292600000000 ] - [ -0.0001777700000000, -0.0004991500000000, 0.0003754700000000 ] - [ -0.0010463600000000, 0.0081075500000000, -0.0051427800000000 ] - [ -0.0000348000000000, 0.0001934800000000, -0.0002312800000000 ] - [ 0.0000054000000000, 0.0000633700000000, 0.0000938400000000 ] - [ -0.0001659500000000, -0.0000450200000000, 0.0000941100000000 ] - [ 0.0017910000000000, -0.0057751500000000, -0.0013898100000000 ] - [ -0.0000765200000000, 0.0000964300000000, 0.0000109800000000 ] - [ -0.0001061600000000, 0.0000943700000000, 0.0000073300000000 ] - [ -0.0000567400000000, -0.0000798300000000, 0.0000389900000000 ] - [ 0.0000063800000000, 0.0007020500000000, 0.0001002500000000 ] - [ -0.0003607500000000, 0.0000491900000000, -0.0000012000000000 ] - [ 0.0001889900000000, 0.0000352500000000, -0.0000121400000000 ] - [ -0.0006928300000000, -0.0002340400000000, 0.0001118900000000 ] - [ -0.0004401400000000, -0.0002011600000000, 0.0000427700000000 ] - [ -0.0005817100000000, 0.0004183600000000, -0.0029954600000000 ] - [ -0.0000162800000000, -0.0002990400000000, -0.0003104700000000 ] - [ -0.0001316000000000, 0.0003765100000000, -0.0002646800000000 ] - [ -0.0005781000000000, -0.0000499800000000, 0.0003116500000000 ] - [ 0.0000455800000000, -0.0000427800000000, -0.0002223800000000 ] - [ -0.0002379000000000, -0.0000852600000000, -0.0002136800000000 ] - [ 0.0001312200000000, 0.0004669500000000, -0.0002793600000000 ] - [ 0.0002875300000000, 0.0000023700000000, 0.0001705200000000 ] - [ -0.0002556800000000, -0.0001359900000000, 0.0000638200000000 ] - [ 0.0001081700000000, -0.0002626200000000, 0.0001636400000000 ] - [ -0.0000124100000000, 0.0000284800000000, -0.0001096900000000 ] - [ 0.0029494100000000, 0.0052391500000000, 0.0456084100000000 ] - [ 0.0002388500000000, 0.0005566500000000, -0.0023978200000000 ] - [ -0.0001909900000000, 0.0002331400000000, -0.0001599800000000 ] - [ 0.0000207600000000, -0.0001758400000000, -0.0001514800000000 ] - [ -0.0049307200000000, -0.0215095300000000, -0.0073667600000000 ] - [ -0.0041043200000000, -0.0014491900000000, -0.0006027500000000 ] - [ -0.0002206900000000, -0.0001843900000000, 0.0003961400000000 ] - [ 0.0000463300000000, 0.0001662200000000, 0.0003893100000000 ] - [ 0.0034055100000000, 0.0179088300000000, -0.0026947000000000 ] - [ 0.0034193700000000, 0.0008564500000000, -0.0013750000000000 ] - [ -0.0000236200000000, -0.0004730800000000, -0.0000900700000000 ] - [ -0.0001699800000000, 0.0004427200000000, -0.0000808200000000 ] - [ 0.0045659700000000, 0.0015275300000000, 0.0083757000000000 ] - [ -0.0003482600000000, 0.0002078600000000, -0.0004424400000000 ] - [ 0.0002915100000000, 0.0002209800000000, 0.0000598500000000 ] - [ -0.0002146600000000, -0.0001969900000000, -0.0002699300000000 ] - [ -0.0005163700000000, -0.0003135600000000, 0.0110555100000000 ] - [ 0.0003356700000000, -0.0001676400000000, -0.0022137700000000 ] - [ -0.0001581100000000, 0.0000315900000000, 0.0001841200000000 ] - [ 0.0002605700000000, -0.0000376600000000, 0.0001842400000000 ] - [ -0.0002755100000000, -0.0001427700000000, 0.0004036100000000 ] - [ 0.0002377300000000, 0.0000967200000000, 0.0002037400000000 ] - [ -0.0001425700000000, 0.0000976300000000, 0.0002041300000000 ] - [ 0.0000658700000000, -0.0000301900000000, 0.0002675500000000 ] - [ -0.0001199300000000, -0.0002622100000000, 0.0000212600000000 ] - [ 0.0002473400000000, 0.0002684400000000, 0.0000277700000000 ] - [ -0.0002199200000000, 0.0003232600000000, 0.0002167900000000 ] - [ 0.0000973300000000, -0.0001207100000000, -0.0011584900000000 ] - [ -0.0000624300000000, 0.0001327700000000, 0.0060137200000000 ] - [ 0.0002382400000000, -0.0000455400000000, -0.0000955200000000 ] - [ 0.0000154700000000, -0.0000433400000000, -0.0000902800000000 ] - [ 0.0001901100000000, 0.0000542400000000, -0.0000818900000000 ] - [ -0.0002032400000000, 0.0001494800000000, -0.0005636100000000 ] - [ 0.0002375200000000, 0.0000114900000000, -0.0000539500000000 ] - [ 0.0000249200000000, 0.0000670000000000, -0.0000388400000000 ] - [ 0.0001585500000000, -0.0004246300000000, -0.0002693400000000 ] - [ 0.0001153200000000, 0.0002136800000000, -0.0000413500000000 ] - [ 0.0000978800000000, -0.0002321200000000, -0.0000495500000000 ] - [ 0.0000948900000000, -0.0002268500000000, 0.0041645100000000 ] - [ -0.0039115700000000, -0.0060616600000000, -0.0368466300000000 ] - [ 0.0007408900000000, -0.0008993400000000, -0.0081827600000000 ] - [ 0.0000659800000000, -0.0001308000000000, -0.0000650900000000 ] - [ 0.0002298100000000, -0.0000068800000000, -0.0000595400000000 ] - [ 0.0000401700000000, 0.0000807200000000, -0.0000625400000000 ] - [ -0.0001869300000000, 0.0000719400000000, 0.0002098900000000 ] - [ 0.0007011100000000, -0.0000997600000000, 0.0001469200000000 ] - [ -0.0003958500000000, 0.0000848100000000, -0.0009801600000000 ] - [ 0.0005971500000000, 0.0000679800000000, 0.0045099000000000 ] - [ -0.0000900300000000, -0.0000545900000000, -0.0001710200000000 ] - [ 0.0004544400000000, 0.0000616800000000, -0.0001599300000000 ] - [ -0.0004154100000000, 0.0016093500000000, -0.0076918200000000 ] - [ -0.0010590700000000, 0.0002364100000000, 0.0047391100000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020422000000000, 0.0003611500000000, 0.0000838800000000 ] - [ 0.0016197900000000, 0.0001941500000000, 0.0000120600000000 ] - [ 0.0009634100000000, -0.0019724300000000, 0.0003054900000000 ] - [ -0.0088622900000000, 0.0050728100000000, 0.0017601700000000 ] - [ 0.0022185700000000, 0.0001356400000000, -0.0002707100000000 ] - [ 0.0014218300000000, -0.0005288800000000, 0.0001766800000000 ] - [ -0.0048523000000000, -0.0054040900000000, -0.0000675300000000 ] - [ -0.0006458700000000, -0.0053958300000000, 0.0017030800000000 ] - [ -0.0048512000000000, -0.0009730100000000, 0.0004629700000000 ] - [ 0.0034382400000000, -0.0002232500000000, -0.0022828200000000 ] - [ 0.0018566200000000, -0.0002651800000000, 0.0000679600000000 ] - [ 0.0018512400000000, -0.0004224900000000, 0.0001823800000000 ] - [ -0.0051001400000000, -0.0005372600000000, -0.0006824100000000 ] - [ 0.0019900100000000, -0.0009238700000000, 0.0001272600000000 ] - [ 0.0018467300000000, -0.0002488400000000, 0.0003250200000000 ] - [ 0.0021152300000000, -0.0004766500000000, -0.0003888200000000 ] - [ -0.0004176700000000, 0.0014796200000000, 0.0005391800000000 ] - [ 0.0017205500000000, -0.0007709000000000, 0.0000921900000000 ] - [ 0.0021607600000000, 0.0007163600000000, -0.0000994500000000 ] - [ 0.0029681900000000, -0.0010512500000000, -0.0008405500000000 ] - [ 0.0011449900000000, 0.0002802900000000, 0.0000866900000000 ] - [ 0.0021162000000000, -0.0063471000000000, -0.0001158000000000 ] - [ 0.0018027500000000, -0.0002605700000000, -0.0000690900000000 ] - [ 0.0018330600000000, 0.0011673200000000, -0.0002411300000000 ] - [ 0.0008593100000000, -0.0019420900000000, 0.0008221100000000 ] - [ 0.0020883700000000, -0.0003261600000000, -0.0001685300000000 ] - [ 0.0014399900000000, 0.0001142300000000, -0.0003232100000000 ] - [ 0.0029876400000000, 0.0021140500000000, -0.0003110600000000 ] - [ 0.0012873700000000, -0.0011626500000000, -0.0009295500000000 ] - [ 0.0018658800000000, -0.0005058300000000, 0.0003886100000000 ] - [ 0.0017820500000000, 0.0000858400000000, -0.0000977900000000 ] - [ 0.0030949300000000, 0.0062591100000000, 0.0034423600000000 ] - [ -0.0123275000000000, 0.0066037100000000, 0.0047157500000000 ] - [ 0.0073977900000000, 0.0044628200000000, -0.0043593600000000 ] - [ 0.0017367700000000, -0.0002788200000000, -0.0000758300000000 ] - [ 0.0019593700000000, -0.0005190800000000, -0.0002468200000000 ] - [ -0.0882117800000000, 0.0358835500000000, 0.0440570600000000 ] - [ -0.0000017800000000, 0.0014371400000000, -0.0006682200000000 ] - [ 0.0016831900000000, 0.0001266200000000, 0.0003059300000000 ] - [ 0.0017953600000000, 0.0004951000000000, 0.0005065300000000 ] - [ -0.0176957500000000, 0.0016665300000000, 0.0018253700000000 ] - [ -0.0001879900000000, 0.0010433800000000, 0.0007865200000000 ] - [ 0.0020239400000000, -0.0000745500000000, 0.0001285400000000 ] - [ 0.0017079200000000, 0.0008438800000000, -0.0003231400000000 ] - [ 0.0063560800000000, -0.0146260600000000, -0.0179059000000000 ] - [ 0.0015662500000000, 0.0014187700000000, 0.0004691400000000 ] - [ 0.0021617000000000, 0.0003360200000000, -0.0001135600000000 ] - [ 0.0019687800000000, 0.0001025600000000, -0.0006175300000000 ] - [ 0.0051741700000000, -0.0007291100000000, 0.0004141600000000 ] - [ -0.0021980400000000, -0.0019212500000000, -0.0019751700000000 ] - [ -0.0013223100000000, 0.0000542300000000, 0.0001887700000000 ] - [ -0.0009227200000000, -0.0000563300000000, 0.0001793800000000 ] - [ 0.0008062500000000, -0.0003910100000000, 0.0002824400000000 ] - [ -0.0009289600000000, 0.0003016600000000, 0.0001586100000000 ] - [ -0.0013253600000000, 0.0000128900000000, 0.0002468400000000 ] - [ -0.0018893900000000, 0.0001627700000000, -0.0000670900000000 ] - [ -0.0013219800000000, -0.0001346100000000, 0.0000152100000000 ] - [ -0.0009469200000000, 0.0002304700000000, 0.0000633100000000 ] - [ -0.0006918900000000, 0.0008177800000000, 0.0000680300000000 ] - [ 0.0044667800000000, -0.0021055800000000, 0.0006663200000000 ] - [ 0.0076059600000000, -0.0002802200000000, -0.0006908700000000 ] - [ -0.0010330500000000, 0.0031794700000000, -0.0000359100000000 ] - [ -0.0024341900000000, 0.0000095700000000, -0.0000519100000000 ] - [ -0.0023372700000000, 0.0003448500000000, -0.0000673900000000 ] - [ -0.0033321500000000, 0.0027646200000000, 0.0011111900000000 ] - [ -0.0024474100000000, -0.0001075300000000, -0.0000739400000000 ] - [ -0.0023393100000000, 0.0003143600000000, -0.0000846400000000 ] - [ -0.0016305200000000, -0.0034139800000000, -0.0009548600000000 ] - [ -0.0021420600000000, 0.0000678400000000, -0.0001295100000000 ] - [ -0.0023207400000000, -0.0002589100000000, 0.0000460600000000 ] - [ -0.0023948300000000, -0.0058469200000000, -0.0001030700000000 ] - [ 0.0531346500000000, -0.0184493800000000, -0.0352008800000000 ] - [ 0.0081169400000000, 0.0077959000000000, 0.0002201500000000 ] - [ -0.0054803400000000, 0.0001749300000000, 0.0000018800000000 ] - [ -0.0036644600000000, -0.0000288400000000, -0.0001739500000000 ] - [ -0.0048262400000000, -0.0006991000000000, 0.0000159200000000 ] - [ -0.0032763100000000, 0.0002087900000000, 0.0001288400000000 ] - [ -0.0035240500000000, 0.0000328200000000, 0.0000898900000000 ] - [ -0.0031076600000000, -0.0006450900000000, 0.0000991400000000 ] - [ 0.0238911200000000, -0.0056581200000000, 0.0082517800000000 ] - [ -0.0040671200000000, 0.0000315800000000, -0.0000621800000000 ] - [ -0.0037436300000000, 0.0000354900000000, -0.0002827200000000 ] - [ 0.0049012200000000, 0.0011749900000000, 0.0000646200000000 ] - [ 0.0198329900000000, -0.0041528100000000, -0.0045326100000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015166100000000, 0.0000962200000000, -0.0000144600000000 ] - [ -0.0021524700000000, -0.0006588300000000, 0.0000580500000000 ] - [ -0.0004236300000000, 0.0015261700000000, -0.0002375900000000 ] - [ 0.0083278100000000, -0.0046407000000000, -0.0017072900000000 ] - [ -0.0013759800000000, 0.0004846900000000, 0.0001805500000000 ] - [ -0.0022701400000000, -0.0000909500000000, -0.0002664800000000 ] - [ 0.0057338300000000, 0.0048368200000000, -0.0000173300000000 ] - [ -0.0001715700000000, 0.0060640700000000, -0.0018107200000000 ] - [ 0.0050407300000000, 0.0009025300000000, -0.0002983600000000 ] - [ -0.0036379200000000, 0.0003183700000000, 0.0024790500000000 ] - [ -0.0016744700000000, 0.0003643700000000, 0.0001179800000000 ] - [ -0.0020328600000000, 0.0003209700000000, 0.0000060300000000 ] - [ 0.0050695600000000, 0.0003876000000000, 0.0007252400000000 ] - [ -0.0019644900000000, 0.0010980800000000, -0.0000899900000000 ] - [ -0.0018777600000000, 0.0004092100000000, -0.0002818700000000 ] - [ -0.0020802400000000, 0.0003119400000000, 0.0004264300000000 ] - [ 0.0010068600000000, -0.0015673300000000, -0.0005288800000000 ] - [ -0.0023210800000000, 0.0008755000000000, -0.0000859200000000 ] - [ -0.0015570100000000, -0.0006108900000000, 0.0001035500000000 ] - [ -0.0035709200000000, 0.0009277600000000, 0.0008425300000000 ] - [ -0.0018815900000000, -0.0007324600000000, 0.0000200000000000 ] - [ -0.0020362000000000, 0.0068933800000000, -0.0004869300000000 ] - [ -0.0016788500000000, -0.0003237000000000, -0.0005323800000000 ] - [ -0.0019524100000000, -0.0005771500000000, -0.0003569400000000 ] - [ -0.0011297700000000, 0.0021007100000000, -0.0013200100000000 ] - [ -0.0018259300000000, 0.0001634700000000, -0.0003336200000000 ] - [ -0.0017044200000000, -0.0002757200000000, -0.0001790900000000 ] - [ -0.0027078200000000, -0.0019441900000000, -0.0001956700000000 ] - [ -0.0009737000000000, 0.0014923200000000, 0.0011200900000000 ] - [ -0.0021922500000000, 0.0001783300000000, -0.0001980900000000 ] - [ -0.0014564200000000, -0.0004106300000000, 0.0002876100000000 ] - [ -0.0033919100000000, -0.0058787400000000, -0.0032242600000000 ] - [ 0.0121692300000000, -0.0068615000000000, -0.0048971600000000 ] - [ -0.0072584000000000, -0.0041002600000000, 0.0041083500000000 ] - [ -0.0019410400000000, 0.0006954600000000, -0.0002368900000000 ] - [ -0.0017525800000000, 0.0001009700000000, -0.0000661300000000 ] - [ 0.0879412200000000, -0.0362974200000000, -0.0449865500000000 ] - [ 0.0003000100000000, -0.0017910100000000, 0.0014629800000000 ] - [ -0.0019597400000000, -0.0004693100000000, 0.0004758500000000 ] - [ -0.0015225700000000, -0.0001547000000000, 0.0002710000000000 ] - [ 0.0178563300000000, -0.0007771000000000, -0.0017638100000000 ] - [ 0.0000800600000000, -0.0019703900000000, -0.0009623400000000 ] - [ -0.0018952100000000, -0.0008393200000000, -0.0002905600000000 ] - [ -0.0018411600000000, 0.0000671200000000, 0.0001649100000000 ] - [ -0.0055352100000000, 0.0140087500000000, 0.0178142500000000 ] - [ -0.0022996000000000, -0.0009740900000000, -0.0003638000000000 ] - [ -0.0014173000000000, 0.0001223500000000, 0.0002193700000000 ] - [ -0.0020925400000000, -0.0006928700000000, 0.0000171700000000 ] - [ -0.0056142400000000, 0.0006221000000000, -0.0000248900000000 ] - [ 0.0026091800000000, 0.0020065900000000, 0.0023597000000000 ] - [ 0.0008994300000000, 0.0000120600000000, 0.0001807500000000 ] - [ 0.0013472900000000, -0.0000090300000000, 0.0001892500000000 ] - [ -0.0012115600000000, 0.0001905400000000, 0.0001280700000000 ] - [ 0.0013435600000000, -0.0001056100000000, 0.0002524500000000 ] - [ 0.0009164200000000, 0.0001859000000000, 0.0001641500000000 ] - [ 0.0023079700000000, -0.0003540400000000, 0.0004777200000000 ] - [ 0.0009410000000000, -0.0004029900000000, 0.0000424100000000 ] - [ 0.0013356100000000, 0.0003090900000000, -0.0000059600000000 ] - [ 0.0003065200000000, -0.0002880500000000, -0.0000106800000000 ] - [ -0.0040597600000000, 0.0016001500000000, -0.0006186600000000 ] - [ -0.0078446100000000, 0.0003572500000000, 0.0005196800000000 ] - [ 0.0012145400000000, -0.0032945700000000, -0.0001378800000000 ] - [ 0.0022472500000000, -0.0000897200000000, -0.0001254700000000 ] - [ 0.0025297100000000, -0.0002604300000000, -0.0001086800000000 ] - [ 0.0031885300000000, -0.0028279300000000, -0.0012236900000000 ] - [ 0.0026136400000000, 0.0001834100000000, -0.0000494800000000 ] - [ 0.0021795400000000, -0.0002429200000000, -0.0000377400000000 ] - [ 0.0017954600000000, 0.0033206700000000, 0.0008246500000000 ] - [ 0.0021593700000000, 0.0003924200000000, 0.0000392900000000 ] - [ 0.0023081400000000, -0.0002019300000000, -0.0001367400000000 ] - [ 0.0024016500000000, 0.0054303400000000, 0.0000132100000000 ] - [ -0.0536710400000000, 0.0190426500000000, 0.0353372700000000 ] - [ -0.0079575300000000, -0.0077839600000000, -0.0003282300000000 ] - [ 0.0054051000000000, -0.0002063800000000, -0.0001153600000000 ] - [ 0.0037615900000000, -0.0000073400000000, 0.0000611100000000 ] - [ 0.0047251600000000, 0.0007357700000000, -0.0001284400000000 ] - [ 0.0022331500000000, -0.0000298900000000, 0.0001601500000000 ] - [ 0.0045853100000000, -0.0002172300000000, 0.0002007000000000 ] - [ 0.0020432800000000, 0.0004618900000000, 0.0001925000000000 ] - [ -0.0219976800000000, 0.0060030000000000, -0.0072094300000000 ] - [ 0.0035115300000000, -0.0001546700000000, -0.0002698000000000 ] - [ 0.0043077700000000, 0.0000884700000000, -0.0000482400000000 ] - [ -0.0055234100000000, -0.0011225900000000, -0.0003948000000000 ] - [ -0.0197897500000000, 0.0045491100000000, 0.0046632200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002681400000000, 0.0000712900000000, 0.0000369400000000 ] - [ -0.0005820700000000, -0.0003605500000000, 0.0000443100000000 ] - [ -0.0007117300000000, 0.0023863700000000, -0.0003257300000000 ] - [ 0.0023611000000000, 0.0140609900000000, 0.0077550300000000 ] - [ 0.0001003800000000, 0.0003010000000000, 0.0000082600000000 ] - [ -0.0007152900000000, -0.0003651700000000, -0.0000956700000000 ] - [ 0.0010471500000000, 0.0043433900000000, 0.0009621000000000 ] - [ -0.0047278200000000, 0.0071961000000000, -0.0025899800000000 ] - [ 0.0007811800000000, 0.0048717900000000, -0.0017487400000000 ] - [ -0.0044839600000000, -0.0007807500000000, 0.0030618300000000 ] - [ -0.0001995500000000, 0.0001056700000000, 0.0000952100000000 ] - [ -0.0002931200000000, -0.0001948100000000, 0.0001763400000000 ] - [ 0.0005573200000000, 0.0060845200000000, 0.0029251100000000 ] - [ -0.0023000300000000, -0.0003163100000000, 0.0001227900000000 ] - [ -0.0003108200000000, 0.0001368600000000, -0.0000156900000000 ] - [ -0.0002144900000000, -0.0002665100000000, -0.0000035000000000 ] - [ 0.0004969300000000, 0.0018123500000000, -0.0001573900000000 ] - [ -0.0009785000000000, 0.0002681200000000, -0.0000643100000000 ] - [ 0.0001452300000000, -0.0001544400000000, 0.0000476700000000 ] - [ -0.0008574500000000, -0.0024426500000000, 0.0000854100000000 ] - [ -0.0004941400000000, 0.0001204300000000, 0.0000082800000000 ] - [ -0.0070268300000000, 0.0023372400000000, -0.0026720700000000 ] - [ -0.0002595100000000, -0.0002135000000000, -0.0003631000000000 ] - [ 0.0002266100000000, 0.0007734200000000, -0.0003198600000000 ] - [ -0.0018607200000000, 0.0011418900000000, -0.0008117100000000 ] - [ -0.0003093500000000, -0.0002490300000000, -0.0003537300000000 ] - [ -0.0002824200000000, 0.0001503000000000, -0.0001609200000000 ] - [ 0.0016035400000000, -0.0001381700000000, -0.0004277100000000 ] - [ -0.0017317300000000, 0.0007448900000000, 0.0004934700000000 ] - [ -0.0004491900000000, -0.0002394100000000, 0.0000962300000000 ] - [ -0.0000340900000000, 0.0001560800000000, 0.0000507300000000 ] - [ 0.0007121100000000, -0.0000317600000000, 0.0001065800000000 ] - [ 0.0035952600000000, 0.0230105700000000, 0.0214336700000000 ] - [ 0.0026514800000000, -0.0030497300000000, -0.0014309600000000 ] - [ -0.0004173900000000, 0.0003206200000000, -0.0001672500000000 ] - [ -0.0001140300000000, -0.0000332300000000, -0.0001508600000000 ] - [ 0.0359697900000000, -0.1191579500000000, -0.1175881100000000 ] - [ 0.0017465900000000, 0.0005674000000000, 0.0006120300000000 ] - [ -0.0004371100000000, -0.0002029000000000, 0.0003772700000000 ] - [ -0.0001900400000000, 0.0002259200000000, 0.0004151300000000 ] - [ 0.0010933000000000, -0.0108329500000000, -0.0017521400000000 ] - [ 0.0013656800000000, 0.0003793200000000, -0.0002929400000000 ] - [ -0.0002630200000000, -0.0005194200000000, -0.0001068400000000 ] - [ -0.0004354500000000, 0.0005060800000000, -0.0001098200000000 ] - [ -0.0071636100000000, -0.0034612100000000, 0.0099642500000000 ] - [ 0.0003390500000000, -0.0002690700000000, 0.0001716800000000 ] - [ 0.0000549000000000, 0.0002513600000000, 0.0000906200000000 ] - [ -0.0000969900000000, -0.0009780900000000, -0.0001911400000000 ] - [ -0.0012773700000000, 0.0008627500000000, 0.0010102300000000 ] - [ -0.0019790100000000, 0.0020018200000000, -0.0003874400000000 ] - [ -0.0000220400000000, 0.0000100900000000, 0.0001848700000000 ] - [ 0.0003267600000000, -0.0000638200000000, 0.0001819800000000 ] - [ -0.0009521900000000, -0.0010872800000000, 0.0001144300000000 ] - [ 0.0007338600000000, -0.0000343600000000, 0.0002162500000000 ] - [ -0.0001390000000000, 0.0001301500000000, 0.0002097000000000 ] - [ 0.0011030200000000, 0.0004812800000000, 0.0003502600000000 ] - [ 0.0001472600000000, -0.0002015500000000, 0.0000532500000000 ] - [ 0.0003773300000000, 0.0002967500000000, 0.0000242600000000 ] - [ 0.0002710300000000, -0.0006912200000000, 0.0000172000000000 ] - [ -0.0019254600000000, -0.0041455900000000, 0.0026836200000000 ] - [ 0.0004292800000000, -0.0094273500000000, -0.0004787300000000 ] - [ 0.0032344400000000, -0.0017899600000000, -0.0000224400000000 ] - [ 0.0003008600000000, -0.0000144500000000, -0.0001037700000000 ] - [ 0.0005460900000000, 0.0003287900000000, -0.0000569100000000 ] - [ 0.0043615900000000, 0.0005533000000000, 0.0001313400000000 ] - [ 0.0003213600000000, 0.0004065400000000, -0.0000222700000000 ] - [ 0.0004050200000000, -0.0004350100000000, -0.0000277600000000 ] - [ -0.0009880300000000, -0.0010978900000000, 0.0000672500000000 ] - [ 0.0002617300000000, 0.0000017000000000, -0.0000233900000000 ] - [ 0.0004099400000000, -0.0002576300000000, -0.0000587500000000 ] - [ -0.0017228200000000, -0.0001567700000000, -0.0003074700000000 ] - [ -0.0168830900000000, 0.0756742500000000, 0.0746145000000000 ] - [ 0.0039831700000000, -0.0078010700000000, -0.0000133500000000 ] - [ 0.0014425400000000, 0.0024337100000000, 0.0001469900000000 ] - [ 0.0006155300000000, -0.0001323900000000, -0.0000243500000000 ] - [ -0.0003925400000000, 0.0006122600000000, -0.0002101600000000 ] - [ 0.0006031100000000, -0.0011342300000000, 0.0001510700000000 ] - [ 0.0013200500000000, -0.0000425100000000, 0.0001423000000000 ] - [ -0.0012644500000000, -0.0009955800000000, 0.0000968300000000 ] - [ -0.0012167200000000, 0.0130937200000000, 0.0000578200000000 ] - [ 0.0004348000000000, -0.0000846700000000, -0.0001912900000000 ] - [ 0.0008682300000000, 0.0001245800000000, -0.0001372800000000 ] - [ -0.0046882200000000, -0.0115849600000000, -0.0001653200000000 ] - [ -0.0056850600000000, 0.0161002300000000, 0.0045357600000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007992100000000, 0.0003990500000000, 0.0000350300000000 ] - [ 0.0000403400000000, -0.0001139300000000, 0.0000280700000000 ] - [ 0.0012327300000000, -0.0028508900000000, 0.0003941000000000 ] - [ -0.0028355400000000, -0.0134449800000000, -0.0075561700000000 ] - [ 0.0007281800000000, 0.0003223400000000, -0.0000938700000000 ] - [ -0.0001262000000000, -0.0002580200000000, 0.0000094900000000 ] - [ -0.0002096600000000, -0.0049767100000000, -0.0010501800000000 ] - [ 0.0038477100000000, -0.0065282800000000, 0.0024819300000000 ] - [ -0.0005865500000000, -0.0049668400000000, 0.0019277200000000 ] - [ 0.0042757400000000, 0.0008737600000000, -0.0028451400000000 ] - [ 0.0003757800000000, 0.0000000200000000, 0.0000961700000000 ] - [ 0.0001078800000000, 0.0000883900000000, 0.0000153300000000 ] - [ -0.0005739000000000, -0.0062368300000000, -0.0028664100000000 ] - [ 0.0023242800000000, 0.0004722300000000, -0.0000733400000000 ] - [ 0.0002751900000000, 0.0000264000000000, 0.0000597700000000 ] - [ 0.0002420100000000, 0.0001020300000000, 0.0000475000000000 ] - [ 0.0001096300000000, -0.0019185200000000, 0.0001587900000000 ] - [ 0.0003739000000000, -0.0001701200000000, 0.0000684500000000 ] - [ 0.0004524100000000, 0.0002548200000000, -0.0000437000000000 ] - [ 0.0002499400000000, 0.0023431700000000, -0.0000791000000000 ] - [ -0.0002678600000000, -0.0005802700000000, 0.0000971600000000 ] - [ 0.0071714900000000, -0.0017478400000000, 0.0021004300000000 ] - [ 0.0003644200000000, -0.0003762200000000, -0.0002442700000000 ] - [ -0.0003443000000000, -0.0001910700000000, -0.0002875300000000 ] - [ 0.0015982200000000, -0.0009744900000000, 0.0003122700000000 ] - [ 0.0005695900000000, 0.0000868300000000, -0.0001461800000000 ] - [ 0.0000120500000000, -0.0003133400000000, -0.0003402100000000 ] - [ -0.0013425100000000, 0.0002872300000000, -0.0000692100000000 ] - [ 0.0020539500000000, -0.0004115400000000, -0.0003003900000000 ] - [ 0.0001218900000000, -0.0000897600000000, 0.0000934600000000 ] - [ 0.0003515000000000, -0.0004852500000000, 0.0001406900000000 ] - [ -0.0010555700000000, 0.0003223600000000, 0.0000555400000000 ] - [ -0.0038882000000000, -0.0237369100000000, -0.0221111000000000 ] - [ -0.0024253000000000, 0.0034708000000000, 0.0011124200000000 ] - [ 0.0002092200000000, 0.0000838900000000, -0.0001444100000000 ] - [ 0.0003151100000000, -0.0003737900000000, -0.0001605700000000 ] - [ -0.0362100800000000, 0.1197283400000000, 0.1203786300000000 ] - [ -0.0014798700000000, -0.0008927300000000, 0.0001494300000000 ] - [ 0.0001561400000000, -0.0001304500000000, 0.0003877200000000 ] - [ 0.0004617200000000, 0.0001026100000000, 0.0003474000000000 ] - [ -0.0009542100000000, 0.0117074400000000, 0.0017679900000000 ] - [ -0.0014942800000000, -0.0012915600000000, 0.0001300800000000 ] - [ 0.0003817100000000, -0.0003977500000000, -0.0000575000000000 ] - [ 0.0003063000000000, 0.0004054000000000, -0.0000509800000000 ] - [ 0.0079344100000000, 0.0031275900000000, -0.0098604000000000 ] - [ -0.0010955100000000, 0.0007308500000000, -0.0000658800000000 ] - [ 0.0007043700000000, 0.0002058400000000, 0.0000135500000000 ] - [ -0.0000136600000000, 0.0003892800000000, -0.0004150800000000 ] - [ 0.0008015500000000, -0.0011770900000000, -0.0005104300000000 ] - [ 0.0023827300000000, -0.0019468600000000, 0.0007509000000000 ] - [ -0.0003946300000000, 0.0000580300000000, 0.0001843600000000 ] - [ 0.0000951900000000, -0.0000046600000000, 0.0001867000000000 ] - [ 0.0005326000000000, 0.0008924700000000, 0.0002950500000000 ] - [ -0.0003197200000000, 0.0002294000000000, 0.0001943200000000 ] - [ -0.0002703800000000, 0.0000634400000000, 0.0001997900000000 ] - [ -0.0006817700000000, -0.0006774700000000, 0.0000614600000000 ] - [ -0.0005308100000000, -0.0003380100000000, 0.0000044800000000 ] - [ 0.0000153100000000, 0.0002417100000000, 0.0000329700000000 ] - [ -0.0006540700000000, 0.0012255300000000, 0.0000403900000000 ] - [ 0.0023142600000000, 0.0036651400000000, -0.0026347400000000 ] - [ -0.0006011100000000, 0.0094938000000000, 0.0003057700000000 ] - [ -0.0030459800000000, 0.0017212900000000, -0.0001566700000000 ] - [ -0.0004722400000000, -0.0000649400000000, -0.0000752700000000 ] - [ -0.0003619100000000, -0.0002522800000000, -0.0001215900000000 ] - [ -0.0045027400000000, -0.0006447600000000, -0.0002544500000000 ] - [ -0.0001650100000000, -0.0003299600000000, -0.0000970900000000 ] - [ -0.0005498100000000, 0.0005108900000000, -0.0000914700000000 ] - [ 0.0011395700000000, 0.0010329800000000, -0.0001768000000000 ] - [ -0.0002583800000000, 0.0004617000000000, -0.0000639800000000 ] - [ -0.0004027500000000, -0.0002053600000000, -0.0000289900000000 ] - [ 0.0017211200000000, -0.0003315900000000, 0.0002211300000000 ] - [ 0.0173815500000000, -0.0753927500000000, -0.0770717300000000 ] - [ -0.0039210000000000, 0.0078017000000000, -0.0000912700000000 ] - [ -0.0015511900000000, -0.0024607400000000, -0.0002592400000000 ] - [ -0.0004885500000000, 0.0000929300000000, -0.0000888300000000 ] - [ 0.0002902800000000, -0.0005730200000000, 0.0000958900000000 ] - [ -0.0016779800000000, 0.0013181600000000, 0.0001421200000000 ] - [ -0.0002300000000000, -0.0001418300000000, 0.0001511700000000 ] - [ 0.0001960000000000, 0.0008033900000000, 0.0001953700000000 ] - [ 0.0022842000000000, -0.0128669400000000, 0.0002042500000000 ] - [ -0.0009858300000000, -0.0000328400000000, -0.0001417400000000 ] - [ -0.0002970200000000, -0.0000096800000000, -0.0001945200000000 ] - [ 0.0041363800000000, 0.0117106900000000, -0.0001692000000000 ] - [ 0.0058283400000000, -0.0159450200000000, -0.0045856000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000557900000000, 0.0001389500000000, 0.0000457000000000 ] - [ -0.0003621300000000, -0.0002725700000000, 0.0000362400000000 ] - [ 0.0010044100000000, 0.0005156600000000, 0.0001868700000000 ] - [ 0.0007897500000000, 0.0085375900000000, 0.0023822100000000 ] - [ 0.0003330700000000, 0.0002957600000000, -0.0000276200000000 ] - [ -0.0005108400000000, -0.0003434300000000, -0.0000637800000000 ] - [ 0.0015772900000000, 0.0034385000000000, 0.0009988000000000 ] - [ 0.0013612900000000, -0.0002810000000000, -0.0012785000000000 ] - [ 0.0004155900000000, 0.0017083600000000, -0.0016618800000000 ] - [ -0.0016775300000000, -0.0004969800000000, 0.0032321000000000 ] - [ 0.0000113500000000, 0.0000550700000000, 0.0000863000000000 ] - [ -0.0001162200000000, -0.0000967300000000, 0.0001359500000000 ] - [ 0.0001060800000000, 0.0027226300000000, 0.0022001200000000 ] - [ -0.0004341300000000, 0.0004733300000000, -0.0008009100000000 ] - [ -0.0000959900000000, 0.0000828600000000, 0.0000161600000000 ] - [ -0.0000464700000000, -0.0001688500000000, -0.0000513500000000 ] - [ -0.0003614400000000, 0.0015009400000000, 0.0003308600000000 ] - [ -0.0004978300000000, 0.0002712500000000, -0.0000027300000000 ] - [ 0.0002673600000000, -0.0000677800000000, 0.0000001100000000 ] - [ 0.0007984300000000, -0.0022442000000000, 0.0005432500000000 ] - [ -0.0004463000000000, -0.0000124200000000, 0.0000053600000000 ] - [ 0.0028180600000000, -0.0033152300000000, 0.0004580700000000 ] - [ -0.0000027900000000, -0.0002393900000000, -0.0003218800000000 ] - [ 0.0002877000000000, 0.0006553400000000, -0.0000864300000000 ] - [ -0.0008612400000000, 0.0004110200000000, 0.0006994900000000 ] - [ -0.0000450700000000, -0.0001364400000000, -0.0003279800000000 ] - [ -0.0001057600000000, -0.0000217100000000, -0.0001971000000000 ] - [ 0.0003615500000000, 0.0000022400000000, -0.0010106100000000 ] - [ -0.0001569800000000, 0.0000862200000000, -0.0007406000000000 ] - [ -0.0002872300000000, -0.0002030300000000, 0.0001320600000000 ] - [ 0.0001910800000000, -0.0000723300000000, 0.0000205100000000 ] - [ 0.0015272900000000, 0.0035284500000000, 0.0041049300000000 ] - [ 0.0015341300000000, 0.0184054900000000, 0.0076442500000000 ] - [ -0.0030538600000000, -0.0020820400000000, 0.0008334300000000 ] - [ -0.0001915500000000, 0.0002568200000000, -0.0001595600000000 ] - [ 0.0000605600000000, -0.0001238000000000, -0.0001556500000000 ] - [ 0.0428747000000000, -0.1157839700000000, -0.2702003200000000 ] - [ 0.0012076100000000, -0.0004135500000000, 0.0011735100000000 ] - [ -0.0002221100000000, -0.0001778800000000, 0.0003890100000000 ] - [ 0.0000198500000000, 0.0002144800000000, 0.0004068100000000 ] - [ 0.0013497000000000, -0.0023866500000000, 0.0557939100000000 ] - [ 0.0007457700000000, -0.0007843700000000, -0.0007975800000000 ] - [ -0.0000266800000000, -0.0004700100000000, -0.0000862700000000 ] - [ -0.0001971900000000, 0.0004891600000000, -0.0001008900000000 ] - [ -0.0126548300000000, 0.0082022700000000, 0.0113196000000000 ] - [ -0.0005337900000000, -0.0004998700000000, -0.0000372400000000 ] - [ 0.0002847300000000, 0.0002544200000000, 0.0000663700000000 ] - [ -0.0000247300000000, -0.0006272700000000, -0.0002131100000000 ] - [ -0.0004123200000000, 0.0002353800000000, 0.0010622900000000 ] - [ -0.0026963000000000, -0.0000049000000000, -0.0001014100000000 ] - [ -0.0001623400000000, 0.0000228300000000, 0.0001852000000000 ] - [ 0.0002334400000000, -0.0000502800000000, 0.0001839200000000 ] - [ -0.0003772900000000, -0.0005543000000000, 0.0002148000000000 ] - [ 0.0003188900000000, -0.0000081700000000, 0.0002173100000000 ] - [ -0.0001606500000000, 0.0001315700000000, 0.0002003100000000 ] - [ 0.0014751400000000, 0.0002635500000000, 0.0004638300000000 ] - [ -0.0001167300000000, -0.0001947900000000, 0.0000456500000000 ] - [ 0.0002529100000000, 0.0002818700000000, 0.0000266100000000 ] - [ -0.0000297700000000, -0.0001723500000000, 0.0000466600000000 ] - [ 0.0009693100000000, 0.0024951400000000, 0.0004933300000000 ] - [ -0.0003239900000000, -0.0035826300000000, -0.0005664300000000 ] - [ -0.0018526200000000, -0.0016793100000000, -0.0006522200000000 ] - [ 0.0000171900000000, -0.0000166700000000, -0.0000945000000000 ] - [ 0.0002534200000000, 0.0001953600000000, -0.0000935400000000 ] - [ 0.0002513400000000, 0.0005634100000000, -0.0013401300000000 ] - [ 0.0001558000000000, 0.0001960000000000, -0.0000338100000000 ] - [ 0.0000111200000000, -0.0001696600000000, -0.0000338000000000 ] - [ 0.0000437300000000, -0.0005818200000000, -0.0012856800000000 ] - [ 0.0001140100000000, 0.0001151300000000, -0.0000425700000000 ] - [ 0.0000997200000000, -0.0002536700000000, -0.0000474800000000 ] - [ 0.0000143100000000, 0.0021597700000000, -0.0002947900000000 ] - [ -0.0344531500000000, 0.0794197700000000, 0.1752322600000000 ] - [ 0.0032655400000000, -0.0059261400000000, 0.0023838600000000 ] - [ 0.0010239500000000, 0.0002810200000000, -0.0000764900000000 ] - [ 0.0001589900000000, -0.0000317000000000, -0.0000456800000000 ] - [ -0.0006432700000000, 0.0000068000000000, 0.0001615400000000 ] - [ 0.0001637000000000, -0.0004191300000000, 0.0001923100000000 ] - [ 0.0007853500000000, -0.0001254300000000, 0.0001439100000000 ] - [ -0.0011341500000000, -0.0000376800000000, 0.0002567700000000 ] - [ 0.0098103800000000, 0.0017014700000000, 0.0037171500000000 ] - [ -0.0000565900000000, -0.0000640000000000, -0.0001741200000000 ] - [ 0.0004298900000000, 0.0000896500000000, -0.0001494200000000 ] - [ -0.0034271000000000, -0.0048129000000000, -0.0004685600000000 ] - [ -0.0110723300000000, 0.0096015300000000, 0.0053529000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004725500000000, 0.0003174700000000, 0.0000226400000000 ] - [ -0.0001674400000000, -0.0001895600000000, 0.0000324700000000 ] - [ -0.0004682400000000, -0.0009702700000000, -0.0001176500000000 ] - [ -0.0013028300000000, -0.0080266100000000, -0.0023597500000000 ] - [ 0.0005092600000000, 0.0003241100000000, -0.0000631900000000 ] - [ -0.0003330600000000, -0.0002758000000000, -0.0000260800000000 ] - [ -0.0007138700000000, -0.0040316100000000, -0.0010781000000000 ] - [ -0.0021713700000000, 0.0008801300000000, 0.0011895100000000 ] - [ -0.0002343000000000, -0.0017860800000000, 0.0018256000000000 ] - [ 0.0014987800000000, 0.0005871700000000, -0.0030366800000000 ] - [ 0.0001730400000000, 0.0000431500000000, 0.0000980200000000 ] - [ -0.0000641600000000, -0.0000029900000000, 0.0000498600000000 ] - [ -0.0001391800000000, -0.0028793900000000, -0.0021548700000000 ] - [ 0.0004530000000000, -0.0003165500000000, 0.0008250100000000 ] - [ 0.0000671400000000, 0.0000759000000000, 0.0000273000000000 ] - [ 0.0000830300000000, 0.0000065600000000, 0.0000887900000000 ] - [ 0.0009550900000000, -0.0015947800000000, -0.0003220600000000 ] - [ -0.0000987400000000, -0.0001717200000000, 0.0000086600000000 ] - [ 0.0003375300000000, 0.0001743300000000, 0.0000035100000000 ] - [ -0.0013784100000000, 0.0021032000000000, -0.0005394300000000 ] - [ -0.0002909700000000, -0.0004412400000000, 0.0001014500000000 ] - [ -0.0027358000000000, 0.0038844900000000, -0.0010838700000000 ] - [ 0.0001260000000000, -0.0003453800000000, -0.0002800200000000 ] - [ -0.0004073500000000, -0.0000682400000000, -0.0005139000000000 ] - [ 0.0005893700000000, -0.0002524600000000, -0.0011980500000000 ] - [ 0.0003100700000000, -0.0000264200000000, -0.0001721900000000 ] - [ -0.0001579300000000, -0.0001400000000000, -0.0003048800000000 ] - [ -0.0000991800000000, 0.0001671400000000, 0.0004926700000000 ] - [ 0.0004789100000000, 0.0002382800000000, 0.0009264200000000 ] - [ -0.0000359900000000, -0.0001236400000000, 0.0000572900000000 ] - [ 0.0001350200000000, -0.0002513200000000, 0.0001681200000000 ] - [ -0.0018501300000000, -0.0031824200000000, -0.0038888900000000 ] - [ -0.0017385200000000, -0.0189125700000000, -0.0078732500000000 ] - [ 0.0032629800000000, 0.0024931400000000, -0.0011752400000000 ] - [ -0.0000128400000000, 0.0001627300000000, -0.0001528900000000 ] - [ 0.0001500700000000, -0.0002993700000000, -0.0001572200000000 ] - [ -0.0462368600000000, 0.1222748000000000, 0.2815203400000000 ] - [ -0.0009243400000000, 0.0000723000000000, -0.0003864200000000 ] - [ -0.0000538300000000, -0.0001658400000000, 0.0003944800000000 ] - [ 0.0002565800000000, 0.0001275200000000, 0.0003728100000000 ] - [ -0.0012623100000000, 0.0033517500000000, -0.0563805500000000 ] - [ -0.0008654700000000, -0.0001343500000000, 0.0006266000000000 ] - [ 0.0001554600000000, -0.0004458400000000, -0.0000778400000000 ] - [ 0.0000682500000000, 0.0004239100000000, -0.0000594700000000 ] - [ 0.0134943400000000, -0.0087276400000000, -0.0111864600000000 ] - [ -0.0001985300000000, 0.0009541900000000, 0.0001459900000000 ] - [ 0.0004627800000000, 0.0002039200000000, 0.0000383800000000 ] - [ -0.0000914500000000, 0.0000401200000000, -0.0003894400000000 ] - [ -0.0000289200000000, -0.0003973400000000, -0.0006322500000000 ] - [ 0.0031165300000000, 0.0000739100000000, 0.0004506800000000 ] - [ -0.0002636100000000, 0.0000456100000000, 0.0001844000000000 ] - [ 0.0001893500000000, -0.0000165800000000, 0.0001844400000000 ] - [ -0.0000331100000000, 0.0003551200000000, 0.0001954600000000 ] - [ 0.0000940400000000, 0.0002043700000000, 0.0001929800000000 ] - [ -0.0002490300000000, 0.0000672900000000, 0.0002104800000000 ] - [ -0.0010584700000000, -0.0004588300000000, -0.0000541700000000 ] - [ -0.0002686700000000, -0.0003416400000000, 0.0000125800000000 ] - [ 0.0001347900000000, 0.0002565900000000, 0.0000312500000000 ] - [ -0.0003533700000000, 0.0007033900000000, 0.0000112800000000 ] - [ -0.0005702800000000, -0.0030097000000000, -0.0004739700000000 ] - [ 0.0001256800000000, 0.0036551800000000, 0.0003874700000000 ] - [ 0.0020192500000000, 0.0015846900000000, 0.0004729600000000 ] - [ -0.0002084400000000, -0.0000647400000000, -0.0000854800000000 ] - [ -0.0000655000000000, -0.0001117200000000, -0.0000858200000000 ] - [ -0.0003876900000000, -0.0006216500000000, 0.0012194300000000 ] - [ 0.0000036600000000, -0.0001199400000000, -0.0000881300000000 ] - [ -0.0001737800000000, 0.0002433800000000, -0.0000878000000000 ] - [ 0.0001197300000000, 0.0005001700000000, 0.0011564900000000 ] - [ -0.0000983000000000, 0.0003468700000000, -0.0000455000000000 ] - [ -0.0001179900000000, -0.0002076700000000, -0.0000409600000000 ] - [ -0.0000085200000000, -0.0026244500000000, 0.0002059200000000 ] - [ 0.0372493700000000, -0.0853323900000000, -0.1860537500000000 ] - [ -0.0031487600000000, 0.0059351700000000, -0.0024979800000000 ] - [ -0.0011155400000000, -0.0003046400000000, -0.0000400000000000 ] - [ -0.0000682300000000, -0.0000038400000000, -0.0000688000000000 ] - [ 0.0005376400000000, 0.0000220900000000, -0.0002730500000000 ] - [ -0.0012167600000000, 0.0006031400000000, 0.0000963300000000 ] - [ 0.0002688600000000, -0.0000577200000000, 0.0001448400000000 ] - [ 0.0000727700000000, -0.0001496000000000, 0.0000320800000000 ] - [ -0.0082488900000000, -0.0014093300000000, -0.0030631100000000 ] - [ -0.0005065100000000, -0.0000592000000000, -0.0001568000000000 ] - [ 0.0001287000000000, 0.0000340400000000, -0.0001809000000000 ] - [ 0.0028583700000000, 0.0049209600000000, 0.0001345500000000 ] - [ 0.0112654700000000, -0.0094052000000000, -0.0054326800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021632100000000, 0.0003443100000000, 0.0000843700000000 ] - [ 0.0017507000000000, 0.0002241300000000, 0.0000133700000000 ] - [ 0.0008707600000000, -0.0027421900000000, 0.0000962600000000 ] - [ -0.0087458300000000, 0.0045861200000000, -0.0015771200000000 ] - [ 0.0023319700000000, 0.0001236100000000, -0.0002830800000000 ] - [ 0.0015672900000000, -0.0005552400000000, 0.0001934300000000 ] - [ -0.0044940800000000, -0.0040718900000000, 0.0000121400000000 ] - [ -0.0015672200000000, -0.0060731500000000, 0.0020771500000000 ] - [ -0.0050392300000000, -0.0007498600000000, 0.0002877100000000 ] - [ 0.0053285600000000, -0.0027450200000000, -0.0002745300000000 ] - [ 0.0019743900000000, -0.0002817400000000, 0.0000747000000000 ] - [ 0.0020097800000000, -0.0004763500000000, 0.0001945500000000 ] - [ -0.0051053600000000, -0.0011938000000000, -0.0010045400000000 ] - [ 0.0033971000000000, -0.0005182900000000, 0.0005649500000000 ] - [ 0.0019706900000000, -0.0002702500000000, 0.0003449300000000 ] - [ 0.0022824500000000, -0.0005494900000000, -0.0003911300000000 ] - [ -0.0003113700000000, 0.0014847100000000, 0.0002410000000000 ] - [ 0.0020125000000000, -0.0008409100000000, 0.0001637800000000 ] - [ 0.0022415500000000, 0.0007842400000000, -0.0001245300000000 ] - [ 0.0025974100000000, -0.0015856700000000, 0.0001179600000000 ] - [ 0.0012447000000000, 0.0003823700000000, 0.0001035200000000 ] - [ -0.0012087600000000, -0.0039658300000000, -0.0009735100000000 ] - [ 0.0019272600000000, -0.0002951800000000, -0.0000502500000000 ] - [ 0.0020189100000000, 0.0014782000000000, -0.0006009700000000 ] - [ 0.0002555000000000, -0.0016869100000000, 0.0002965300000000 ] - [ 0.0022644400000000, -0.0002917600000000, -0.0001591200000000 ] - [ 0.0015155100000000, 0.0000599600000000, -0.0003549800000000 ] - [ 0.0042932300000000, 0.0048294500000000, -0.0034694600000000 ] - [ 0.0011672500000000, -0.0013046700000000, -0.0003783800000000 ] - [ 0.0020065500000000, -0.0004980900000000, 0.0004079200000000 ] - [ 0.0018658000000000, -0.0000009100000000, -0.0000902600000000 ] - [ 0.0027633800000000, 0.0032304900000000, 0.0005487500000000 ] - [ -0.0124525100000000, 0.0054188100000000, -0.0035542100000000 ] - [ 0.0051347900000000, 0.0044901400000000, 0.0033151800000000 ] - [ 0.0018701000000000, -0.0003311600000000, -0.0000693600000000 ] - [ 0.0020993000000000, -0.0005110300000000, -0.0002591300000000 ] - [ -0.0179390800000000, 0.0011920900000000, 0.0015882500000000 ] - [ 0.0000122600000000, 0.0012676000000000, -0.0004323400000000 ] - [ 0.0018221000000000, 0.0001625100000000, 0.0002789200000000 ] - [ 0.0019114500000000, 0.0005315800000000, 0.0005032600000000 ] - [ -0.1130391200000000, 0.0658166500000000, -0.0665265700000000 ] - [ -0.0006373600000000, 0.0008508500000000, 0.0007536600000000 ] - [ 0.0021679000000000, -0.0000451500000000, 0.0001426900000000 ] - [ 0.0018143100000000, 0.0008817600000000, -0.0003598500000000 ] - [ 0.0186048400000000, -0.0238776400000000, 0.0174003200000000 ] - [ 0.0012971200000000, 0.0015118200000000, 0.0001657000000000 ] - [ 0.0023266900000000, 0.0003350600000000, -0.0001315100000000 ] - [ 0.0020866100000000, 0.0002644500000000, -0.0006225700000000 ] - [ 0.0042667300000000, -0.0011362200000000, -0.0004486700000000 ] - [ -0.0028276100000000, -0.0030483700000000, 0.0025123300000000 ] - [ -0.0013998000000000, 0.0000578500000000, 0.0001900100000000 ] - [ -0.0010253300000000, -0.0000639500000000, 0.0001763500000000 ] - [ 0.0008196200000000, -0.0005247400000000, 0.0002450000000000 ] - [ -0.0011242500000000, 0.0003563400000000, 0.0001766000000000 ] - [ -0.0013676200000000, -0.0000000800000000, 0.0002404700000000 ] - [ -0.0021174900000000, 0.0001223900000000, 0.0000806200000000 ] - [ -0.0013688700000000, -0.0001259600000000, 0.0000132900000000 ] - [ -0.0010227300000000, 0.0002224500000000, 0.0000654400000000 ] - [ -0.0006538600000000, 0.0010652200000000, 0.0000320600000000 ] - [ 0.0048374700000000, -0.0021429300000000, -0.0007848600000000 ] - [ 0.0078005700000000, 0.0000060100000000, -0.0009328400000000 ] - [ -0.0017338200000000, 0.0042445200000000, 0.0012724700000000 ] - [ -0.0025827800000000, 0.0000127200000000, -0.0000476400000000 ] - [ -0.0025462700000000, 0.0003954100000000, -0.0000580200000000 ] - [ -0.0014556700000000, 0.0030389300000000, 0.0006196600000000 ] - [ -0.0026036700000000, -0.0002205500000000, -0.0000674700000000 ] - [ -0.0025166100000000, 0.0004966700000000, -0.0000928100000000 ] - [ -0.0012506800000000, -0.0041520700000000, -0.0000527600000000 ] - [ -0.0023304700000000, 0.0000204300000000, -0.0001168100000000 ] - [ -0.0024802500000000, -0.0002637200000000, 0.0000544500000000 ] - [ -0.0019675500000000, -0.0051996700000000, 0.0000582600000000 ] - [ 0.0635077000000000, -0.0367531300000000, 0.0456794200000000 ] - [ 0.0082287200000000, 0.0081169600000000, -0.0003280800000000 ] - [ -0.0060790300000000, -0.0008643000000000, -0.0002529400000000 ] - [ -0.0038819300000000, 0.0000043800000000, -0.0001866900000000 ] - [ -0.0053477000000000, -0.0006325400000000, -0.0002141700000000 ] - [ -0.0033986200000000, 0.0000826300000000, 0.0002222900000000 ] - [ -0.0038277400000000, 0.0000100600000000, 0.0000943200000000 ] - [ -0.0030559700000000, -0.0004868300000000, 0.0002027800000000 ] - [ 0.0260756900000000, -0.0058836300000000, -0.0036100700000000 ] - [ -0.0043238800000000, 0.0000517300000000, -0.0000611200000000 ] - [ -0.0040483800000000, 0.0000272600000000, -0.0002937900000000 ] - [ 0.0056102400000000, 0.0024176000000000, -0.0000497000000000 ] - [ 0.0227633700000000, -0.0040395600000000, 0.0073789900000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016299400000000, 0.0001248100000000, -0.0000124600000000 ] - [ -0.0022877400000000, -0.0006976400000000, 0.0000587600000000 ] - [ -0.0003220700000000, 0.0022867500000000, -0.0000210800000000 ] - [ 0.0081958500000000, -0.0041384200000000, 0.0016660700000000 ] - [ -0.0014985700000000, 0.0004994200000000, 0.0001964900000000 ] - [ -0.0024047600000000, -0.0000683700000000, -0.0002798700000000 ] - [ 0.0053554900000000, 0.0034728500000000, -0.0000918900000000 ] - [ 0.0007658500000000, 0.0067422200000000, -0.0022025500000000 ] - [ 0.0052181200000000, 0.0006653100000000, -0.0001097600000000 ] - [ -0.0055691100000000, 0.0028872800000000, 0.0004733200000000 ] - [ -0.0017944900000000, 0.0003890400000000, 0.0001187000000000 ] - [ -0.0021878500000000, 0.0003671000000000, 0.0000001800000000 ] - [ 0.0050698600000000, 0.0010379900000000, 0.0010480800000000 ] - [ -0.0033724500000000, 0.0006881500000000, -0.0005215600000000 ] - [ -0.0020012000000000, 0.0004332900000000, -0.0002998100000000 ] - [ -0.0022486500000000, 0.0003835600000000, 0.0004339100000000 ] - [ 0.0008966200000000, -0.0015670600000000, -0.0002341800000000 ] - [ -0.0026148500000000, 0.0009438700000000, -0.0001600400000000 ] - [ -0.0016398700000000, -0.0006851700000000, 0.0001289700000000 ] - [ -0.0031969500000000, 0.0014664400000000, -0.0001105400000000 ] - [ -0.0020064600000000, -0.0008349500000000, 0.0000010900000000 ] - [ 0.0012639800000000, 0.0045355400000000, 0.0003656400000000 ] - [ -0.0018172700000000, -0.0002914200000000, -0.0005568000000000 ] - [ -0.0021254800000000, -0.0008825900000000, -0.0000083400000000 ] - [ -0.0005310800000000, 0.0018454600000000, -0.0007955800000000 ] - [ -0.0020013400000000, 0.0001286900000000, -0.0003438000000000 ] - [ -0.0017788400000000, -0.0002197900000000, -0.0001463000000000 ] - [ -0.0039886200000000, -0.0046213500000000, 0.0029223600000000 ] - [ -0.0008552800000000, 0.0016312400000000, 0.0005698600000000 ] - [ -0.0023313200000000, 0.0001690500000000, -0.0002179600000000 ] - [ -0.0015399800000000, -0.0003244300000000, 0.0002783000000000 ] - [ -0.0030785600000000, -0.0028880800000000, -0.0003558600000000 ] - [ 0.0122564100000000, -0.0056219100000000, 0.0031275600000000 ] - [ -0.0049630100000000, -0.0041344400000000, -0.0036712000000000 ] - [ -0.0020733200000000, 0.0007342000000000, -0.0002421800000000 ] - [ -0.0018939000000000, 0.0001079700000000, -0.0000527400000000 ] - [ 0.0176133700000000, -0.0008454400000000, -0.0010022200000000 ] - [ 0.0002821000000000, -0.0016034500000000, 0.0012002200000000 ] - [ -0.0020975000000000, -0.0004918700000000, 0.0004818900000000 ] - [ -0.0016382500000000, -0.0002025500000000, 0.0002558100000000 ] - [ 0.1126535100000000, -0.0647972800000000, 0.0672884700000000 ] - [ 0.0005355000000000, -0.0017750400000000, -0.0009270900000000 ] - [ -0.0020442400000000, -0.0008695600000000, -0.0003060100000000 ] - [ -0.0019410600000000, 0.0000320600000000, 0.0001982300000000 ] - [ -0.0175599000000000, 0.0230838200000000, -0.0170520700000000 ] - [ -0.0020511300000000, -0.0010656100000000, -0.0000584700000000 ] - [ -0.0015614400000000, 0.0001240700000000, 0.0002355100000000 ] - [ -0.0021976500000000, -0.0008579400000000, 0.0000167400000000 ] - [ -0.0047038900000000, 0.0010269200000000, 0.0008032600000000 ] - [ 0.0032142600000000, 0.0031314700000000, -0.0021482100000000 ] - [ 0.0009787400000000, 0.0000103000000000, 0.0001800600000000 ] - [ 0.0014446900000000, -0.0000031200000000, 0.0001927800000000 ] - [ -0.0012238200000000, 0.0003267400000000, 0.0001640800000000 ] - [ 0.0015366800000000, -0.0001623800000000, 0.0002331100000000 ] - [ 0.0009549500000000, 0.0001959400000000, 0.0001692700000000 ] - [ 0.0025327900000000, -0.0003124600000000, 0.0003317200000000 ] - [ 0.0009825100000000, -0.0004110700000000, 0.0000445400000000 ] - [ 0.0014137200000000, 0.0003165500000000, -0.0000083600000000 ] - [ 0.0002621800000000, -0.0005354000000000, 0.0000258700000000 ] - [ -0.0044241500000000, 0.0016437000000000, 0.0008562900000000 ] - [ -0.0080183100000000, 0.0000753400000000, 0.0007653900000000 ] - [ 0.0018987100000000, -0.0043597800000000, -0.0014710100000000 ] - [ 0.0024063500000000, -0.0000899500000000, -0.0001309500000000 ] - [ 0.0027235500000000, -0.0003140600000000, -0.0001192100000000 ] - [ 0.0013278100000000, -0.0030974600000000, -0.0007365800000000 ] - [ 0.0027558000000000, 0.0003002900000000, -0.0000535000000000 ] - [ 0.0023646600000000, -0.0004241700000000, -0.0000265100000000 ] - [ 0.0014111600000000, 0.0040514400000000, -0.0000619900000000 ] - [ 0.0023282300000000, 0.0004408300000000, 0.0000286600000000 ] - [ 0.0024824000000000, -0.0001987600000000, -0.0001427300000000 ] - [ 0.0019531700000000, 0.0047706100000000, -0.0001513700000000 ] - [ -0.0639861800000000, 0.0367517200000000, -0.0451683400000000 ] - [ -0.0080345400000000, -0.0080902200000000, 0.0002188000000000 ] - [ 0.0059786000000000, 0.0008389500000000, 0.0001449000000000 ] - [ 0.0039981200000000, -0.0000429800000000, 0.0000729500000000 ] - [ 0.0052174600000000, 0.0006691700000000, 0.0000949900000000 ] - [ 0.0023274800000000, 0.0000973700000000, 0.0000708700000000 ] - [ 0.0049090300000000, -0.0001943400000000, 0.0001989300000000 ] - [ 0.0019617800000000, 0.0003023200000000, 0.0000911200000000 ] - [ -0.0237414700000000, 0.0060943800000000, 0.0031028400000000 ] - [ 0.0037653300000000, -0.0001673600000000, -0.0002729300000000 ] - [ 0.0046085700000000, 0.0000893100000000, -0.0000396100000000 ] - [ -0.0062322800000000, -0.0023729500000000, -0.0002886800000000 ] - [ -0.0226366100000000, 0.0043472900000000, -0.0082562600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003526200000000, 0.0000985600000000, 0.0000420600000000 ] - [ -0.0006612800000000, -0.0003716300000000, 0.0000427200000000 ] - [ -0.0004243400000000, 0.0023648100000000, -0.0004905300000000 ] - [ 0.0039151200000000, 0.0102330600000000, -0.0073605800000000 ] - [ 0.0000268100000000, 0.0003125900000000, 0.0000132200000000 ] - [ -0.0008157300000000, -0.0003383200000000, -0.0001069600000000 ] - [ 0.0007359500000000, 0.0044868800000000, 0.0007094500000000 ] - [ -0.0035747300000000, 0.0065152900000000, 0.0001660700000000 ] - [ 0.0007874600000000, 0.0062553900000000, -0.0028251800000000 ] - [ -0.0031776900000000, -0.0004940800000000, 0.0003082300000000 ] - [ -0.0002723400000000, 0.0001159800000000, 0.0000890200000000 ] - [ -0.0004018300000000, -0.0001463700000000, 0.0001584800000000 ] - [ 0.0012696400000000, 0.0049576400000000, 0.0021301700000000 ] - [ -0.0046766000000000, -0.0002688000000000, -0.0010730100000000 ] - [ -0.0003908300000000, 0.0001526300000000, -0.0000320900000000 ] - [ -0.0003643200000000, -0.0002557000000000, -0.0000236900000000 ] - [ 0.0005611000000000, 0.0018501200000000, -0.0000592800000000 ] - [ -0.0011128600000000, 0.0003108800000000, -0.0000168700000000 ] - [ 0.0001012100000000, -0.0001636000000000, 0.0000390100000000 ] - [ -0.0007362400000000, -0.0018776100000000, 0.0005100000000000 ] - [ -0.0005461800000000, 0.0000677000000000, -0.0000045000000000 ] - [ -0.0024098400000000, 0.0004111200000000, -0.0002631400000000 ] - [ -0.0003319300000000, -0.0002048700000000, -0.0003700600000000 ] - [ 0.0002800300000000, 0.0006883800000000, -0.0000186100000000 ] - [ -0.0013108600000000, 0.0009498200000000, -0.0001337200000000 ] - [ -0.0004139900000000, -0.0003031200000000, -0.0003664200000000 ] - [ -0.0003411400000000, 0.0001654400000000, -0.0001528300000000 ] - [ 0.0002329400000000, -0.0007491100000000, -0.0000877200000000 ] - [ -0.0015695400000000, 0.0009309400000000, 0.0000113300000000 ] - [ -0.0005083200000000, -0.0002454700000000, 0.0000977200000000 ] - [ -0.0001135800000000, 0.0001877700000000, 0.0000515300000000 ] - [ 0.0022914100000000, -0.0004281600000000, 0.0003156200000000 ] - [ 0.0003435200000000, 0.0261835300000000, -0.0174019900000000 ] - [ 0.0026723200000000, -0.0026234400000000, 0.0011674700000000 ] - [ -0.0005000600000000, 0.0003584600000000, -0.0001715500000000 ] - [ -0.0001828200000000, -0.0000470200000000, -0.0001431600000000 ] - [ 0.0010805000000000, -0.0110668100000000, -0.0025253300000000 ] - [ 0.0016426200000000, 0.0006653600000000, 0.0007164900000000 ] - [ -0.0005240300000000, -0.0002334600000000, 0.0004043400000000 ] - [ -0.0002520000000000, 0.0002205100000000, 0.0004230600000000 ] - [ 0.0646898300000000, -0.1445433300000000, 0.1333677200000000 ] - [ 0.0012440500000000, 0.0005254700000000, -0.0003457500000000 ] - [ -0.0003510800000000, -0.0005420900000000, -0.0001182900000000 ] - [ -0.0004906200000000, 0.0004963800000000, -0.0000847500000000 ] - [ -0.0160008200000000, 0.0024549700000000, -0.0097581900000000 ] - [ 0.0004109600000000, -0.0002201600000000, 0.0000702000000000 ] - [ -0.0000545200000000, 0.0002464400000000, 0.0001011500000000 ] - [ -0.0000492500000000, -0.0009464900000000, -0.0001719400000000 ] - [ -0.0015030300000000, -0.0030818400000000, -0.0023304100000000 ] - [ -0.0028602700000000, 0.0018605400000000, 0.0009028600000000 ] - [ 0.0000212400000000, 0.0000092700000000, 0.0001837400000000 ] - [ 0.0003787100000000, -0.0000507100000000, 0.0001819600000000 ] - [ -0.0010642800000000, -0.0010462900000000, 0.0001874200000000 ] - [ 0.0008265700000000, -0.0000536700000000, 0.0002829900000000 ] - [ -0.0000997900000000, 0.0001378200000000, 0.0002066200000000 ] - [ 0.0015700900000000, 0.0004548200000000, 0.0002572100000000 ] - [ 0.0001993100000000, -0.0002205300000000, 0.0000663300000000 ] - [ 0.0004229400000000, 0.0003004800000000, 0.0000238500000000 ] - [ 0.0003544500000000, -0.0007140700000000, -0.0000807900000000 ] - [ -0.0024310700000000, -0.0027471400000000, -0.0024426500000000 ] - [ -0.0005253000000000, -0.0104056700000000, -0.0007059200000000 ] - [ 0.0039177200000000, -0.0018317100000000, 0.0012391900000000 ] - [ 0.0003905400000000, -0.0000235000000000, -0.0001072000000000 ] - [ 0.0007013900000000, 0.0002858700000000, -0.0000841600000000 ] - [ 0.0028110700000000, 0.0000708800000000, 0.0003279900000000 ] - [ 0.0003431400000000, 0.0004705200000000, 0.0000306900000000 ] - [ 0.0005207000000000, -0.0005000000000000, -0.0000404800000000 ] - [ -0.0010237000000000, -0.0003950700000000, -0.0013993600000000 ] - [ 0.0003715500000000, 0.0000222900000000, -0.0000300300000000 ] - [ 0.0004995200000000, -0.0002480800000000, -0.0000641200000000 ] - [ -0.0016341900000000, -0.0004578700000000, -0.0002503400000000 ] - [ -0.0355416700000000, 0.1041849600000000, -0.0830602400000000 ] - [ 0.0035480000000000, -0.0091773400000000, 0.0006309300000000 ] - [ 0.0014689500000000, 0.0026960900000000, -0.0002705800000000 ] - [ 0.0007550400000000, -0.0001504900000000, -0.0000162300000000 ] - [ -0.0001026400000000, 0.0006944900000000, 0.0001919200000000 ] - [ 0.0007210400000000, -0.0011555300000000, 0.0000511700000000 ] - [ 0.0014943600000000, -0.0000272700000000, 0.0001298400000000 ] - [ -0.0011419400000000, -0.0010559600000000, 0.0001200400000000 ] - [ -0.0025116900000000, 0.0145328400000000, -0.0009965800000000 ] - [ 0.0005895400000000, -0.0001156300000000, -0.0001904500000000 ] - [ 0.0010658700000000, 0.0001478700000000, -0.0001243500000000 ] - [ -0.0049322800000000, -0.0123005200000000, -0.0008653500000000 ] - [ -0.0069733800000000, 0.0137536800000000, -0.0087844100000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008764600000000, 0.0003631100000000, 0.0000256000000000 ] - [ 0.0001247100000000, -0.0000926400000000, 0.0000261800000000 ] - [ 0.0009439100000000, -0.0028241800000000, 0.0005549100000000 ] - [ -0.0043791000000000, -0.0097014400000000, 0.0073254100000000 ] - [ 0.0008088900000000, 0.0003091300000000, -0.0001033900000000 ] - [ -0.0000331600000000, -0.0002787700000000, 0.0000166400000000 ] - [ 0.0001109700000000, -0.0050985900000000, -0.0008080400000000 ] - [ 0.0027148600000000, -0.0058825600000000, -0.0002196800000000 ] - [ -0.0005884700000000, -0.0063379300000000, 0.0029968400000000 ] - [ 0.0029985300000000, 0.0005746300000000, -0.0001279200000000 ] - [ 0.0004513700000000, -0.0000165600000000, 0.0000951500000000 ] - [ 0.0002139400000000, 0.0000501400000000, 0.0000258200000000 ] - [ -0.0012875700000000, -0.0051139400000000, -0.0020872200000000 ] - [ 0.0046752400000000, 0.0004297000000000, 0.0011066400000000 ] - [ 0.0003551300000000, 0.0000093900000000, 0.0000733800000000 ] - [ 0.0003928100000000, 0.0000951100000000, 0.0000626200000000 ] - [ 0.0000480100000000, -0.0019623700000000, 0.0000625500000000 ] - [ 0.0005105800000000, -0.0002090900000000, 0.0000224600000000 ] - [ 0.0004976200000000, 0.0002724900000000, -0.0000356800000000 ] - [ 0.0001239500000000, 0.0017804000000000, -0.0005056400000000 ] - [ -0.0001939200000000, -0.0005246800000000, 0.0001122900000000 ] - [ 0.0025250000000000, 0.0001998400000000, -0.0003428200000000 ] - [ 0.0004490900000000, -0.0003798300000000, -0.0002322500000000 ] - [ -0.0004078800000000, -0.0001100700000000, -0.0005795700000000 ] - [ 0.0010488900000000, -0.0007777700000000, -0.0003714400000000 ] - [ 0.0006738500000000, 0.0001415600000000, -0.0001345600000000 ] - [ 0.0000704500000000, -0.0003283300000000, -0.0003505100000000 ] - [ 0.0000075500000000, 0.0008833900000000, -0.0003864000000000 ] - [ 0.0018961400000000, -0.0005962800000000, 0.0001837500000000 ] - [ 0.0001807300000000, -0.0000804100000000, 0.0000930100000000 ] - [ 0.0004305000000000, -0.0005142700000000, 0.0001421900000000 ] - [ -0.0026149500000000, 0.0007326400000000, -0.0001368000000000 ] - [ -0.0005701100000000, -0.0270267400000000, 0.0174070400000000 ] - [ -0.0024514000000000, 0.0030570600000000, -0.0014774400000000 ] - [ 0.0002894700000000, 0.0000619700000000, -0.0001408400000000 ] - [ 0.0003870700000000, -0.0003741100000000, -0.0001689100000000 ] - [ -0.0013640100000000, 0.0114725100000000, 0.0032094700000000 ] - [ -0.0013725900000000, -0.0010021900000000, 0.0000672400000000 ] - [ 0.0002412400000000, -0.0001109400000000, 0.0003807800000000 ] - [ 0.0005248600000000, 0.0001214300000000, 0.0003576400000000 ] - [ -0.0659449200000000, 0.1474059700000000, -0.1378132600000000 ] - [ -0.0013798800000000, -0.0014384300000000, 0.0001813700000000 ] - [ 0.0004735900000000, -0.0003737100000000, -0.0000460400000000 ] - [ 0.0003573700000000, 0.0004163800000000, -0.0000749100000000 ] - [ 0.0168184700000000, -0.0027817200000000, 0.0099103900000000 ] - [ -0.0011468000000000, 0.0006823400000000, 0.0000376300000000 ] - [ 0.0007939000000000, 0.0002110700000000, 0.0000048800000000 ] - [ -0.0000728200000000, 0.0003636800000000, -0.0004299300000000 ] - [ 0.0010755100000000, 0.0029677500000000, 0.0026995200000000 ] - [ 0.0032691700000000, -0.0018119000000000, -0.0005302000000000 ] - [ -0.0004405500000000, 0.0000592100000000, 0.0001845600000000 ] - [ 0.0000445900000000, -0.0000137900000000, 0.0001851700000000 ] - [ 0.0006443200000000, 0.0008518200000000, 0.0002222700000000 ] - [ -0.0004115800000000, 0.0002511200000000, 0.0001269200000000 ] - [ -0.0003056200000000, 0.0000619400000000, 0.0002038400000000 ] - [ -0.0011499100000000, -0.0006523100000000, 0.0001544700000000 ] - [ -0.0005808300000000, -0.0003160100000000, -0.0000083000000000 ] - [ -0.0000330300000000, 0.0002376100000000, 0.0000338900000000 ] - [ -0.0007348800000000, 0.0012499900000000, 0.0001377300000000 ] - [ 0.0028299200000000, 0.0022929800000000, 0.0025305800000000 ] - [ 0.0003303800000000, 0.0104686300000000, 0.0005325200000000 ] - [ -0.0037201700000000, 0.0017611800000000, -0.0014003300000000 ] - [ -0.0005750400000000, -0.0000577600000000, -0.0000724600000000 ] - [ -0.0005051800000000, -0.0002044100000000, -0.0000950100000000 ] - [ -0.0029690600000000, -0.0001603500000000, -0.0004561200000000 ] - [ -0.0001768400000000, -0.0003947900000000, -0.0001523500000000 ] - [ -0.0006760800000000, 0.0005766000000000, -0.0000816800000000 ] - [ 0.0011808100000000, 0.0003433600000000, 0.0012709300000000 ] - [ -0.0003508200000000, 0.0004428800000000, -0.0000585300000000 ] - [ -0.0005105000000000, -0.0002121500000000, -0.0000249200000000 ] - [ 0.0016505500000000, -0.0000253600000000, 0.0001631900000000 ] - [ 0.0371894500000000, -0.1057306500000000, 0.0872945900000000 ] - [ -0.0035116900000000, 0.0091760200000000, -0.0007421600000000 ] - [ -0.0015578400000000, -0.0027211100000000, 0.0001510300000000 ] - [ -0.0006512800000000, 0.0001163300000000, -0.0000982700000000 ] - [ 0.0000249200000000, -0.0006555000000000, -0.0003036100000000 ] - [ -0.0017740100000000, 0.0013431700000000, 0.0002372600000000 ] - [ -0.0004283900000000, -0.0001555800000000, 0.0001587000000000 ] - [ 0.0000988200000000, 0.0008666400000000, 0.0001682700000000 ] - [ 0.0035080900000000, -0.0142855700000000, 0.0013177100000000 ] - [ -0.0011415700000000, -0.0000073100000000, -0.0001401900000000 ] - [ -0.0004941600000000, -0.0000235300000000, -0.0002050500000000 ] - [ 0.0043927400000000, 0.0124424700000000, 0.0005367000000000 ] - [ 0.0072522000000000, -0.0137780200000000, 0.0081506700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006090200000000, 0.0003831800000000, 0.0000122400000000 ] - [ -0.0000491900000000, -0.0001651700000000, 0.0000323400000000 ] - [ -0.0004079800000000, -0.0011679500000000, 0.0001296700000000 ] - [ -0.0028802800000000, -0.0076652800000000, 0.0040596300000000 ] - [ 0.0006225900000000, 0.0003238800000000, -0.0000752900000000 ] - [ -0.0002101400000000, -0.0002811400000000, -0.0000051300000000 ] - [ -0.0002125800000000, -0.0034827000000000, -0.0010056000000000 ] - [ -0.0031661500000000, 0.0000651900000000, 0.0043273300000000 ] - [ -0.0003919400000000, -0.0027968000000000, 0.0019588200000000 ] - [ -0.0001735300000000, 0.0002569400000000, -0.0012760600000000 ] - [ 0.0002895200000000, 0.0000301800000000, 0.0001043300000000 ] - [ 0.0000345600000000, -0.0000225200000000, 0.0000500400000000 ] - [ -0.0007304400000000, -0.0021141800000000, -0.0016160900000000 ] - [ 0.0035692200000000, -0.0004566600000000, 0.0025315600000000 ] - [ 0.0001904800000000, 0.0000554300000000, 0.0000488200000000 ] - [ 0.0001778900000000, -0.0000202800000000, 0.0000456900000000 ] - [ 0.0009074600000000, -0.0013821700000000, 0.0001586800000000 ] - [ 0.0000478000000000, -0.0001785900000000, -0.0000569000000000 ] - [ 0.0004200100000000, 0.0001986500000000, 0.0000050700000000 ] - [ -0.0012013400000000, 0.0019477000000000, -0.0010792900000000 ] - [ -0.0002031000000000, -0.0004652700000000, 0.0000947700000000 ] - [ 0.0000042800000000, 0.0019118600000000, 0.0005793900000000 ] - [ 0.0002354800000000, -0.0003462700000000, -0.0002711300000000 ] - [ -0.0001159700000000, -0.0001469700000000, -0.0001485300000000 ] - [ 0.0008191100000000, -0.0002403400000000, -0.0008038500000000 ] - [ 0.0004583400000000, 0.0000313200000000, -0.0001960500000000 ] - [ -0.0000545700000000, -0.0001478000000000, -0.0003165200000000 ] - [ -0.0012171900000000, -0.0015232700000000, 0.0025877800000000 ] - [ 0.0008667200000000, 0.0001032600000000, 0.0006393800000000 ] - [ 0.0000768000000000, -0.0001328800000000, 0.0000712100000000 ] - [ 0.0002619000000000, -0.0002883900000000, 0.0001489700000000 ] - [ -0.0001276400000000, 0.0000820300000000, -0.0010786000000000 ] - [ 0.0001531900000000, -0.0154007800000000, 0.0024191800000000 ] - [ 0.0025740500000000, 0.0030891900000000, 0.0011393500000000 ] - [ 0.0001202300000000, 0.0001095400000000, -0.0001468600000000 ] - [ 0.0002787600000000, -0.0003168000000000, -0.0001535800000000 ] - [ 0.0017036900000000, -0.0016562900000000, 0.0566896000000000 ] - [ -0.0007343800000000, 0.0000542100000000, -0.0003385800000000 ] - [ 0.0000709300000000, -0.0001343600000000, 0.0003668600000000 ] - [ 0.0003795200000000, 0.0001297700000000, 0.0003501200000000 ] - [ -0.0683197000000000, 0.1388156600000000, -0.2296644900000000 ] - [ -0.0008963100000000, -0.0001945900000000, 0.0005376700000000 ] - [ 0.0002832200000000, -0.0004212000000000, -0.0000646500000000 ] - [ 0.0002155800000000, 0.0004518500000000, -0.0000708200000000 ] - [ 0.0137241900000000, -0.0111758800000000, 0.0017269400000000 ] - [ -0.0001930300000000, 0.0009174200000000, 0.0000231700000000 ] - [ 0.0006144700000000, 0.0002102600000000, 0.0000256100000000 ] - [ -0.0000793900000000, 0.0000294200000000, -0.0003498200000000 ] - [ 0.0001703300000000, -0.0020386000000000, -0.0012247200000000 ] - [ 0.0034349000000000, 0.0004264300000000, 0.0004007100000000 ] - [ -0.0003360700000000, 0.0000495100000000, 0.0001844400000000 ] - [ 0.0001083600000000, -0.0000103800000000, 0.0001874900000000 ] - [ 0.0000647100000000, 0.0003826300000000, 0.0003200800000000 ] - [ -0.0000676400000000, 0.0002323700000000, 0.0001026600000000 ] - [ -0.0003109200000000, 0.0000625600000000, 0.0002113500000000 ] - [ -0.0009521600000000, -0.0005226200000000, -0.0000294200000000 ] - [ -0.0003577200000000, -0.0003529000000000, -0.0000028500000000 ] - [ 0.0000653000000000, 0.0002512700000000, 0.0000318200000000 ] - [ -0.0003582400000000, 0.0007490300000000, 0.0001180100000000 ] - [ -0.0005806900000000, -0.0035029100000000, -0.0001418700000000 ] - [ 0.0002940400000000, 0.0050346200000000, 0.0009397900000000 ] - [ 0.0021160700000000, 0.0013766600000000, -0.0014379800000000 ] - [ -0.0003500400000000, -0.0000614100000000, -0.0000810400000000 ] - [ -0.0002228800000000, -0.0001355400000000, -0.0000913600000000 ] - [ -0.0009475600000000, -0.0011225100000000, 0.0005140700000000 ] - [ -0.0001028100000000, -0.0001896000000000, -0.0001348800000000 ] - [ -0.0003437400000000, 0.0002875000000000, -0.0000658700000000 ] - [ -0.0005175000000000, 0.0008258400000000, -0.0005398800000000 ] - [ -0.0002645100000000, 0.0003552100000000, -0.0000648000000000 ] - [ -0.0002635200000000, -0.0002071600000000, -0.0000323300000000 ] - [ -0.0000214700000000, -0.0024605800000000, 0.0002420700000000 ] - [ 0.0463065200000000, -0.0898165300000000, 0.1374023500000000 ] - [ -0.0022884400000000, 0.0055453800000000, -0.0013073700000000 ] - [ -0.0013164700000000, -0.0006537700000000, 0.0006881200000000 ] - [ -0.0003010600000000, 0.0000185800000000, -0.0000787700000000 ] - [ 0.0002072200000000, 0.0001489400000000, 0.0001825400000000 ] - [ -0.0015428400000000, 0.0006578400000000, 0.0001581900000000 ] - [ 0.0000173100000000, -0.0000677700000000, 0.0001569000000000 ] - [ -0.0001152000000000, -0.0000412500000000, 0.0000727500000000 ] - [ -0.0084543500000000, -0.0032383000000000, 0.0087166600000000 ] - [ -0.0007740800000000, -0.0000598800000000, -0.0001487800000000 ] - [ -0.0001275900000000, 0.0000300700000000, -0.0001906000000000 ] - [ 0.0029861000000000, 0.0044368200000000, 0.0003752800000000 ] - [ 0.0168024600000000, -0.0132619700000000, 0.0124208700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000774500000000, 0.0000858200000000, 0.0000595000000000 ] - [ -0.0004910600000000, -0.0003077000000000, 0.0000393800000000 ] - [ 0.0009471000000000, 0.0007062800000000, -0.0000627200000000 ] - [ 0.0023871700000000, 0.0082276700000000, -0.0039763900000000 ] - [ 0.0002083300000000, 0.0003000900000000, -0.0000110100000000 ] - [ -0.0006306600000000, -0.0003419600000000, -0.0000814400000000 ] - [ 0.0010712500000000, 0.0028944200000000, 0.0009357800000000 ] - [ 0.0023521200000000, 0.0005686600000000, -0.0044473000000000 ] - [ 0.0005777900000000, 0.0027176000000000, -0.0017902100000000 ] - [ 0.0000051100000000, -0.0001646300000000, 0.0014808400000000 ] - [ -0.0001123100000000, 0.0000768900000000, 0.0000873600000000 ] - [ -0.0002167600000000, -0.0000836700000000, 0.0001422100000000 ] - [ 0.0007081100000000, 0.0019604000000000, 0.0016713900000000 ] - [ -0.0035937700000000, 0.0006215000000000, -0.0025235800000000 ] - [ -0.0002246500000000, 0.0001082800000000, -0.0000049000000000 ] - [ -0.0001480900000000, -0.0001434500000000, -0.0000029800000000 ] - [ -0.0003116100000000, 0.0012889600000000, -0.0001540000000000 ] - [ -0.0006514000000000, 0.0002794200000000, 0.0000625200000000 ] - [ 0.0001791600000000, -0.0000993900000000, -0.0000012000000000 ] - [ 0.0006140700000000, -0.0020718600000000, 0.0010898900000000 ] - [ -0.0005581600000000, 0.0000083600000000, 0.0000101000000000 ] - [ 0.0001000300000000, -0.0013366800000000, -0.0011935600000000 ] - [ -0.0001282100000000, -0.0002417000000000, -0.0003363600000000 ] - [ 0.0000003300000000, 0.0007336700000000, -0.0004575100000000 ] - [ -0.0010885100000000, 0.0004009600000000, 0.0003082700000000 ] - [ -0.0001981900000000, -0.0001941600000000, -0.0003047100000000 ] - [ -0.0002126400000000, -0.0000132300000000, -0.0001843000000000 ] - [ 0.0014784700000000, 0.0016796300000000, -0.0030975000000000 ] - [ -0.0005476400000000, 0.0002267900000000, -0.0004538000000000 ] - [ -0.0004039100000000, -0.0001953200000000, 0.0001184500000000 ] - [ 0.0000592300000000, -0.0000380700000000, 0.0000404200000000 ] - [ -0.0002108800000000, 0.0002502500000000, 0.0012852200000000 ] - [ -0.0003420800000000, 0.0150096000000000, -0.0028427600000000 ] - [ -0.0023906100000000, -0.0027121700000000, -0.0014325000000000 ] - [ -0.0003264800000000, 0.0002942200000000, -0.0001647500000000 ] - [ -0.0000770500000000, -0.0000865200000000, -0.0001580300000000 ] - [ -0.0018857700000000, 0.0018775100000000, -0.0554660500000000 ] - [ 0.0010170900000000, -0.0003854000000000, 0.0011068400000000 ] - [ -0.0003495300000000, -0.0001968300000000, 0.0003951900000000 ] - [ -0.0001085400000000, 0.0001988800000000, 0.0004094900000000 ] - [ 0.0655603000000000, -0.1324064600000000, 0.2242324800000000 ] - [ 0.0007794400000000, -0.0007241500000000, -0.0007078500000000 ] - [ -0.0001623000000000, -0.0004938100000000, -0.0000987300000000 ] - [ -0.0003450500000000, 0.0004600200000000, -0.0000894900000000 ] - [ -0.0130053300000000, 0.0107273700000000, -0.0017420600000000 ] - [ -0.0005647100000000, -0.0004645800000000, 0.0000815300000000 ] - [ 0.0001458100000000, 0.0002484400000000, 0.0000784600000000 ] - [ -0.0000306200000000, -0.0006203200000000, -0.0002569000000000 ] - [ -0.0005966200000000, 0.0019579700000000, 0.0015623100000000 ] - [ -0.0030280700000000, -0.0003601300000000, -0.0000086400000000 ] - [ -0.0000814200000000, 0.0000188100000000, 0.0001851700000000 ] - [ 0.0003140700000000, -0.0000570400000000, 0.0001819400000000 ] - [ -0.0004806900000000, -0.0005776000000000, 0.0000879700000000 ] - [ 0.0004817000000000, -0.0000380700000000, 0.0003085800000000 ] - [ -0.0000994200000000, 0.0001327700000000, 0.0001980800000000 ] - [ 0.0013758800000000, 0.0003299200000000, 0.0004399000000000 ] - [ -0.0000280100000000, -0.0001847200000000, 0.0000606500000000 ] - [ 0.0003279200000000, 0.0002874500000000, 0.0000250800000000 ] - [ -0.0000259600000000, -0.0002181200000000, -0.0000624100000000 ] - [ 0.0009791600000000, 0.0029891400000000, 0.0002444600000000 ] - [ -0.0004858600000000, -0.0049780100000000, -0.0011220400000000 ] - [ -0.0019585000000000, -0.0014688500000000, 0.0012915100000000 ] - [ 0.0001775100000000, -0.0000161700000000, -0.0000977100000000 ] - [ 0.0004038100000000, 0.0002139200000000, -0.0000867700000000 ] - [ 0.0008065100000000, 0.0010542900000000, -0.0006345800000000 ] - [ 0.0002568700000000, 0.0002686800000000, 0.0000151100000000 ] - [ 0.0001965800000000, -0.0002126300000000, -0.0000545300000000 ] - [ 0.0006715900000000, -0.0009002000000000, 0.0004223900000000 ] - [ 0.0002664300000000, 0.0001080600000000, -0.0000235400000000 ] - [ 0.0002694200000000, -0.0002552400000000, -0.0000562200000000 ] - [ 0.0000154500000000, 0.0020114100000000, -0.0003328600000000 ] - [ -0.0432675600000000, 0.0842503300000000, -0.1315359900000000 ] - [ 0.0024131700000000, -0.0055506000000000, 0.0012005500000000 ] - [ 0.0012123100000000, 0.0006261400000000, -0.0008131000000000 ] - [ 0.0004240200000000, -0.0000569600000000, -0.0000352100000000 ] - [ -0.0003221800000000, -0.0001158100000000, -0.0002983700000000 ] - [ 0.0004692000000000, -0.0004724400000000, 0.0001349000000000 ] - [ 0.0010712200000000, -0.0001170300000000, 0.0001369600000000 ] - [ -0.0009669500000000, -0.0001464600000000, 0.0002218100000000 ] - [ 0.0099631100000000, 0.0034792700000000, -0.0087231900000000 ] - [ 0.0002205600000000, -0.0000554300000000, -0.0001847200000000 ] - [ 0.0006953100000000, 0.0000854000000000, -0.0001416300000000 ] - [ -0.0035738600000000, -0.0043520900000000, -0.0007136200000000 ] - [ -0.0168936600000000, 0.0136904000000000, -0.0133850000000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010368500000000, -0.0000546500000000, 0.0000175500000000 ] - [ -0.0014420800000000, -0.0004698400000000, 0.0000520000000000 ] - [ 0.0011167100000000, -0.0013045000000000, -0.0000201100000000 ] - [ 0.0020348800000000, -0.0000125800000000, -0.0000016800000000 ] - [ -0.0007350600000000, 0.0003965500000000, 0.0001050000000000 ] - [ -0.0015709800000000, -0.0002456400000000, -0.0002000500000000 ] - [ 0.0036271300000000, -0.0008855800000000, -0.0004079600000000 ] - [ 0.0016287600000000, 0.0000905300000000, 0.0001680700000000 ] - [ 0.0052909000000000, 0.0011814600000000, 0.0005003900000000 ] - [ 0.0010160600000000, 0.0008776300000000, 0.0003399500000000 ] - [ -0.0010583200000000, 0.0002489800000000, 0.0001147100000000 ] - [ -0.0012013500000000, 0.0000368900000000, 0.0001016200000000 ] - [ 0.0033025200000000, 0.0023431500000000, -0.0004553200000000 ] - [ 0.0008765300000000, 0.0009279300000000, -0.0002241400000000 ] - [ -0.0012333500000000, 0.0002928300000000, -0.0001808900000000 ] - [ -0.0011450100000000, -0.0000023800000000, 0.0001946200000000 ] - [ 0.0000745200000000, 0.0004774600000000, -0.0000316100000000 ] - [ -0.0011250400000000, 0.0003405300000000, 0.0000062900000000 ] - [ -0.0010529900000000, -0.0001163200000000, 0.0000393700000000 ] - [ -0.0026641600000000, -0.0017598000000000, -0.0006287400000000 ] - [ -0.0013130800000000, -0.0001576500000000, -0.0000347200000000 ] - [ 0.0112873000000000, -0.0000069900000000, -0.0002313400000000 ] - [ -0.0010401500000000, -0.0004475200000000, -0.0004228500000000 ] - [ -0.0007362400000000, 0.0003724700000000, -0.0002102400000000 ] - [ -0.0021139100000000, 0.0011821000000000, -0.0014965600000000 ] - [ -0.0008957000000000, 0.0003089700000000, -0.0001872000000000 ] - [ -0.0013495200000000, -0.0005957700000000, -0.0003803500000000 ] - [ -0.0003735300000000, -0.0003733700000000, -0.0001255600000000 ] - [ -0.0024743300000000, 0.0012488100000000, 0.0013193400000000 ] - [ -0.0014101800000000, 0.0001777700000000, -0.0001286000000000 ] - [ -0.0010393100000000, -0.0008458800000000, 0.0003780800000000 ] - [ -0.0005560800000000, -0.0003621000000000, -0.0002021200000000 ] - [ 0.0074708400000000, 0.0008860700000000, 0.0001484000000000 ] - [ -0.0021444400000000, 0.0046649400000000, -0.0000215300000000 ] - [ -0.0012704600000000, 0.0005078300000000, -0.0002086400000000 ] - [ -0.0010094500000000, 0.0001141900000000, -0.0001073900000000 ] - [ 0.0052620500000000, -0.0008641800000000, 0.0002008600000000 ] - [ -0.0022575900000000, -0.0023403600000000, 0.0032850800000000 ] - [ -0.0012504500000000, -0.0003549700000000, 0.0004421600000000 ] - [ -0.0009960800000000, 0.0000522500000000, 0.0003679100000000 ] - [ 0.0045519900000000, -0.0008185800000000, 0.0002996600000000 ] - [ -0.0030832300000000, -0.0035133500000000, -0.0033052500000000 ] - [ -0.0011272900000000, -0.0006872400000000, -0.0002119500000000 ] - [ -0.0012978000000000, 0.0002886000000000, 0.0000201600000000 ] - [ 0.0021169900000000, -0.0015325400000000, -0.0004933200000000 ] - [ -0.0025616700000000, 0.0005156800000000, -0.0000570300000000 ] - [ -0.0007029200000000, 0.0001108000000000, 0.0001401500000000 ] - [ -0.0013245700000000, 0.0003260600000000, -0.0002060800000000 ] - [ -0.0332076700000000, -0.0042545100000000, 0.0046332100000000 ] - [ -0.0000021200000000, -0.0013502300000000, 0.0001917500000000 ] - [ 0.0004926900000000, 0.0000152100000000, 0.0001820700000000 ] - [ 0.0008724300000000, -0.0000555400000000, 0.0001850200000000 ] - [ -0.0002323800000000, -0.0006587800000000, 0.0001903800000000 ] - [ 0.0005253200000000, 0.0000991600000000, 0.0002252600000000 ] - [ 0.0006215700000000, 0.0001053900000000, 0.0001701600000000 ] - [ 0.0009263100000000, 0.0002116300000000, 0.0001070500000000 ] - [ 0.0006316200000000, -0.0002478100000000, 0.0000576600000000 ] - [ 0.0009131900000000, 0.0002733900000000, 0.0000073800000000 ] - [ -0.0002353200000000, 0.0010720700000000, -0.0000596600000000 ] - [ -0.0006711700000000, -0.0002913400000000, 0.0000508000000000 ] - [ -0.0054216400000000, -0.0025999100000000, 0.0002304800000000 ] - [ -0.0020967000000000, -0.0000200800000000, -0.0002677800000000 ] - [ 0.0014045400000000, -0.0000921800000000, -0.0001052900000000 ] - [ 0.0016192400000000, 0.0001451300000000, -0.0000482000000000 ] - [ 0.0065390800000000, -0.0004291400000000, 0.0008862800000000 ] - [ 0.0016897500000000, -0.0003068900000000, -0.0000508900000000 ] - [ 0.0012445600000000, 0.0004671100000000, -0.0001120300000000 ] - [ 0.0006558400000000, 0.0000642800000000, -0.0001259700000000 ] - [ 0.0013594100000000, 0.0001202100000000, 0.0000171300000000 ] - [ 0.0014124600000000, -0.0002169600000000, -0.0001005700000000 ] - [ 0.0153462700000000, 0.0009056800000000, -0.0005956200000000 ] - [ -0.0059736500000000, 0.0021915400000000, -0.0008514700000000 ] - [ 0.0011510000000000, -0.0047484500000000, -0.0038736900000000 ] - [ 0.0022416600000000, -0.0024037500000000, -0.0003176100000000 ] - [ 0.0025443500000000, 0.0000952900000000, -0.0000018700000000 ] - [ 0.0019195100000000, 0.0005852000000000, -0.0001411700000000 ] - [ 0.0019677100000000, -0.0007763400000000, 0.0000822500000000 ] - [ 0.0028947900000000, -0.0002041300000000, 0.0001963200000000 ] - [ 0.0029713000000000, 0.0012740100000000, 0.0003675800000000 ] - [ 0.0024427900000000, 0.0099437100000000, 0.0011585300000000 ] - [ 0.0022245000000000, -0.0000875200000000, -0.0002407200000000 ] - [ 0.0027085100000000, 0.0000889000000000, -0.0000913500000000 ] - [ -0.0084260200000000, 0.0050001100000000, 0.0000960500000000 ] - [ -0.0061177200000000, -0.0041331300000000, -0.0001115800000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015681900000000, 0.0005156200000000, 0.0000516600000000 ] - [ 0.0009109600000000, 0.0000051100000000, 0.0000179200000000 ] - [ -0.0005936700000000, 0.0008529900000000, 0.0000886900000000 ] - [ -0.0025658300000000, 0.0004712600000000, 0.0000758800000000 ] - [ 0.0015796000000000, 0.0002239800000000, -0.0001955700000000 ] - [ 0.0007254000000000, -0.0003735800000000, 0.0001106800000000 ] - [ -0.0027847200000000, 0.0002641700000000, 0.0003197100000000 ] - [ -0.0024819600000000, 0.0005307800000000, -0.0002590500000000 ] - [ -0.0050922000000000, -0.0012821900000000, -0.0003372600000000 ] - [ -0.0012055900000000, -0.0007855000000000, -0.0001581900000000 ] - [ 0.0012433600000000, -0.0001501100000000, 0.0000716900000000 ] - [ 0.0010217600000000, -0.0001366100000000, 0.0000853300000000 ] - [ -0.0033218800000000, -0.0025102500000000, 0.0005001100000000 ] - [ -0.0008505100000000, -0.0007691700000000, 0.0002676900000000 ] - [ 0.0012040700000000, -0.0001324100000000, 0.0002241400000000 ] - [ 0.0011828400000000, -0.0001614300000000, -0.0001568900000000 ] - [ 0.0005307000000000, -0.0005816300000000, 0.0000364300000000 ] - [ 0.0005259700000000, -0.0002372100000000, -0.0000014500000000 ] - [ 0.0016606300000000, 0.0002237600000000, -0.0000362600000000 ] - [ 0.0020627100000000, 0.0016502200000000, 0.0006344000000000 ] - [ 0.0005796200000000, -0.0002976000000000, 0.0001426700000000 ] - [ -0.0102299400000000, 0.0006179800000000, -0.0004066000000000 ] - [ 0.0011661200000000, -0.0001372300000000, -0.0001786800000000 ] - [ 0.0006146800000000, 0.0002121900000000, -0.0003909600000000 ] - [ 0.0018433700000000, -0.0010184200000000, 0.0009922500000000 ] - [ 0.0011620800000000, -0.0004731400000000, -0.0003150600000000 ] - [ 0.0010863000000000, 0.0004349200000000, -0.0001217900000000 ] - [ 0.0006417800000000, 0.0005364000000000, -0.0003772500000000 ] - [ 0.0028052300000000, -0.0009256200000000, -0.0011298400000000 ] - [ 0.0010890900000000, -0.0005070000000000, 0.0003213700000000 ] - [ 0.0013653900000000, 0.0005223600000000, -0.0001878900000000 ] - [ 0.0002332400000000, 0.0006868900000000, 0.0003889600000000 ] - [ -0.0076736700000000, -0.0013128700000000, -0.0004631700000000 ] - [ 0.0022239200000000, -0.0042270300000000, -0.0002881600000000 ] - [ 0.0010688100000000, -0.0000923100000000, -0.0001036200000000 ] - [ 0.0012183000000000, -0.0005334200000000, -0.0002053200000000 ] - [ -0.0055243600000000, 0.0012196000000000, 0.0005848500000000 ] - [ 0.0025492500000000, 0.0020160100000000, -0.0025292800000000 ] - [ 0.0009755200000000, 0.0000131400000000, 0.0003401100000000 ] - [ 0.0012735900000000, 0.0002885000000000, 0.0004109300000000 ] - [ -0.0044140500000000, 0.0017580300000000, -0.0004631600000000 ] - [ 0.0029576500000000, 0.0026187100000000, 0.0031639500000000 ] - [ 0.0012582500000000, -0.0002263200000000, 0.0000487500000000 ] - [ 0.0011687400000000, 0.0006230600000000, -0.0001801300000000 ] - [ -0.0013601100000000, 0.0010667500000000, 0.0005912100000000 ] - [ 0.0018361900000000, -0.0000644000000000, 0.0001652000000000 ] - [ 0.0014490600000000, 0.0003481300000000, -0.0000345800000000 ] - [ 0.0012062300000000, -0.0009154500000000, -0.0003956300000000 ] - [ 0.0320636100000000, 0.0040394800000000, -0.0041805600000000 ] - [ 0.0004308600000000, 0.0014254400000000, 0.0001758700000000 ] - [ -0.0009173200000000, 0.0000519900000000, 0.0001869100000000 ] - [ -0.0004512600000000, -0.0000097500000000, 0.0001829800000000 ] - [ -0.0001808200000000, 0.0004596200000000, 0.0002197800000000 ] - [ -0.0001119000000000, 0.0000974300000000, 0.0001847900000000 ] - [ -0.0010306700000000, 0.0000942100000000, 0.0002411600000000 ] - [ -0.0005151300000000, -0.0004079400000000, 0.0003033900000000 ] - [ -0.0010169200000000, -0.0002875900000000, 0.0000004600000000 ] - [ -0.0005259700000000, 0.0002643900000000, 0.0000507100000000 ] - [ -0.0001494700000000, -0.0005414300000000, 0.0001183500000000 ] - [ 0.0010569700000000, -0.0002470000000000, 0.0000076900000000 ] - [ 0.0052286900000000, 0.0027144200000000, -0.0004154400000000 ] - [ 0.0023006100000000, -0.0000638500000000, 0.0000926400000000 ] - [ -0.0015967900000000, 0.0000115900000000, -0.0000728800000000 ] - [ -0.0014313900000000, -0.0000624800000000, -0.0001288300000000 ] - [ -0.0066642000000000, 0.0003662400000000, -0.0010252700000000 ] - [ -0.0015308700000000, 0.0003833500000000, -0.0000722500000000 ] - [ -0.0014084900000000, -0.0003951000000000, -0.0000098800000000 ] - [ -0.0004966100000000, -0.0001377900000000, 0.0000037700000000 ] - [ -0.0013467700000000, 0.0003418400000000, -0.0001075200000000 ] - [ -0.0014301300000000, -0.0002434300000000, 0.0000102600000000 ] - [ -0.0155984200000000, -0.0013588600000000, 0.0005108300000000 ] - [ 0.0058876200000000, -0.0017526600000000, 0.0007673100000000 ] - [ -0.0010683700000000, 0.0047505600000000, 0.0037310500000000 ] - [ -0.0023346400000000, 0.0023786700000000, 0.0002031700000000 ] - [ -0.0024542000000000, -0.0001322000000000, -0.0001121200000000 ] - [ -0.0020176900000000, -0.0005492600000000, 0.0000281600000000 ] - [ -0.0030260200000000, 0.0009599900000000, 0.0002084500000000 ] - [ -0.0018410400000000, 0.0000215400000000, 0.0000934500000000 ] - [ -0.0040424100000000, -0.0014660900000000, -0.0000780000000000 ] - [ -0.0013867100000000, -0.0096899900000000, -0.0008622800000000 ] - [ -0.0027892700000000, -0.0000349700000000, -0.0000903800000000 ] - [ -0.0021508200000000, 0.0000341100000000, -0.0002388500000000 ] - [ 0.0079344300000000, -0.0048669600000000, -0.0004268800000000 ] - [ 0.0067214200000000, 0.0040028200000000, -0.0002187900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002852300000000, 0.0003558400000000, 0.0000414200000000 ] - [ -0.0002788000000000, -0.0002149600000000, 0.0000387800000000 ] - [ -0.0001875500000000, -0.0013551900000000, 0.0001873500000000 ] - [ 0.0001440000000000, -0.0046542900000000, -0.0000120500000000 ] - [ 0.0003821300000000, 0.0003456400000000, -0.0000436200000000 ] - [ -0.0004575500000000, -0.0002700200000000, -0.0000368100000000 ] - [ -0.0009254400000000, -0.0049499900000000, 0.0001059500000000 ] - [ -0.0006945400000000, -0.0023206700000000, 0.0003918200000000 ] - [ 0.0012482000000000, 0.0000171700000000, -0.0014026200000000 ] - [ 0.0004673700000000, -0.0009883200000000, -0.0004663700000000 ] - [ 0.0000490700000000, 0.0000858000000000, 0.0001134800000000 ] - [ -0.0001749300000000, -0.0000180300000000, 0.0000712300000000 ] - [ 0.0016264800000000, -0.0029221000000000, 0.0023083600000000 ] - [ 0.0003262200000000, -0.0007581000000000, 0.0004279000000000 ] - [ -0.0000619400000000, 0.0001174900000000, 0.0000028100000000 ] - [ -0.0000995400000000, -0.0000352300000000, 0.0000687600000000 ] - [ 0.0013585900000000, -0.0009523400000000, -0.0001339400000000 ] - [ -0.0001851000000000, -0.0003328000000000, 0.0000126500000000 ] - [ 0.0002144900000000, 0.0002879000000000, 0.0000032400000000 ] - [ -0.0006340100000000, 0.0006537900000000, 0.0001790100000000 ] - [ -0.0003207900000000, -0.0004004100000000, 0.0000947600000000 ] - [ 0.0001928200000000, 0.0039364300000000, -0.0000178600000000 ] - [ -0.0000379200000000, -0.0004054000000000, -0.0002934400000000 ] - [ -0.0001305700000000, -0.0000874400000000, -0.0003758400000000 ] - [ 0.0003790900000000, 0.0006701400000000, -0.0007577800000000 ] - [ 0.0002717300000000, -0.0000160600000000, -0.0001461500000000 ] - [ -0.0003651900000000, -0.0002384200000000, -0.0003854400000000 ] - [ -0.0005428800000000, -0.0007318100000000, 0.0001228200000000 ] - [ 0.0001808100000000, 0.0005254500000000, 0.0003784700000000 ] - [ -0.0000316900000000, -0.0001046900000000, 0.0000275300000000 ] - [ -0.0001093100000000, -0.0003577500000000, 0.0002562000000000 ] - [ -0.0007937500000000, -0.0010147100000000, -0.0004601500000000 ] - [ 0.0005174500000000, 0.0076239400000000, 0.0001306800000000 ] - [ 0.0039680600000000, 0.0023690800000000, -0.0003581500000000 ] - [ -0.0001286600000000, 0.0001736600000000, -0.0001573700000000 ] - [ 0.0000730600000000, -0.0002668200000000, -0.0001502800000000 ] - [ -0.0007882600000000, 0.0013034000000000, 0.0006153900000000 ] - [ -0.0018303000000000, 0.0018085600000000, 0.0004128200000000 ] - [ -0.0001589100000000, -0.0001827800000000, 0.0003820600000000 ] - [ 0.0001617100000000, 0.0001291400000000, 0.0003544700000000 ] - [ -0.0010250400000000, -0.0025513300000000, -0.0020893600000000 ] - [ -0.0031528300000000, 0.0013661600000000, -0.0004779900000000 ] - [ 0.0000366700000000, -0.0004825900000000, -0.0000972000000000 ] - [ -0.0000298600000000, 0.0004393100000000, -0.0000577900000000 ] - [ -0.0015790600000000, 0.0025801000000000, 0.0000349500000000 ] - [ -0.0001586000000000, 0.0017777900000000, 0.0002707300000000 ] - [ 0.0003650700000000, 0.0001668700000000, 0.0000425800000000 ] - [ 0.0001154200000000, 0.0002041500000000, -0.0003780600000000 ] - [ -0.0044315000000000, -0.0222058500000000, 0.0011531500000000 ] - [ -0.0011784900000000, -0.0006710000000000, 0.0001996600000000 ] - [ -0.0001890000000000, 0.0000448900000000, 0.0001843700000000 ] - [ 0.0002312200000000, -0.0000110500000000, 0.0001856000000000 ] - [ -0.0009630200000000, 0.0003726700000000, 0.0002093900000000 ] - [ 0.0001915900000000, 0.0002369800000000, 0.0001991100000000 ] - [ -0.0001912500000000, 0.0000322400000000, 0.0002067700000000 ] - [ 0.0005004000000000, -0.0002591300000000, 0.0002356300000000 ] - [ -0.0001915500000000, -0.0003314500000000, 0.0000293200000000 ] - [ 0.0002040900000000, 0.0002510300000000, 0.0000304400000000 ] - [ 0.0003337100000000, 0.0007840400000000, 0.0000340900000000 ] - [ 0.0002815700000000, 0.0019907000000000, 0.0000789900000000 ] - [ -0.0012095700000000, 0.0135049300000000, -0.0016664000000000 ] - [ 0.0003692800000000, 0.0017781600000000, -0.0001702800000000 ] - [ -0.0000463800000000, -0.0000892300000000, -0.0000844400000000 ] - [ 0.0001517900000000, -0.0000773100000000, -0.0001139800000000 ] - [ -0.0000513100000000, -0.0009408600000000, -0.0000538300000000 ] - [ -0.0000205500000000, -0.0001865700000000, -0.0000183000000000 ] - [ 0.0000365800000000, 0.0003703900000000, -0.0001377000000000 ] - [ 0.0000150200000000, 0.0015467700000000, 0.0001384100000000 ] - [ -0.0000328100000000, 0.0003052800000000, -0.0000448100000000 ] - [ 0.0000453000000000, -0.0001875900000000, -0.0000439600000000 ] - [ 0.0008305900000000, -0.0079883900000000, -0.0002741700000000 ] - [ 0.0032562300000000, -0.0053683300000000, -0.0022821500000000 ] - [ -0.0057265700000000, -0.0045005400000000, 0.0017010400000000 ] - [ -0.0015546200000000, 0.0003966800000000, 0.0000778300000000 ] - [ 0.0002740000000000, -0.0000271500000000, -0.0000613900000000 ] - [ 0.0004091200000000, 0.0002076600000000, -0.0000105600000000 ] - [ -0.0009830600000000, 0.0001079600000000, 0.0001102200000000 ] - [ 0.0004779100000000, 0.0000096400000000, 0.0001454100000000 ] - [ 0.0008846500000000, -0.0003202600000000, 0.0002114700000000 ] - [ 0.0101949200000000, 0.0061130900000000, 0.0011264700000000 ] - [ -0.0002482200000000, -0.0000934100000000, -0.0001644100000000 ] - [ 0.0003762000000000, 0.0000564200000000, -0.0001659400000000 ] - [ 0.0046827400000000, 0.0028931900000000, 0.0005401300000000 ] - [ -0.0042096400000000, 0.0119298900000000, -0.0002831100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002512900000000, 0.0001165700000000, 0.0000301600000000 ] - [ -0.0002576400000000, -0.0002590500000000, 0.0000333500000000 ] - [ 0.0007294100000000, 0.0008773600000000, -0.0001170600000000 ] - [ -0.0006868700000000, 0.0051296500000000, 0.0000926000000000 ] - [ 0.0004504300000000, 0.0002777400000000, -0.0000428700000000 ] - [ -0.0003770400000000, -0.0003527700000000, -0.0000491100000000 ] - [ 0.0017696300000000, 0.0043503100000000, -0.0001994500000000 ] - [ -0.0001316300000000, 0.0029429700000000, -0.0004751200000000 ] - [ -0.0010080700000000, -0.0003951600000000, 0.0015016400000000 ] - [ -0.0006385000000000, 0.0010966900000000, 0.0006564100000000 ] - [ 0.0001324800000000, 0.0000194900000000, 0.0000784000000000 ] - [ -0.0000045700000000, -0.0000883900000000, 0.0001215900000000 ] - [ -0.0016811700000000, 0.0027591000000000, -0.0022997600000000 ] - [ -0.0002870500000000, 0.0009253800000000, -0.0003838200000000 ] - [ 0.0000317600000000, 0.0000456600000000, 0.0000413800000000 ] - [ 0.0001325000000000, -0.0001288500000000, -0.0000261400000000 ] - [ -0.0007638900000000, 0.0008490000000000, 0.0001385200000000 ] - [ -0.0004116400000000, 0.0004325800000000, -0.0000076400000000 ] - [ 0.0003862900000000, -0.0001858400000000, 0.0000006700000000 ] - [ 0.0000384600000000, -0.0007486000000000, -0.0001727900000000 ] - [ -0.0004400300000000, -0.0000576000000000, 0.0000105300000000 ] - [ -0.0001412600000000, -0.0033496700000000, -0.0005935800000000 ] - [ 0.0001461800000000, -0.0001830900000000, -0.0003138100000000 ] - [ 0.0000193200000000, 0.0006728200000000, -0.0002305600000000 ] - [ -0.0006394500000000, -0.0005147100000000, 0.0002618600000000 ] - [ -0.0000065200000000, -0.0001443400000000, -0.0003540900000000 ] - [ 0.0000999800000000, 0.0000754800000000, -0.0001165800000000 ] - [ 0.0008046500000000, 0.0008940700000000, -0.0006238800000000 ] - [ 0.0001521700000000, -0.0002012100000000, -0.0001910100000000 ] - [ -0.0002910600000000, -0.0002242400000000, 0.0001636700000000 ] - [ 0.0004324100000000, 0.0000272900000000, -0.0000648800000000 ] - [ 0.0004645300000000, 0.0013415200000000, 0.0006465500000000 ] - [ -0.0007161200000000, -0.0080226400000000, -0.0004300300000000 ] - [ -0.0037976200000000, -0.0019117600000000, 0.0000456300000000 ] - [ -0.0000742500000000, 0.0002293400000000, -0.0001540600000000 ] - [ 0.0001318200000000, -0.0001377000000000, -0.0001611700000000 ] - [ 0.0005607500000000, -0.0007235000000000, 0.0000056500000000 ] - [ 0.0020977000000000, -0.0021535200000000, 0.0003560400000000 ] - [ -0.0001166500000000, -0.0001476900000000, 0.0003800600000000 ] - [ 0.0001144500000000, 0.0001998300000000, 0.0004065500000000 ] - [ 0.0011397200000000, 0.0034994600000000, 0.0019051800000000 ] - [ 0.0030258600000000, -0.0023081400000000, 0.0003061600000000 ] - [ 0.0000871700000000, -0.0004330300000000, -0.0000664500000000 ] - [ -0.0000938700000000, 0.0004742900000000, -0.0001039700000000 ] - [ 0.0023406500000000, -0.0030187600000000, 0.0000689700000000 ] - [ -0.0006005000000000, -0.0013183600000000, -0.0001660600000000 ] - [ 0.0004004600000000, 0.0002910500000000, 0.0000611900000000 ] - [ -0.0002224600000000, -0.0007896300000000, -0.0002293900000000 ] - [ 0.0038599900000000, 0.0221393200000000, -0.0004904400000000 ] - [ 0.0016013200000000, 0.0007269000000000, 0.0001692000000000 ] - [ -0.0002307900000000, 0.0000237900000000, 0.0001850200000000 ] - [ 0.0001890400000000, -0.0000567100000000, 0.0001833800000000 ] - [ 0.0005574800000000, -0.0005666700000000, 0.0001993600000000 ] - [ 0.0002175200000000, -0.0000415200000000, 0.0002111200000000 ] - [ -0.0002170800000000, 0.0001638400000000, 0.0002031800000000 ] - [ -0.0000905500000000, 0.0000619900000000, 0.0001744700000000 ] - [ -0.0001980700000000, -0.0002042000000000, 0.0000284900000000 ] - [ 0.0001903800000000, 0.0002844100000000, 0.0000267800000000 ] - [ -0.0007285500000000, -0.0002457900000000, 0.0000238500000000 ] - [ 0.0001117100000000, -0.0025296100000000, -0.0000183100000000 ] - [ 0.0010809800000000, -0.0135743000000000, 0.0014709500000000 ] - [ -0.0002023200000000, -0.0018560200000000, -0.0000067600000000 ] - [ -0.0001306700000000, 0.0000108000000000, -0.0000946400000000 ] - [ 0.0000256200000000, 0.0001544600000000, -0.0000649300000000 ] - [ -0.0001194600000000, 0.0008671500000000, -0.0000718700000000 ] - [ 0.0001725900000000, 0.0002623700000000, -0.0001019900000000 ] - [ -0.0001881800000000, -0.0002919700000000, 0.0000183800000000 ] - [ 0.0001418400000000, -0.0016242900000000, -0.0002561000000000 ] - [ 0.0000315400000000, 0.0001588700000000, -0.0000431200000000 ] - [ -0.0000435100000000, -0.0002750700000000, -0.0000438200000000 ] - [ -0.0007721900000000, 0.0075332200000000, 0.0001886500000000 ] - [ -0.0032484500000000, 0.0057496700000000, 0.0022015900000000 ] - [ 0.0058396600000000, 0.0045869700000000, -0.0018072600000000 ] - [ 0.0014375800000000, -0.0004406200000000, -0.0001930700000000 ] - [ -0.0001566700000000, -0.0000101100000000, -0.0000527700000000 ] - [ -0.0005224400000000, -0.0001740400000000, -0.0001031600000000 ] - [ -0.0000969100000000, 0.0000821700000000, 0.0001830500000000 ] - [ 0.0006022400000000, -0.0001943700000000, 0.0001475300000000 ] - [ -0.0019594900000000, 0.0001383500000000, 0.0000808700000000 ] - [ -0.0090303800000000, -0.0059131700000000, -0.0008264300000000 ] - [ -0.0003123200000000, -0.0000227000000000, -0.0001684900000000 ] - [ 0.0001849100000000, 0.0000587600000000, -0.0001664500000000 ] - [ -0.0052722500000000, -0.0027431900000000, -0.0008696600000000 ] - [ 0.0047236300000000, -0.0119680500000000, -0.0000560800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002802200000000, 0.0002477600000000, 0.0000396600000000 ] - [ -0.0002663000000000, -0.0002390600000000, 0.0000379300000000 ] - [ 0.0002355900000000, -0.0002473900000000, -0.0001390000000000 ] - [ -0.0002263000000000, -0.0000552900000000, 0.0010159800000000 ] - [ 0.0004176000000000, 0.0003142700000000, -0.0000414500000000 ] - [ -0.0004089800000000, -0.0003126700000000, -0.0000394600000000 ] - [ 0.0004550900000000, -0.0000071300000000, 0.0004899500000000 ] - [ -0.0004965200000000, 0.0003082300000000, -0.0001753700000000 ] - [ 0.0002885500000000, -0.0005932700000000, 0.0018795100000000 ] - [ -0.0000397500000000, -0.0000079000000000, 0.0001608100000000 ] - [ 0.0000934800000000, 0.0000560900000000, 0.0000999100000000 ] - [ -0.0000845500000000, -0.0000530600000000, 0.0000993500000000 ] - [ -0.0005854500000000, 0.0018736200000000, -0.0003095600000000 ] - [ 0.0000517100000000, 0.0000591400000000, 0.0000505400000000 ] - [ -0.0000114200000000, 0.0000840500000000, 0.0000237800000000 ] - [ 0.0000181900000000, -0.0000776100000000, 0.0000227600000000 ] - [ 0.0003300500000000, -0.0001541300000000, -0.0001339200000000 ] - [ -0.0002955400000000, 0.0000508300000000, 0.0000036800000000 ] - [ 0.0003144100000000, 0.0000597600000000, 0.0000149900000000 ] - [ -0.0001463400000000, 0.0000874300000000, -0.0000061100000000 ] - [ -0.0003944600000000, -0.0002369200000000, 0.0000510000000000 ] - [ -0.0003172600000000, 0.0002908300000000, 0.0012988300000000 ] - [ 0.0000486300000000, -0.0003019300000000, -0.0003061400000000 ] - [ -0.0000556100000000, 0.0002681200000000, -0.0003077100000000 ] - [ 0.0000315400000000, -0.0000280400000000, -0.0002698700000000 ] - [ 0.0001506300000000, -0.0000894600000000, -0.0002667600000000 ] - [ -0.0001335200000000, -0.0001109100000000, -0.0002916300000000 ] - [ 0.0001137500000000, -0.0000010000000000, -0.0002017400000000 ] - [ 0.0000914800000000, 0.0002628400000000, 0.0000753300000000 ] - [ -0.0001450000000000, -0.0001646200000000, 0.0001043200000000 ] - [ 0.0001435800000000, -0.0001217000000000, 0.0000554000000000 ] - [ -0.0002389800000000, 0.0002201400000000, 0.0001537900000000 ] - [ -0.0004173300000000, -0.0005116700000000, -0.0110223100000000 ] - [ 0.0001102600000000, 0.0001392300000000, 0.0022425300000000 ] - [ -0.0000962000000000, 0.0001917200000000, -0.0001547900000000 ] - [ 0.0001036000000000, -0.0001974000000000, -0.0001552100000000 ] - [ 0.0000906700000000, 0.0009426600000000, 0.0011789700000000 ] - [ 0.0023098800000000, 0.0004109500000000, 0.0001042100000000 ] - [ -0.0001327300000000, -0.0001589000000000, 0.0003716900000000 ] - [ 0.0001416800000000, 0.0001559300000000, 0.0003712900000000 ] - [ -0.0005665000000000, -0.0020692900000000, -0.0014568300000000 ] - [ -0.0023904300000000, -0.0011764000000000, 0.0001101700000000 ] - [ 0.0000651400000000, -0.0004571800000000, -0.0000817600000000 ] - [ -0.0000519200000000, 0.0004557300000000, -0.0000783300000000 ] - [ 0.0000979100000000, -0.0002131200000000, -0.0013278800000000 ] - [ -0.0004960900000000, 0.0003773600000000, 0.0003915300000000 ] - [ 0.0003950300000000, 0.0002279100000000, 0.0000509000000000 ] - [ 0.0000120100000000, -0.0003217700000000, -0.0003309400000000 ] - [ 0.0041592100000000, 0.0007573900000000, -0.0132752400000000 ] - [ 0.0001846400000000, 0.0000267300000000, 0.0019676100000000 ] - [ -0.0002101200000000, 0.0000355800000000, 0.0001854800000000 ] - [ 0.0002068400000000, -0.0000338800000000, 0.0001850500000000 ] - [ -0.0001772300000000, -0.0000873100000000, 0.0000722800000000 ] - [ 0.0001989400000000, 0.0001039600000000, 0.0002067500000000 ] - [ -0.0002096300000000, 0.0000954900000000, 0.0002045000000000 ] - [ 0.0002514800000000, -0.0001069100000000, 0.0002011900000000 ] - [ -0.0002047800000000, -0.0002689300000000, 0.0000307000000000 ] - [ 0.0001960700000000, 0.0002679400000000, 0.0000288300000000 ] - [ -0.0002055700000000, 0.0002800000000000, -0.0001213200000000 ] - [ 0.0001963500000000, -0.0002799700000000, 0.0004808000000000 ] - [ -0.0000704600000000, -0.0005423800000000, -0.0040441600000000 ] - [ 0.0000875200000000, 0.0000352700000000, -0.0000422000000000 ] - [ -0.0000878300000000, -0.0000384900000000, -0.0000887800000000 ] - [ 0.0000774100000000, 0.0000315900000000, -0.0000900300000000 ] - [ 0.0001245500000000, -0.0000809300000000, 0.0001236800000000 ] - [ 0.0000299300000000, 0.0000339800000000, -0.0000603000000000 ] - [ -0.0000780500000000, 0.0000497800000000, -0.0000683000000000 ] - [ 0.0000940000000000, 0.0000357900000000, -0.0000068900000000 ] - [ -0.0000127300000000, 0.0002381600000000, -0.0000451100000000 ] - [ 0.0000049000000000, -0.0002300300000000, -0.0000431500000000 ] - [ -0.0004007400000000, -0.0004975100000000, -0.0041998200000000 ] - [ -0.0006392800000000, -0.0011013800000000, 0.0156768200000000 ] - [ -0.0028571900000000, 0.0013141300000000, 0.0056357500000000 ] - [ -0.0001425600000000, -0.0000216100000000, -0.0000278800000000 ] - [ 0.0000671500000000, -0.0000230700000000, -0.0000548700000000 ] - [ -0.0000478700000000, -0.0000107200000000, -0.0000587100000000 ] - [ -0.0005821600000000, 0.0001120900000000, 0.0001397700000000 ] - [ 0.0005402800000000, -0.0000878000000000, 0.0001493200000000 ] - [ -0.0004226500000000, -0.0001836900000000, 0.0009784400000000 ] - [ 0.0013940600000000, 0.0008267400000000, -0.0022580500000000 ] - [ -0.0002911400000000, -0.0000543800000000, -0.0001663700000000 ] - [ 0.0002708100000000, 0.0000525700000000, -0.0001671500000000 ] - [ -0.0002789900000000, 0.0001815100000000, 0.0075835600000000 ] - [ 0.0004413700000000, -0.0000065100000000, -0.0024342400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002572700000000, 0.0002249200000000, 0.0000334500000000 ] - [ -0.0002724900000000, -0.0002350200000000, 0.0000354600000000 ] - [ 0.0003073100000000, -0.0002229600000000, 0.0002107100000000 ] - [ -0.0003118700000000, 0.0005277400000000, -0.0009364300000000 ] - [ 0.0004170100000000, 0.0003098700000000, -0.0000438600000000 ] - [ -0.0004295000000000, -0.0003107300000000, -0.0000453800000000 ] - [ 0.0003864800000000, -0.0006182300000000, -0.0005665900000000 ] - [ -0.0003372500000000, 0.0003232600000000, 0.0000879800000000 ] - [ -0.0000949600000000, 0.0004418800000000, -0.0017321200000000 ] - [ -0.0001369000000000, 0.0001146400000000, 0.0000347100000000 ] - [ 0.0000863900000000, 0.0000507100000000, 0.0000943400000000 ] - [ -0.0000941000000000, -0.0000538300000000, 0.0000952000000000 ] - [ 0.0005475600000000, -0.0020235500000000, 0.0003714300000000 ] - [ -0.0000172700000000, 0.0001081200000000, -0.0000076200000000 ] - [ -0.0000206100000000, 0.0000797900000000, 0.0000213300000000 ] - [ 0.0000158700000000, -0.0000871000000000, 0.0000207600000000 ] - [ 0.0002683600000000, 0.0000581500000000, 0.0001385900000000 ] - [ -0.0003051300000000, 0.0000513800000000, 0.0000013300000000 ] - [ 0.0002884200000000, 0.0000425300000000, -0.0000109200000000 ] - [ -0.0004503300000000, -0.0001867200000000, 0.0000147100000000 ] - [ -0.0003640600000000, -0.0002209100000000, 0.0000546600000000 ] - [ 0.0003779100000000, 0.0002976600000000, -0.0019054600000000 ] - [ 0.0000614600000000, -0.0002867300000000, -0.0003004600000000 ] - [ -0.0000569400000000, 0.0003196200000000, -0.0002976100000000 ] - [ -0.0002956800000000, 0.0001858200000000, -0.0002217600000000 ] - [ 0.0001146000000000, -0.0000725000000000, -0.0002344600000000 ] - [ -0.0001322100000000, -0.0000519100000000, -0.0002104400000000 ] - [ 0.0001511700000000, 0.0001637700000000, -0.0003024000000000 ] - [ 0.0002365000000000, 0.0000625500000000, 0.0001102600000000 ] - [ -0.0001773000000000, -0.0001649800000000, 0.0000886300000000 ] - [ 0.0001791500000000, -0.0002073400000000, 0.0001363200000000 ] - [ -0.0000847100000000, 0.0001085400000000, 0.0000400800000000 ] - [ 0.0002203800000000, 0.0001308100000000, 0.0106956500000000 ] - [ 0.0000750200000000, 0.0002735300000000, -0.0025515500000000 ] - [ -0.0001061300000000, 0.0002097400000000, -0.0001562900000000 ] - [ 0.0001004000000000, -0.0002050300000000, -0.0001560800000000 ] - [ -0.0003483600000000, -0.0005677100000000, -0.0004980500000000 ] - [ -0.0020221500000000, -0.0007399700000000, 0.0006776900000000 ] - [ -0.0001423100000000, -0.0001700400000000, 0.0003898600000000 ] - [ 0.0001327100000000, 0.0001719500000000, 0.0003887600000000 ] - [ 0.0006904700000000, 0.0029617000000000, 0.0013304800000000 ] - [ 0.0022655300000000, 0.0002547100000000, -0.0003010000000000 ] - [ 0.0000595700000000, -0.0004568900000000, -0.0000810800000000 ] - [ -0.0000743900000000, 0.0004562500000000, -0.0000818600000000 ] - [ 0.0006331400000000, -0.0002653400000000, 0.0014318600000000 ] - [ -0.0002620600000000, 0.0000761800000000, -0.0002848100000000 ] - [ 0.0003680000000000, 0.0002314200000000, 0.0000535800000000 ] - [ -0.0001193900000000, -0.0002666400000000, -0.0002753000000000 ] - [ -0.0046668800000000, -0.0008876100000000, 0.0137225400000000 ] - [ 0.0002057900000000, 0.0000554200000000, -0.0015978300000000 ] - [ -0.0002089400000000, 0.0000334700000000, 0.0001849300000000 ] - [ 0.0002118200000000, -0.0000334200000000, 0.0001846100000000 ] - [ -0.0002357000000000, -0.0001051300000000, 0.0003366500000000 ] - [ 0.0002120900000000, 0.0000911800000000, 0.0002040700000000 ] - [ -0.0002016900000000, 0.0000993100000000, 0.0002054100000000 ] - [ 0.0001621900000000, -0.0000885600000000, 0.0002103300000000 ] - [ -0.0001830300000000, -0.0002673700000000, 0.0000284400000000 ] - [ 0.0001993200000000, 0.0002680600000000, 0.0000286400000000 ] - [ -0.0001850800000000, 0.0002553500000000, 0.0001795200000000 ] - [ 0.0001937300000000, -0.0002571000000000, -0.0004200800000000 ] - [ -0.0001167100000000, 0.0006557200000000, 0.0038431600000000 ] - [ 0.0000864700000000, -0.0001154400000000, -0.0001328400000000 ] - [ -0.0000886100000000, -0.0000388400000000, -0.0000882000000000 ] - [ 0.0001003100000000, 0.0000463500000000, -0.0000861200000000 ] - [ -0.0002949200000000, 0.0000084700000000, -0.0002520800000000 ] - [ 0.0001211800000000, 0.0000425700000000, -0.0000597600000000 ] - [ -0.0000733600000000, 0.0000269300000000, -0.0000511000000000 ] - [ 0.0000603700000000, -0.0001131200000000, -0.0001133200000000 ] - [ 0.0000099200000000, 0.0002252400000000, -0.0000439200000000 ] - [ -0.0000015200000000, -0.0002319500000000, -0.0000457000000000 ] - [ 0.0004551700000000, 0.0000555100000000, 0.0040999300000000 ] - [ 0.0007263200000000, 0.0017742400000000, -0.0157707200000000 ] - [ 0.0030578500000000, -0.0013266700000000, -0.0057337400000000 ] - [ 0.0000304500000000, -0.0000206300000000, -0.0000875200000000 ] - [ 0.0000515800000000, -0.0000161900000000, -0.0000584400000000 ] - [ -0.0000684100000000, 0.0000477500000000, -0.0000541800000000 ] - [ -0.0004970300000000, 0.0000739900000000, 0.0001555900000000 ] - [ 0.0005412800000000, -0.0000960900000000, 0.0001458200000000 ] - [ -0.0006606400000000, -0.0000003600000000, -0.0006808100000000 ] - [ -0.0003369500000000, -0.0006768600000000, 0.0025349400000000 ] - [ -0.0002682500000000, -0.0000600800000000, -0.0001665200000000 ] - [ 0.0002899700000000, 0.0000620100000000, -0.0001648300000000 ] - [ -0.0003320300000000, -0.0001744600000000, -0.0079109100000000 ] - [ 0.0001193900000000, -0.0001347800000000, 0.0020977100000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000768200000000, -0.0002589200000000, 0.0000541100000000 ] - [ -0.0013494600000000, -0.0005076200000000, 0.0000576800000000 ] - [ -0.0010588500000000, -0.0000782100000000, 0.0000429000000000 ] - [ -0.0032356200000000, -0.0044519500000000, -0.0004775700000000 ] - [ -0.0005259600000000, 0.0002265900000000, 0.0001018700000000 ] - [ -0.0010790100000000, -0.0003708900000000, -0.0001473700000000 ] - [ -0.0017603800000000, -0.0006908600000000, 0.0001007500000000 ] - [ -0.0017437600000000, -0.0002986800000000, -0.0002435100000000 ] - [ -0.0020378900000000, 0.0021543000000000, -0.0023350200000000 ] - [ -0.0011223000000000, -0.0003546600000000, 0.0000399100000000 ] - [ -0.0010514500000000, 0.0001765200000000, 0.0000738400000000 ] - [ -0.0006664400000000, 0.0003881300000000, -0.0000795900000000 ] - [ -0.0029119300000000, 0.0026445700000000, 0.0038797500000000 ] - [ -0.0011905000000000, -0.0002543800000000, 0.0002392500000000 ] - [ -0.0011743500000000, 0.0002441300000000, -0.0001479100000000 ] - [ -0.0003055100000000, 0.0004279400000000, 0.0002092900000000 ] - [ 0.0074739500000000, -0.0011248400000000, -0.0001637800000000 ] - [ -0.0014735200000000, 0.0002922100000000, -0.0000549600000000 ] - [ -0.0008624200000000, -0.0002076100000000, 0.0000571100000000 ] - [ 0.0021348100000000, 0.0001314100000000, 0.0001163600000000 ] - [ 0.0107989100000000, -0.0000381800000000, -0.0012685400000000 ] - [ 0.0033552000000000, 0.0011186900000000, 0.0001314400000000 ] - [ -0.0010824000000000, -0.0003747500000000, -0.0004340400000000 ] - [ 0.0016522400000000, 0.0020576000000000, -0.0013812200000000 ] - [ 0.0053499200000000, -0.0011606600000000, -0.0006319700000000 ] - [ -0.0009536300000000, 0.0000980000000000, -0.0002403000000000 ] - [ -0.0012552700000000, -0.0002622600000000, -0.0002651000000000 ] - [ 0.0040130500000000, 0.0016698800000000, 0.0000906300000000 ] - [ 0.0033304400000000, -0.0023154400000000, 0.0005876900000000 ] - [ -0.0013022900000000, 0.0000714000000000, -0.0001100300000000 ] - [ -0.0010319800000000, -0.0003919600000000, 0.0003125700000000 ] - [ 0.0055260500000000, 0.0007705400000000, 0.0009513300000000 ] - [ 0.0006931000000000, 0.0009488700000000, -0.0000876600000000 ] - [ -0.0006723400000000, -0.0000893400000000, -0.0001246500000000 ] - [ -0.0013884100000000, 0.0005335100000000, -0.0002160300000000 ] - [ -0.0024216100000000, 0.0014818000000000, -0.0002990600000000 ] - [ 0.0008673400000000, -0.0005695900000000, 0.0002175800000000 ] - [ -0.0009964700000000, 0.0003548200000000, 0.0002794300000000 ] - [ -0.0012568300000000, -0.0002370700000000, 0.0004340900000000 ] - [ -0.0019645900000000, -0.0007235700000000, -0.0008801000000000 ] - [ 0.0010808900000000, -0.0003933200000000, 0.0001897000000000 ] - [ -0.0013901900000000, 0.0001575800000000, 0.0001896100000000 ] - [ -0.0010959200000000, -0.0005594300000000, -0.0001866100000000 ] - [ -0.0023862400000000, -0.0009014500000000, 0.0010836400000000 ] - [ 0.0023860000000000, -0.0000140400000000, -0.0000806400000000 ] - [ -0.0014494200000000, 0.0004126300000000, -0.0000249800000000 ] - [ -0.0007536700000000, 0.0001568200000000, 0.0001571500000000 ] - [ -0.0011290500000000, -0.0001879000000000, -0.0001716900000000 ] - [ -0.0002347900000000, -0.0007909700000000, 0.0002136900000000 ] - [ 0.0005312500000000, 0.0000213000000000, 0.0001897400000000 ] - [ 0.0006153400000000, 0.0000197800000000, 0.0001810300000000 ] - [ 0.0009319500000000, -0.0003283700000000, 0.0001390900000000 ] - [ -0.0312787500000000, 0.0052692100000000, -0.0003175200000000 ] - [ 0.0009165700000000, 0.0000998500000000, 0.0002299000000000 ] - [ 0.0004808900000000, 0.0001127800000000, 0.0001814000000000 ] - [ -0.0006812400000000, -0.0000287400000000, 0.0001463900000000 ] - [ -0.0001911000000000, 0.0002861200000000, 0.0000596200000000 ] - [ 0.0008381700000000, 0.0002884500000000, 0.0000132300000000 ] - [ 0.0006232500000000, 0.0002603700000000, 0.0000606300000000 ] - [ -0.0000865500000000, 0.0011080300000000, -0.0000613700000000 ] - [ 0.0157002900000000, -0.0006035000000000, 0.0005941300000000 ] - [ 0.0016600600000000, 0.0003242200000000, -0.0000474900000000 ] - [ 0.0012629900000000, 0.0000377800000000, -0.0000900700000000 ] - [ 0.0006531300000000, -0.0001082700000000, 0.0000084000000000 ] - [ -0.0057411400000000, 0.0028231100000000, -0.0004164300000000 ] - [ 0.0015110500000000, 0.0000045700000000, -0.0000224700000000 ] - [ 0.0014137400000000, 0.0000821100000000, -0.0000970400000000 ] - [ -0.0064748600000000, -0.0022729100000000, -0.0001854600000000 ] - [ 0.0066772200000000, 0.0007193600000000, 0.0002806100000000 ] - [ 0.0014741200000000, -0.0003518700000000, -0.0001160700000000 ] - [ 0.0012964000000000, -0.0006734700000000, -0.0000225700000000 ] - [ -0.0022230700000000, 0.0001135200000000, 0.0001043100000000 ] - [ -0.0081803200000000, -0.0053056500000000, 0.0001650300000000 ] - [ 0.0022523100000000, 0.0000827400000000, -0.0001394900000000 ] - [ 0.0024990700000000, -0.0000023300000000, 0.0000081000000000 ] - [ 0.0016330200000000, -0.0099101800000000, 0.0005230500000000 ] - [ -0.0000098200000000, 0.0042946400000000, -0.0000020400000000 ] - [ 0.0029331600000000, -0.0001345100000000, 0.0001796000000000 ] - [ 0.0019697900000000, -0.0001942700000000, 0.0001154500000000 ] - [ -0.0055597600000000, 0.0037920800000000, -0.0002310000000000 ] - [ 0.0021457900000000, 0.0007584400000000, -0.0002943900000000 ] - [ 0.0022459500000000, -0.0005189900000000, -0.0001352600000000 ] - [ 0.0032362700000000, -0.0012834400000000, -0.0004835300000000 ] - [ 0.0025005700000000, 0.0023086600000000, -0.0002765900000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004565100000000, 0.0007181600000000, 0.0000152500000000 ] - [ 0.0008177700000000, 0.0000450600000000, 0.0000122800000000 ] - [ 0.0015913200000000, -0.0003803200000000, 0.0000256300000000 ] - [ 0.0026325900000000, 0.0049244000000000, 0.0005490300000000 ] - [ 0.0013704000000000, 0.0003936900000000, -0.0001921300000000 ] - [ 0.0002316400000000, -0.0002487500000000, 0.0000584100000000 ] - [ 0.0026210500000000, 0.0000740000000000, -0.0001915500000000 ] - [ 0.0009020200000000, 0.0009228000000000, 0.0001540300000000 ] - [ 0.0022374500000000, -0.0022614200000000, 0.0025322900000000 ] - [ 0.0009416600000000, 0.0004530000000000, 0.0001439600000000 ] - [ 0.0012335800000000, -0.0000762000000000, 0.0001133200000000 ] - [ 0.0004859200000000, -0.0004875600000000, 0.0002664200000000 ] - [ 0.0028345900000000, -0.0028196000000000, -0.0038566700000000 ] - [ 0.0012235400000000, 0.0004160200000000, -0.0001951100000000 ] - [ 0.0011443800000000, -0.0000849700000000, 0.0001932500000000 ] - [ 0.0003427400000000, -0.0005890700000000, -0.0001678000000000 ] - [ -0.0068659600000000, 0.0010284100000000, 0.0002024200000000 ] - [ 0.0008759500000000, -0.0001927700000000, 0.0000608400000000 ] - [ 0.0014670400000000, 0.0003141200000000, -0.0000533900000000 ] - [ -0.0027381300000000, -0.0002338400000000, -0.0001153100000000 ] - [ -0.0106437600000000, -0.0004656600000000, 0.0011914600000000 ] - [ -0.0032654900000000, -0.0005301600000000, -0.0007379000000000 ] - [ 0.0012059700000000, -0.0002110900000000, -0.0001675600000000 ] - [ -0.0017595700000000, -0.0014606800000000, 0.0007634000000000 ] - [ -0.0056005800000000, 0.0013390000000000, 0.0001445800000000 ] - [ 0.0012197200000000, -0.0002609300000000, -0.0002606200000000 ] - [ 0.0009893300000000, 0.0000997600000000, -0.0002374800000000 ] - [ -0.0037304000000000, -0.0015246300000000, -0.0005934800000000 ] - [ -0.0029894000000000, 0.0026456300000000, -0.0004028800000000 ] - [ 0.0009781200000000, -0.0003982300000000, 0.0002989700000000 ] - [ 0.0013567200000000, 0.0000666700000000, -0.0001233600000000 ] - [ -0.0058565100000000, -0.0004413600000000, -0.0007851100000000 ] - [ -0.0009118100000000, -0.0013790000000000, -0.0002263600000000 ] - [ 0.0008761500000000, 0.0005075900000000, -0.0001878300000000 ] - [ 0.0011852500000000, -0.0001178200000000, -0.0000966300000000 ] - [ 0.0026326900000000, -0.0019040100000000, -0.0000104300000000 ] - [ -0.0011510300000000, 0.0009136500000000, 0.0005596700000000 ] - [ 0.0012735800000000, -0.0006984500000000, 0.0005030300000000 ] - [ 0.0009826700000000, -0.0001028400000000, 0.0003444500000000 ] - [ 0.0022302800000000, 0.0010601700000000, 0.0016519200000000 ] - [ -0.0009613100000000, 0.0013131500000000, -0.0003546700000000 ] - [ 0.0012653300000000, -0.0010794200000000, -0.0003593700000000 ] - [ 0.0012259100000000, -0.0003545900000000, 0.0000227800000000 ] - [ 0.0022576000000000, 0.0018172300000000, -0.0012422000000000 ] - [ -0.0016577400000000, -0.0004442900000000, 0.0001878900000000 ] - [ 0.0007169000000000, 0.0000446100000000, 0.0001328100000000 ] - [ 0.0014991400000000, 0.0003023900000000, -0.0000520500000000 ] - [ 0.0010088100000000, -0.0003982400000000, -0.0004305700000000 ] - [ -0.0001873300000000, 0.0007297200000000, 0.0001552200000000 ] - [ -0.0001075500000000, 0.0000444800000000, 0.0001790800000000 ] - [ -0.0010420600000000, 0.0000470100000000, 0.0001882900000000 ] - [ -0.0005100000000000, 0.0002624000000000, 0.0002297700000000 ] - [ 0.0303222700000000, -0.0053531000000000, 0.0009229300000000 ] - [ -0.0005070800000000, 0.0000978500000000, 0.0001807600000000 ] - [ -0.0008950500000000, 0.0000846900000000, 0.0002290600000000 ] - [ 0.0010918300000000, -0.0001663300000000, 0.0002632000000000 ] - [ -0.0001952200000000, -0.0008208800000000, -0.0000023800000000 ] - [ -0.0004538800000000, 0.0002499700000000, 0.0000442200000000 ] - [ -0.0010105000000000, 0.0002763700000000, -0.0000028400000000 ] - [ 0.0004777500000000, -0.0016549100000000, 0.0001199000000000 ] - [ -0.0161651800000000, 0.0006781200000000, -0.0007640900000000 ] - [ -0.0014748000000000, -0.0004070400000000, -0.0001283200000000 ] - [ -0.0014565400000000, -0.0001177800000000, -0.0000872300000000 ] - [ -0.0004692100000000, 0.0001879900000000, -0.0001842200000000 ] - [ 0.0055764600000000, -0.0029357400000000, 0.0003023200000000 ] - [ -0.0013522800000000, 0.0000692000000000, -0.0001008100000000 ] - [ -0.0015791300000000, -0.0000072100000000, -0.0000258500000000 ] - [ 0.0065646200000000, 0.0022235100000000, 0.0000579900000000 ] - [ -0.0066322700000000, -0.0002692000000000, -0.0003970500000000 ] - [ -0.0014924100000000, -0.0001090200000000, 0.0000255500000000 ] - [ -0.0012863900000000, 0.0002164200000000, -0.0000679800000000 ] - [ 0.0022224700000000, 0.0003510600000000, -0.0001948800000000 ] - [ 0.0083437800000000, 0.0053321900000000, -0.0002774800000000 ] - [ -0.0023508500000000, -0.0001171300000000, 0.0000257200000000 ] - [ -0.0024089800000000, -0.0000342000000000, -0.0001223000000000 ] - [ -0.0017291200000000, 0.0098769600000000, -0.0006380700000000 ] - [ -0.0010650000000000, -0.0040826600000000, 0.0003033600000000 ] - [ -0.0018808300000000, -0.0000486000000000, 0.0001117600000000 ] - [ -0.0030320000000000, 0.0000089700000000, 0.0001759500000000 ] - [ 0.0066581500000000, -0.0036008500000000, 0.0005270000000000 ] - [ -0.0027116700000000, -0.0008773900000000, -0.0000356500000000 ] - [ -0.0016895900000000, 0.0006404900000000, -0.0001955200000000 ] - [ -0.0038127600000000, 0.0014110800000000, 0.0001507400000000 ] - [ -0.0019422900000000, -0.0024400300000000, -0.0000557900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008054700000000, -0.0005906600000000, -0.0000463700000000 ] - [ -0.0002437900000000, -0.0003051300000000, 0.0000451600000000 ] - [ 0.0003168800000000, 0.0000019900000000, 0.0000163600000000 ] - [ -0.0044428800000000, 0.0018113600000000, 0.0000224700000000 ] - [ 0.0003415600000000, 0.0001545000000000, -0.0000017200000000 ] - [ -0.0003812400000000, -0.0007059100000000, -0.0001170300000000 ] - [ 0.0003283800000000, 0.0010984500000000, 0.0004389800000000 ] - [ -0.0006627900000000, 0.0007677800000000, -0.0002653400000000 ] - [ 0.0021176300000000, 0.0016180500000000, 0.0001792000000000 ] - [ -0.0002364500000000, 0.0001048400000000, 0.0001800300000000 ] - [ 0.0000556800000000, 0.0000271800000000, 0.0000756800000000 ] - [ 0.0005106900000000, -0.0009007000000000, 0.0005180000000000 ] - [ 0.0024664100000000, 0.0026097400000000, -0.0002000600000000 ] - [ -0.0001201700000000, 0.0001369400000000, -0.0000450900000000 ] - [ -0.0000429900000000, 0.0000639800000000, 0.0000380800000000 ] - [ 0.0006294700000000, -0.0011504900000000, -0.0004562600000000 ] - [ -0.0002341800000000, 0.0075169800000000, 0.0002260500000000 ] - [ -0.0002992300000000, 0.0000787300000000, 0.0000025500000000 ] - [ 0.0003271800000000, 0.0000329500000000, 0.0000025800000000 ] - [ -0.0007621900000000, -0.0049189800000000, -0.0001733300000000 ] - [ -0.0006653100000000, 0.0032255300000000, -0.0000887500000000 ] - [ 0.0014790100000000, -0.0046783200000000, -0.0000913100000000 ] - [ 0.0000869300000000, -0.0002630500000000, -0.0003025900000000 ] - [ 0.0021476800000000, 0.0028303000000000, 0.0005128000000000 ] - [ -0.0008624300000000, 0.0009238000000000, -0.0017615600000000 ] - [ 0.0001436300000000, -0.0001058400000000, -0.0002647500000000 ] - [ -0.0001000100000000, -0.0000539200000000, -0.0002376300000000 ] - [ 0.0016695800000000, -0.0030785900000000, -0.0019971800000000 ] - [ -0.0017927800000000, -0.0028397200000000, 0.0023499300000000 ] - [ -0.0001399800000000, -0.0001862300000000, 0.0001094500000000 ] - [ 0.0001984200000000, -0.0001304800000000, 0.0000774300000000 ] - [ -0.0003879000000000, 0.0042650600000000, -0.0016321000000000 ] - [ 0.0003381600000000, -0.0012139600000000, -0.0001112400000000 ] - [ -0.0000009300000000, -0.0001575500000000, -0.0001583200000000 ] - [ -0.0001254900000000, 0.0003199700000000, -0.0001585400000000 ] - [ 0.0003811600000000, 0.0003866400000000, -0.0002259000000000 ] - [ -0.0004241400000000, -0.0008234200000000, -0.0000659500000000 ] - [ 0.0003418000000000, -0.0003005700000000, 0.0004973000000000 ] - [ -0.0000513200000000, -0.0001350800000000, 0.0003576300000000 ] - [ -0.0001189800000000, 0.0007489500000000, 0.0007514500000000 ] - [ -0.0003580300000000, -0.0004929500000000, 0.0003972600000000 ] - [ 0.0001959400000000, -0.0006109400000000, -0.0002199100000000 ] - [ 0.0001621900000000, -0.0004192700000000, -0.0000484400000000 ] - [ -0.0002797200000000, 0.0010124900000000, -0.0005087900000000 ] - [ 0.0007660100000000, -0.0027420900000000, 0.0003140100000000 ] - [ -0.0002994900000000, 0.0001233100000000, 0.0000514300000000 ] - [ 0.0004053200000000, 0.0002709600000000, 0.0000528600000000 ] - [ -0.0000379600000000, -0.0003537800000000, -0.0002955700000000 ] - [ -0.0007733400000000, 0.0004343800000000, 0.0001923400000000 ] - [ 0.0002116100000000, 0.0001723300000000, 0.0001773400000000 ] - [ -0.0002177100000000, -0.0000306500000000, 0.0001852100000000 ] - [ -0.0000990500000000, -0.0001932900000000, 0.0001742600000000 ] - [ 0.0050427300000000, -0.0264476500000000, 0.0045944200000000 ] - [ 0.0002072700000000, 0.0000827500000000, 0.0002077100000000 ] - [ -0.0002185700000000, 0.0001082700000000, 0.0002055800000000 ] - [ 0.0001387800000000, 0.0019882600000000, 0.0002484300000000 ] - [ 0.0005999900000000, 0.0001825000000000, 0.0000333000000000 ] - [ 0.0001777400000000, 0.0002923200000000, 0.0000298900000000 ] - [ -0.0002065500000000, 0.0002024600000000, 0.0000294700000000 ] - [ 0.0015621800000000, -0.0008371400000000, -0.0000405800000000 ] - [ -0.0004864800000000, -0.0074155800000000, -0.0010306400000000 ] - [ 0.0002031800000000, -0.0002400400000000, -0.0000585900000000 ] - [ -0.0000628400000000, 0.0000264800000000, -0.0001033100000000 ] - [ 0.0002390900000000, 0.0016042800000000, 0.0000653700000000 ] - [ 0.0013263200000000, 0.0144549600000000, -0.0005090100000000 ] - [ 0.0000529800000000, 0.0000797700000000, -0.0000647500000000 ] - [ -0.0001089500000000, -0.0000119700000000, -0.0000559800000000 ] - [ -0.0033551900000000, -0.0046627400000000, -0.0017308300000000 ] - [ -0.0001735300000000, -0.0007060300000000, -0.0001161200000000 ] - [ -0.0000634200000000, -0.0003413800000000, -0.0000411900000000 ] - [ -0.0000842900000000, 0.0000803200000000, -0.0000461800000000 ] - [ -0.0004378000000000, 0.0020078100000000, -0.0001088400000000 ] - [ -0.0051498600000000, 0.0025047600000000, -0.0002520300000000 ] - [ 0.0000332000000000, 0.0000866400000000, -0.0000626700000000 ] - [ 0.0000295900000000, -0.0000560900000000, -0.0000560600000000 ] - [ -0.0092411300000000, 0.0064059900000000, -0.0003857800000000 ] - [ 0.0047493100000000, -0.0046325500000000, 0.0007158600000000 ] - [ 0.0004485800000000, -0.0000857600000000, 0.0001447700000000 ] - [ -0.0007128700000000, -0.0001089700000000, 0.0001409100000000 ] - [ 0.0046980000000000, 0.0117151000000000, 0.0004774100000000 ] - [ 0.0001547900000000, -0.0000553200000000, -0.0001740600000000 ] - [ -0.0001530600000000, 0.0002602700000000, -0.0001238200000000 ] - [ -0.0015824700000000, -0.0002394700000000, -0.0002637200000000 ] - [ 0.0017179400000000, 0.0004021100000000, -0.0001410500000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013396900000000, 0.0010691100000000, 0.0001205400000000 ] - [ -0.0002957200000000, -0.0001701400000000, 0.0000278000000000 ] - [ 0.0002214800000000, -0.0004769400000000, 0.0000560900000000 ] - [ 0.0038858600000000, -0.0013818900000000, 0.0000517400000000 ] - [ 0.0004920800000000, 0.0004710200000000, -0.0000846900000000 ] - [ -0.0004593300000000, 0.0000837900000000, 0.0000310800000000 ] - [ 0.0005109200000000, -0.0017262800000000, -0.0005266200000000 ] - [ -0.0001717100000000, -0.0001457400000000, 0.0001799900000000 ] - [ -0.0019425600000000, -0.0017076700000000, 0.0000060200000000 ] - [ 0.0000582400000000, 0.0000011500000000, 0.0000130700000000 ] - [ 0.0001244200000000, 0.0000816100000000, 0.0001190900000000 ] - [ -0.0006937300000000, 0.0007933500000000, -0.0003256200000000 ] - [ -0.0025174900000000, -0.0027518800000000, 0.0002528600000000 ] - [ 0.0001532000000000, 0.0000275700000000, 0.0000899600000000 ] - [ 0.0000112100000000, 0.0001007400000000, 0.0000063900000000 ] - [ -0.0006005400000000, 0.0009849900000000, 0.0005019500000000 ] - [ 0.0008410400000000, -0.0076276100000000, -0.0002112600000000 ] - [ -0.0003017800000000, 0.0000231500000000, 0.0000015200000000 ] - [ 0.0002759500000000, 0.0000703900000000, 0.0000009000000000 ] - [ 0.0001524400000000, 0.0048120500000000, 0.0001667900000000 ] - [ -0.0001318500000000, -0.0036792100000000, 0.0002034500000000 ] - [ -0.0013692600000000, 0.0052374900000000, -0.0005116400000000 ] - [ 0.0000244100000000, -0.0003258200000000, -0.0003041700000000 ] - [ -0.0022592900000000, -0.0022636000000000, -0.0011212700000000 ] - [ 0.0006560200000000, -0.0005031700000000, 0.0013582000000000 ] - [ 0.0001222600000000, -0.0000573200000000, -0.0002377700000000 ] - [ -0.0001657500000000, -0.0001084000000000, -0.0002648600000000 ] - [ -0.0014172900000000, 0.0032327200000000, 0.0015329600000000 ] - [ 0.0020895500000000, 0.0031641300000000, -0.0021230300000000 ] - [ -0.0001814100000000, -0.0001436500000000, 0.0000830300000000 ] - [ 0.0001237200000000, -0.0001986800000000, 0.0001140700000000 ] - [ 0.0000888900000000, -0.0043158000000000, 0.0020791100000000 ] - [ -0.0005379500000000, 0.0008169500000000, -0.0002007500000000 ] - [ 0.0002060100000000, 0.0005605000000000, -0.0001532100000000 ] - [ -0.0000752600000000, 0.0000807100000000, -0.0001528400000000 ] - [ -0.0001700100000000, -0.0007982800000000, -0.0000846100000000 ] - [ 0.0001575900000000, 0.0011476300000000, 0.0008251200000000 ] - [ -0.0000665700000000, -0.0000261800000000, 0.0002636000000000 ] - [ -0.0002230000000000, -0.0001936500000000, 0.0004021400000000 ] - [ 0.0003985200000000, -0.0004177800000000, 0.0000119400000000 ] - [ 0.0004900100000000, 0.0014047400000000, -0.0005609900000000 ] - [ -0.0003200200000000, -0.0003049500000000, 0.0000546700000000 ] - [ -0.0000371700000000, -0.0004957600000000, -0.0001154400000000 ] - [ 0.0001605500000000, -0.0000932600000000, 0.0003432900000000 ] - [ -0.0000016300000000, 0.0022828300000000, -0.0002103600000000 ] - [ -0.0004581000000000, 0.0003361000000000, 0.0000539200000000 ] - [ 0.0003587500000000, 0.0001881100000000, 0.0000509000000000 ] - [ -0.0000709700000000, -0.0002341000000000, -0.0003112600000000 ] - [ 0.0003487100000000, -0.0005047300000000, 0.0001772400000000 ] - [ 0.0002055700000000, -0.0001058200000000, 0.0001916900000000 ] - [ -0.0002031400000000, 0.0000991100000000, 0.0001846100000000 ] - [ 0.0005172900000000, 0.0001279100000000, 0.0001953900000000 ] - [ -0.0055758200000000, 0.0263771500000000, -0.0046455900000000 ] - [ 0.0002033200000000, 0.0001135000000000, 0.0002030400000000 ] - [ -0.0001918200000000, 0.0000873700000000, 0.0002045100000000 ] - [ 0.0002755000000000, -0.0021814900000000, 0.0001572400000000 ] - [ -0.0009817000000000, -0.0007215200000000, 0.0000257500000000 ] - [ 0.0002131900000000, 0.0002464900000000, 0.0000277600000000 ] - [ -0.0001807800000000, 0.0003353600000000, 0.0000289200000000 ] - [ -0.0011715500000000, 0.0003082300000000, 0.0000991200000000 ] - [ 0.0003726400000000, 0.0074931300000000, 0.0008607500000000 ] - [ -0.0000259700000000, 0.0001636900000000, -0.0001179200000000 ] - [ -0.0001139000000000, -0.0001047200000000, -0.0000745600000000 ] - [ -0.0000575700000000, -0.0015275100000000, -0.0002432600000000 ] - [ -0.0014214900000000, -0.0143650900000000, 0.0004256500000000 ] - [ 0.0000987700000000, -0.0000034400000000, -0.0000559600000000 ] - [ -0.0000429400000000, 0.0000889400000000, -0.0000643900000000 ] - [ 0.0035057000000000, 0.0046629800000000, 0.0015886700000000 ] - [ 0.0001481100000000, 0.0011654600000000, 0.0000246300000000 ] - [ 0.0000653500000000, -0.0001195400000000, -0.0000478400000000 ] - [ 0.0000797100000000, -0.0005436100000000, -0.0000432200000000 ] - [ 0.0004322900000000, -0.0015457900000000, 0.0000193800000000 ] - [ 0.0052371600000000, -0.0025060400000000, 0.0001276500000000 ] - [ -0.0001490900000000, -0.0001233400000000, -0.0000510200000000 ] - [ 0.0000869000000000, 0.0000174400000000, -0.0000575500000000 ] - [ 0.0092121900000000, -0.0063860500000000, 0.0002818900000000 ] - [ -0.0058345000000000, 0.0047692700000000, -0.0004250500000000 ] - [ 0.0006322000000000, -0.0000978200000000, 0.0001496000000000 ] - [ -0.0003671100000000, -0.0000773800000000, 0.0001533800000000 ] - [ -0.0036594800000000, -0.0115992300000000, -0.0001709200000000 ] - [ -0.0007159200000000, -0.0000649000000000, -0.0001589300000000 ] - [ 0.0007167000000000, -0.0001416900000000, -0.0002087300000000 ] - [ 0.0010268100000000, 0.0003510900000000, -0.0000701400000000 ] - [ -0.0011597600000000, -0.0005105200000000, -0.0001935800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002175300000000, 0.0002809300000000, -0.0001221700000000 ] - [ -0.0002358800000000, -0.0002308800000000, 0.0000358000000000 ] - [ 0.0003451600000000, -0.0002066400000000, 0.0000484300000000 ] - [ -0.0011142300000000, -0.0000631100000000, 0.0021579600000000 ] - [ 0.0004364100000000, 0.0003227800000000, -0.0000474800000000 ] - [ -0.0004264100000000, -0.0003065400000000, -0.0000436700000000 ] - [ 0.0006780300000000, 0.0000928200000000, 0.0004549400000000 ] - [ -0.0003784700000000, 0.0003711300000000, -0.0001036000000000 ] - [ -0.0016274100000000, 0.0004897200000000, 0.0001045700000000 ] - [ -0.0000715900000000, 0.0000827200000000, 0.0001158700000000 ] - [ 0.0001315600000000, 0.0000550600000000, 0.0001042100000000 ] - [ -0.0001163500000000, -0.0000533300000000, 0.0001606300000000 ] - [ 0.0029066100000000, -0.0008605700000000, 0.0001316900000000 ] - [ 0.0000355700000000, 0.0001218000000000, -0.0000055500000000 ] - [ 0.0000258700000000, 0.0000793900000000, 0.0000273700000000 ] - [ 0.0000539400000000, 0.0000126600000000, 0.0000904800000000 ] - [ 0.0003628700000000, 0.0001272600000000, -0.0037636700000000 ] - [ -0.0002606800000000, 0.0000441600000000, 0.0000045800000000 ] - [ 0.0003411400000000, 0.0000560400000000, 0.0000000800000000 ] - [ -0.0004866400000000, -0.0004641500000000, 0.0009429400000000 ] - [ -0.0025401400000000, -0.0003310600000000, 0.0019809200000000 ] - [ 0.0000104800000000, 0.0005675200000000, 0.0003931800000000 ] - [ 0.0000895900000000, -0.0002927500000000, -0.0003018500000000 ] - [ -0.0005964100000000, 0.0003592600000000, -0.0020898600000000 ] - [ -0.0002668500000000, -0.0003537900000000, 0.0013283900000000 ] - [ 0.0001683500000000, -0.0000876400000000, -0.0002517200000000 ] - [ -0.0000918600000000, -0.0000749100000000, -0.0002504800000000 ] - [ 0.0008361800000000, -0.0024959100000000, -0.0014745600000000 ] - [ 0.0007739700000000, 0.0021880100000000, 0.0001951300000000 ] - [ -0.0001224200000000, -0.0001738300000000, 0.0001030200000000 ] - [ 0.0002047200000000, -0.0001563700000000, 0.0000862000000000 ] - [ -0.0000828800000000, -0.0013913400000000, 0.0022162800000000 ] - [ -0.0001227800000000, -0.0003291200000000, -0.0003535600000000 ] - [ 0.0001165100000000, 0.0001547400000000, -0.0001537400000000 ] - [ -0.0000545000000000, 0.0001765700000000, -0.0001541000000000 ] - [ 0.0004634400000000, -0.0005196600000000, -0.0002145300000000 ] - [ -0.0000600500000000, 0.0000679100000000, 0.0003789700000000 ] - [ 0.0001844800000000, -0.0001692000000000, 0.0003828800000000 ] - [ -0.0000960200000000, -0.0001642800000000, 0.0003654400000000 ] - [ 0.0004096200000000, 0.0003043600000000, 0.0006326300000000 ] - [ 0.0001009200000000, 0.0004391900000000, 0.0000356300000000 ] - [ -0.0000312200000000, -0.0005361200000000, -0.0001847600000000 ] - [ 0.0000954800000000, -0.0004590600000000, -0.0000748400000000 ] - [ 0.0000668500000000, 0.0005113200000000, -0.0003198200000000 ] - [ 0.0004532700000000, -0.0000898900000000, -0.0001414400000000 ] - [ -0.0003511900000000, 0.0002158000000000, 0.0000540900000000 ] - [ 0.0004305800000000, 0.0002320000000000, 0.0000467500000000 ] - [ -0.0000112700000000, -0.0003024600000000, -0.0003098600000000 ] - [ -0.0002223100000000, -0.0000297200000000, 0.0000531100000000 ] - [ 0.0001859100000000, 0.0000406400000000, 0.0001855900000000 ] - [ -0.0002425400000000, 0.0000325500000000, 0.0001844900000000 ] - [ 0.0003069600000000, -0.0000033400000000, 0.0001805200000000 ] - [ -0.0008654200000000, 0.0045717900000000, -0.0221205300000000 ] - [ 0.0001798000000000, 0.0000947200000000, 0.0002052500000000 ] - [ -0.0002303200000000, 0.0000957500000000, 0.0002052500000000 ] - [ 0.0002636000000000, -0.0000515200000000, 0.0006298900000000 ] - [ -0.0001507100000000, -0.0002979900000000, -0.0001183200000000 ] - [ 0.0001806200000000, 0.0002668800000000, 0.0000280100000000 ] - [ -0.0002261800000000, 0.0002684400000000, 0.0000259700000000 ] - [ 0.0000934700000000, -0.0003753900000000, 0.0016504800000000 ] - [ 0.0001635500000000, -0.0008630200000000, -0.0048081200000000 ] - [ 0.0000299600000000, -0.0000926400000000, -0.0000878800000000 ] - [ -0.0001250900000000, -0.0000458600000000, -0.0000903200000000 ] - [ 0.0000853900000000, 0.0000143400000000, -0.0000488100000000 ] - [ 0.0000233000000000, 0.0002332900000000, -0.0045207700000000 ] - [ 0.0000216700000000, 0.0000424800000000, -0.0000604000000000 ] - [ -0.0001246300000000, 0.0000355500000000, -0.0000581900000000 ] - [ 0.0001593400000000, -0.0007841500000000, 0.0158625700000000 ] - [ -0.0006092400000000, 0.0001572600000000, 0.0000261900000000 ] - [ -0.0000375900000000, -0.0002234500000000, -0.0000378800000000 ] - [ -0.0000438600000000, -0.0002026300000000, -0.0000620800000000 ] - [ 0.0000177300000000, 0.0002588500000000, -0.0000163000000000 ] - [ 0.0006393300000000, -0.0009115800000000, 0.0085854600000000 ] - [ -0.0001338500000000, -0.0000171800000000, -0.0000566600000000 ] - [ -0.0000177800000000, -0.0000198500000000, -0.0000588000000000 ] - [ 0.0004552500000000, 0.0001368600000000, -0.0026423300000000 ] - [ -0.0001977800000000, 0.0003503500000000, 0.0063181700000000 ] - [ 0.0004704900000000, -0.0000908100000000, 0.0001464800000000 ] - [ -0.0006544200000000, -0.0000792800000000, 0.0001544700000000 ] - [ 0.0002325300000000, 0.0000112000000000, -0.0020648600000000 ] - [ -0.0003713500000000, -0.0001230800000000, -0.0001618800000000 ] - [ 0.0002473800000000, 0.0001152100000000, -0.0001818400000000 ] - [ -0.0007642200000000, 0.0002324600000000, 0.0006873400000000 ] - [ 0.0004671400000000, 0.0000123200000000, -0.0001510300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003166400000000, 0.0001874000000000, 0.0001956200000000 ] - [ -0.0003016800000000, -0.0002427300000000, 0.0000369200000000 ] - [ 0.0001910500000000, -0.0002656200000000, 0.0000237600000000 ] - [ 0.0005595200000000, 0.0005291700000000, -0.0020960000000000 ] - [ 0.0003939700000000, 0.0003008600000000, -0.0000380600000000 ] - [ -0.0004088600000000, -0.0003162400000000, -0.0000416000000000 ] - [ 0.0001577200000000, -0.0007118200000000, -0.0005398100000000 ] - [ -0.0004523400000000, 0.0002528500000000, 0.0000178300000000 ] - [ 0.0018173900000000, -0.0005906700000000, 0.0000723200000000 ] - [ -0.0001088100000000, 0.0000219700000000, 0.0000761500000000 ] - [ 0.0000485000000000, 0.0000515000000000, 0.0000890300000000 ] - [ -0.0000640600000000, -0.0000519900000000, 0.0000343800000000 ] - [ -0.0029495700000000, 0.0007031000000000, -0.0000506600000000 ] - [ -0.0000045700000000, 0.0000419900000000, 0.0000504100000000 ] - [ -0.0000568000000000, 0.0000837600000000, 0.0000175300000000 ] - [ -0.0000224100000000, -0.0001771300000000, -0.0000487000000000 ] - [ 0.0002673100000000, -0.0002573800000000, 0.0032178200000000 ] - [ -0.0003387500000000, 0.0000558400000000, 0.0000009300000000 ] - [ 0.0002593500000000, 0.0000454900000000, 0.0000046400000000 ] - [ -0.0001139200000000, 0.0003612200000000, -0.0009457200000000 ] - [ 0.0017654200000000, -0.0001246200000000, -0.0018721400000000 ] - [ 0.0000861700000000, 0.0000238700000000, -0.0010089600000000 ] - [ 0.0000186500000000, -0.0002950600000000, -0.0003045000000000 ] - [ 0.0004661900000000, 0.0002466900000000, 0.0014907000000000 ] - [ 0.0000226500000000, 0.0005904200000000, -0.0017765600000000 ] - [ 0.0000959300000000, -0.0000740300000000, -0.0002489900000000 ] - [ -0.0001740400000000, -0.0000873300000000, -0.0002512900000000 ] - [ -0.0005739000000000, 0.0026924900000000, 0.0009514000000000 ] - [ -0.0004550100000000, -0.0018730000000000, -0.0000208500000000 ] - [ -0.0002005800000000, -0.0001549800000000, 0.0000891400000000 ] - [ 0.0001178400000000, -0.0001716700000000, 0.0001050300000000 ] - [ -0.0002303400000000, 0.0015817100000000, -0.0019185600000000 ] - [ -0.0000797300000000, -0.0000790200000000, 0.0000428400000000 ] - [ 0.0000885100000000, 0.0002499000000000, -0.0001572800000000 ] - [ -0.0001500000000000, 0.0002275800000000, -0.0001568800000000 ] - [ -0.0002515100000000, 0.0001113000000000, -0.0000946300000000 ] - [ -0.0002157200000000, 0.0002608400000000, 0.0003804900000000 ] - [ 0.0000926700000000, -0.0001614000000000, 0.0003826000000000 ] - [ -0.0001808700000000, -0.0001668100000000, 0.0003986000000000 ] - [ -0.0001345100000000, 0.0000266800000000, 0.0001361100000000 ] - [ 0.0000222100000000, 0.0004752100000000, -0.0001969800000000 ] - [ -0.0000907500000000, -0.0003816000000000, 0.0000203300000000 ] - [ 0.0000271700000000, -0.0004564800000000, -0.0000880600000000 ] - [ -0.0001881800000000, 0.0004083600000000, 0.0001521800000000 ] - [ 0.0003081800000000, -0.0003772800000000, 0.0002495400000000 ] - [ -0.0004085100000000, 0.0002420600000000, 0.0000516900000000 ] - [ 0.0003345200000000, 0.0002265400000000, 0.0000575500000000 ] - [ -0.0000958900000000, -0.0002847400000000, -0.0002964700000000 ] - [ -0.0001965300000000, -0.0000387800000000, 0.0003172800000000 ] - [ 0.0002305300000000, 0.0000269200000000, 0.0001833800000000 ] - [ -0.0001755600000000, 0.0000358700000000, 0.0001850500000000 ] - [ 0.0001130200000000, -0.0000634900000000, 0.0001889000000000 ] - [ 0.0003750300000000, -0.0046677300000000, 0.0229241500000000 ] - [ 0.0002303300000000, 0.0001007400000000, 0.0002054800000000 ] - [ -0.0001796000000000, 0.0000998800000000, 0.0002048600000000 ] - [ 0.0001450200000000, -0.0001446300000000, -0.0002225500000000 ] - [ -0.0002395600000000, -0.0002381300000000, 0.0001777800000000 ] - [ 0.0002139700000000, 0.0002683300000000, 0.0000299700000000 ] - [ -0.0001635100000000, 0.0002669500000000, 0.0000330700000000 ] - [ 0.0002743600000000, -0.0001753900000000, -0.0015934800000000 ] - [ -0.0002829100000000, 0.0009243000000000, 0.0046389600000000 ] - [ 0.0001463400000000, 0.0000145000000000, -0.0000893900000000 ] - [ -0.0000515300000000, -0.0000320400000000, -0.0000879000000000 ] - [ 0.0000929300000000, 0.0000640800000000, -0.0001284000000000 ] - [ -0.0001814500000000, -0.0003526400000000, 0.0044263000000000 ] - [ 0.0001294500000000, 0.0000347400000000, -0.0000589800000000 ] - [ -0.0000265700000000, 0.0000416900000000, -0.0000603500000000 ] - [ 0.0000575400000000, 0.0005177400000000, -0.0160069200000000 ] - [ 0.0005880400000000, 0.0003033000000000, -0.0001199500000000 ] - [ 0.0000396400000000, -0.0002389200000000, -0.0000499000000000 ] - [ 0.0000396400000000, -0.0002590600000000, -0.0000258500000000 ] - [ -0.0000169100000000, 0.0002077700000000, -0.0000700100000000 ] - [ -0.0005775400000000, 0.0010634500000000, -0.0087132200000000 ] - [ 0.0000180200000000, -0.0000182000000000, -0.0000569300000000 ] - [ 0.0001357100000000, -0.0000176300000000, -0.0000544400000000 ] - [ -0.0006001300000000, -0.0000671700000000, 0.0025296700000000 ] - [ -0.0008031900000000, -0.0001174100000000, -0.0060312700000000 ] - [ 0.0006106500000000, -0.0000937000000000, 0.0001479100000000 ] - [ -0.0004259700000000, -0.0001073300000000, 0.0001399100000000 ] - [ 0.0008510600000000, 0.0001989100000000, 0.0023674000000000 ] - [ -0.0001882200000000, 0.0000067200000000, -0.0001698700000000 ] - [ 0.0003141100000000, 0.0000017400000000, -0.0001497200000000 ] - [ 0.0002003800000000, -0.0001177100000000, -0.0010212000000000 ] - [ 0.0000971900000000, -0.0001248800000000, -0.0001826000000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0074802700000000, 0.0012005000000000, -0.0001332400000000 ] - [ -0.0025976800000000, -0.0018400700000000, 0.0005819500000000 ] - [ -0.0008684900000000, 0.0000082100000000, 0.0000245000000000 ] - [ -0.0010511100000000, 0.0005003300000000, -0.0000028000000000 ] - [ 0.0114707000000000, 0.0002972900000000, 0.0008453400000000 ] - [ 0.0013405200000000, -0.0019879700000000, 0.0010403000000000 ] - [ -0.0006662100000000, -0.0004800200000000, 0.0000845000000000 ] - [ -0.0014747900000000, 0.0002068200000000, -0.0001747000000000 ] - [ -0.0011130500000000, -0.0005817800000000, 0.0002237300000000 ] - [ -0.0011841200000000, -0.0001399300000000, 0.0000833300000000 ] - [ -0.0018982800000000, 0.0011308400000000, 0.0013485000000000 ] - [ 0.0040414300000000, -0.0017863500000000, -0.0003248900000000 ] - [ -0.0012389400000000, -0.0007126800000000, -0.0002660600000000 ] - [ -0.0011309500000000, -0.0001310900000000, 0.0002137600000000 ] - [ -0.0024581900000000, 0.0012224000000000, -0.0011571300000000 ] - [ 0.0055792300000000, -0.0008177200000000, -0.0007471800000000 ] - [ 0.0011549200000000, -0.0011698500000000, -0.0000749300000000 ] - [ -0.0014041300000000, 0.0003405100000000, -0.0000624600000000 ] - [ -0.0009961300000000, -0.0002373200000000, 0.0000691500000000 ] - [ -0.0034266500000000, 0.0047850300000000, 0.0004283800000000 ] - [ 0.0028635600000000, -0.0008832400000000, 0.0001319700000000 ] - [ -0.0020856000000000, 0.0006725500000000, -0.0004900000000000 ] - [ -0.0009192100000000, -0.0001946100000000, -0.0004618500000000 ] - [ 0.0019565000000000, 0.0000171900000000, -0.0005587100000000 ] - [ -0.0026690700000000, -0.0021447100000000, 0.0021662800000000 ] - [ -0.0009482500000000, -0.0000122700000000, -0.0002677500000000 ] - [ -0.0012770200000000, -0.0001853400000000, -0.0002146100000000 ] - [ 0.0011854300000000, 0.0008608400000000, -0.0004531900000000 ] - [ -0.0025661200000000, -0.0025253400000000, -0.0039606600000000 ] - [ -0.0013137300000000, -0.0000752500000000, -0.0000988300000000 ] - [ -0.0009796200000000, -0.0003512500000000, 0.0002819100000000 ] - [ 0.0006594400000000, 0.0008776200000000, 0.0003161700000000 ] - [ -0.0014173800000000, -0.0004164300000000, -0.0002272700000000 ] - [ -0.0010656600000000, -0.0000860100000000, -0.0001033300000000 ] - [ -0.0002710200000000, 0.0007173400000000, -0.0001283700000000 ] - [ 0.0024698800000000, -0.0004448300000000, -0.0002503800000000 ] - [ -0.0012667200000000, 0.0004998200000000, 0.0004464200000000 ] - [ -0.0010019000000000, 0.0000199200000000, 0.0003121100000000 ] - [ -0.0006342600000000, -0.0006236600000000, 0.0005335100000000 ] - [ 0.0044109800000000, 0.0022738600000000, -0.0003941600000000 ] - [ -0.0011127700000000, 0.0008468000000000, -0.0002450000000000 ] - [ -0.0012769300000000, -0.0002304900000000, 0.0000505500000000 ] - [ -0.0003942000000000, -0.0010025800000000, -0.0002478800000000 ] - [ 0.0045834300000000, 0.0030806300000000, 0.0006943300000000 ] - [ -0.0009747700000000, 0.0003525600000000, 0.0002589100000000 ] - [ -0.0015255000000000, 0.0003219800000000, -0.0000513700000000 ] - [ -0.0002774400000000, 0.0002744600000000, 0.0001181900000000 ] - [ -0.0011814000000000, -0.0002326300000000, -0.0001671100000000 ] - [ 0.0006160800000000, -0.0000295600000000, 0.0001757500000000 ] - [ 0.0009302400000000, 0.0000387900000000, 0.0001888300000000 ] - [ -0.0002521600000000, -0.0004978500000000, 0.0001769000000000 ] - [ -0.0006533800000000, -0.0001181800000000, 0.0001853000000000 ] - [ -0.0002032900000000, 0.0006907700000000, 0.0002505400000000 ] - [ 0.0008498900000000, 0.0000810100000000, 0.0002249600000000 ] - [ 0.0006100900000000, 0.0001104700000000, 0.0001741400000000 ] - [ -0.0000730400000000, -0.0014602500000000, 0.0002955300000000 ] - [ -0.0307559200000000, -0.0065825800000000, -0.0023281400000000 ] - [ 0.0009317300000000, 0.0005857400000000, 0.0001140900000000 ] - [ 0.0004925700000000, 0.0002513900000000, 0.0000483600000000 ] - [ 0.0005184500000000, -0.0002722700000000, 0.0000087500000000 ] - [ 0.0012062600000000, 0.0004825100000000, -0.0000810700000000 ] - [ 0.0014993500000000, 0.0000022900000000, -0.0000754800000000 ] - [ 0.0065274000000000, -0.0005334400000000, -0.0008855800000000 ] - [ -0.0065241800000000, 0.0020898900000000, 0.0002782700000000 ] - [ 0.0151421400000000, 0.0004799000000000, -0.0002212000000000 ] - [ 0.0015890700000000, 0.0001446300000000, -0.0000425400000000 ] - [ 0.0012996000000000, -0.0000515200000000, -0.0001130300000000 ] - [ -0.0020233400000000, 0.0000221800000000, 0.0000978300000000 ] - [ -0.0057512000000000, -0.0024522100000000, -0.0000093100000000 ] - [ 0.0005960200000000, -0.0000901100000000, -0.0000832100000000 ] - [ 0.0014543000000000, -0.0002557700000000, 0.0000159700000000 ] - [ 0.0015898900000000, -0.0000875300000000, -0.0000765300000000 ] - [ 0.0035153300000000, 0.0014384800000000, 0.0000295500000000 ] - [ 0.0023100900000000, 0.0000214800000000, -0.0001278400000000 ] - [ 0.0024920000000000, -0.0008547900000000, 0.0000327700000000 ] - [ -0.0060667600000000, -0.0038004900000000, 0.0000515900000000 ] - [ -0.0088919800000000, 0.0056795100000000, 0.0006964100000000 ] - [ 0.0025201900000000, 0.0004477900000000, 0.0002409700000000 ] - [ 0.0019264200000000, -0.0001048300000000, 0.0001217300000000 ] - [ 0.0027610000000000, -0.0021888000000000, 0.0003590800000000 ] - [ 0.0003704600000000, -0.0045803400000000, 0.0027257500000000 ] - [ 0.0021098100000000, 0.0101564800000000, -0.0011176300000000 ] - [ 0.0022029500000000, 0.0001694400000000, -0.0002219400000000 ] - [ 0.0026049200000000, -0.0001463100000000, -0.0000995300000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0069360000000000, -0.0007370700000000, 0.0001731200000000 ] - [ 0.0020652700000000, 0.0013692000000000, -0.0005141800000000 ] - [ 0.0014073900000000, -0.0004777900000000, 0.0000467100000000 ] - [ 0.0005167400000000, -0.0000299300000000, 0.0000754800000000 ] - [ -0.0097317600000000, 0.0003711900000000, -0.0007926700000000 ] - [ -0.0021620300000000, 0.0013541300000000, -0.0011106100000000 ] - [ 0.0015129500000000, -0.0001422200000000, -0.0001712600000000 ] - [ 0.0006428100000000, 0.0004169900000000, 0.0000889300000000 ] - [ 0.0012972800000000, 0.0004840400000000, -0.0000387700000000 ] - [ 0.0010084200000000, 0.0002459600000000, 0.0001085200000000 ] - [ 0.0020722500000000, -0.0010201500000000, -0.0011498900000000 ] - [ -0.0041994700000000, 0.0016979000000000, 0.0005204800000000 ] - [ 0.0012102100000000, 0.0005507500000000, 0.0003110200000000 ] - [ 0.0011659700000000, 0.0002945900000000, -0.0001677600000000 ] - [ 0.0024368100000000, -0.0010658900000000, 0.0012046500000000 ] - [ -0.0055428400000000, 0.0006686200000000, 0.0007975100000000 ] - [ -0.0005633800000000, 0.0010795500000000, 0.0000809400000000 ] - [ 0.0008083900000000, -0.0002418000000000, 0.0000674300000000 ] - [ 0.0016003800000000, 0.0003384400000000, -0.0000646500000000 ] - [ 0.0027723900000000, -0.0049070600000000, -0.0004271100000000 ] - [ -0.0036331800000000, 0.0004253000000000, -0.0000276200000000 ] - [ 0.0021899600000000, -0.0000868800000000, -0.0001164700000000 ] - [ 0.0010339600000000, -0.0003931800000000, -0.0001443900000000 ] - [ -0.0020779200000000, 0.0005715400000000, -0.0000458300000000 ] - [ 0.0024254400000000, 0.0023257500000000, -0.0026896200000000 ] - [ 0.0012166700000000, -0.0001496400000000, -0.0002328800000000 ] - [ 0.0010147800000000, 0.0000239000000000, -0.0002866900000000 ] - [ -0.0009267400000000, -0.0007021700000000, -0.0000485900000000 ] - [ 0.0028549900000000, 0.0028660900000000, 0.0041702400000000 ] - [ 0.0009933200000000, -0.0002530600000000, 0.0002879300000000 ] - [ 0.0013071400000000, 0.0000245000000000, -0.0000939400000000 ] - [ -0.0009903000000000, -0.0005541900000000, -0.0001297500000000 ] - [ 0.0012152200000000, 0.0000095600000000, -0.0000844400000000 ] - [ 0.0012729900000000, 0.0004913800000000, -0.0002077200000000 ] - [ 0.0000769100000000, -0.0003161000000000, -0.0001820800000000 ] - [ -0.0022629000000000, 0.0000352300000000, -0.0000614200000000 ] - [ 0.0009953300000000, -0.0001708800000000, 0.0003133500000000 ] - [ 0.0012809600000000, -0.0003502100000000, 0.0004510900000000 ] - [ 0.0003630300000000, 0.0002930100000000, 0.0002284500000000 ] - [ -0.0041171300000000, -0.0019605300000000, 0.0011617400000000 ] - [ 0.0012399800000000, 0.0000671300000000, 0.0000827300000000 ] - [ 0.0011584300000000, -0.0006886600000000, -0.0002174800000000 ] - [ 0.0005233500000000, 0.0000873500000000, 0.0000843700000000 ] - [ -0.0046843400000000, -0.0021833900000000, -0.0008655300000000 ] - [ 0.0017408700000000, -0.0008138700000000, -0.0001543200000000 ] - [ 0.0007740300000000, 0.0001363000000000, 0.0001578500000000 ] - [ 0.0010459300000000, 0.0001847900000000, -0.0000138100000000 ] - [ 0.0010765300000000, -0.0003552300000000, -0.0004397800000000 ] - [ -0.0010353800000000, -0.0000378600000000, 0.0001941700000000 ] - [ -0.0005080500000000, 0.0000282000000000, 0.0001815000000000 ] - [ -0.0001712300000000, 0.0005642400000000, 0.0001941300000000 ] - [ 0.0010745400000000, 0.0000501800000000, 0.0001854200000000 ] - [ -0.0002076100000000, -0.0008896800000000, 0.0001582100000000 ] - [ -0.0004393700000000, 0.0001154500000000, 0.0001861000000000 ] - [ -0.0010229600000000, 0.0000849300000000, 0.0002362500000000 ] - [ 0.0004951800000000, 0.0012744300000000, 0.0001131300000000 ] - [ 0.0295388900000000, 0.0059307600000000, 0.0022302000000000 ] - [ -0.0005398200000000, -0.0000459100000000, -0.0000564800000000 ] - [ -0.0008804800000000, 0.0002866500000000, 0.0000099900000000 ] - [ -0.0001271100000000, -0.0002672700000000, 0.0000494400000000 ] - [ -0.0013840800000000, -0.0004085400000000, -0.0000953300000000 ] - [ -0.0013231500000000, -0.0000803100000000, -0.0001021000000000 ] - [ -0.0066712300000000, 0.0004682300000000, 0.0007330100000000 ] - [ 0.0066315800000000, -0.0020363700000000, -0.0004542700000000 ] - [ -0.0155505700000000, -0.0005531800000000, 0.0000907800000000 ] - [ -0.0014387200000000, -0.0000673500000000, -0.0000777900000000 ] - [ -0.0014513600000000, 0.0001282500000000, -0.0000067000000000 ] - [ 0.0021907700000000, -0.0001015000000000, -0.0002181200000000 ] - [ 0.0057523400000000, 0.0029559500000000, -0.0000725000000000 ] - [ -0.0005988800000000, -0.0003695800000000, -0.0000043600000000 ] - [ -0.0014567500000000, -0.0002055700000000, -0.0001034500000000 ] - [ -0.0015908000000000, 0.0005526400000000, -0.0000106000000000 ] - [ -0.0034105900000000, -0.0014067100000000, -0.0001387000000000 ] - [ -0.0024275300000000, -0.0000582900000000, 0.0000137100000000 ] - [ -0.0023775900000000, 0.0008144000000000, -0.0001492100000000 ] - [ 0.0059958900000000, 0.0038322500000000, -0.0001698800000000 ] - [ 0.0078857400000000, -0.0054865800000000, -0.0004045300000000 ] - [ -0.0014439100000000, -0.0006310100000000, 0.0000532700000000 ] - [ -0.0030070700000000, -0.0000809600000000, 0.0001716600000000 ] - [ -0.0016840100000000, 0.0023828000000000, -0.0000658400000000 ] - [ -0.0009451800000000, 0.0044348700000000, -0.0030420800000000 ] - [ -0.0015484900000000, -0.0099681900000000, 0.0007816900000000 ] - [ -0.0027666200000000, -0.0000528400000000, -0.0001101800000000 ] - [ -0.0020454700000000, 0.0000301600000000, -0.0002338200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007104800000000, 0.0076434400000000, 0.0002031000000000 ] - [ -0.0006331500000000, 0.0004290800000000, -0.0001382800000000 ] - [ 0.0002358900000000, -0.0002512900000000, 0.0000364500000000 ] - [ -0.0001810500000000, -0.0001201600000000, 0.0000327500000000 ] - [ 0.0007503300000000, 0.0039220600000000, -0.0003877100000000 ] - [ -0.0025872700000000, 0.0024176300000000, 0.0007015500000000 ] - [ 0.0003420500000000, -0.0004158700000000, -0.0000583500000000 ] - [ -0.0004483300000000, 0.0002496000000000, -0.0000354700000000 ] - [ -0.0001140800000000, -0.0001685800000000, 0.0001942600000000 ] - [ -0.0001084500000000, 0.0000217800000000, 0.0000788600000000 ] - [ 0.0006108500000000, 0.0007048400000000, 0.0005437700000000 ] - [ -0.0015686200000000, -0.0033108400000000, -0.0018806600000000 ] - [ -0.0002873400000000, -0.0002448300000000, -0.0001129500000000 ] - [ -0.0000110600000000, 0.0000564300000000, 0.0000368200000000 ] - [ 0.0000330900000000, 0.0005354800000000, -0.0003212900000000 ] - [ -0.0002823700000000, 0.0004134500000000, 0.0007176000000000 ] - [ -0.0002386700000000, -0.0010856200000000, -0.0001369300000000 ] - [ -0.0003367900000000, -0.0000247500000000, 0.0000088200000000 ] - [ 0.0003212700000000, 0.0001760900000000, -0.0000029900000000 ] - [ 0.0039110800000000, 0.0014528200000000, 0.0000981100000000 ] - [ -0.0019675200000000, -0.0049436500000000, 0.0000267100000000 ] - [ 0.0000787700000000, 0.0015968300000000, 0.0001045700000000 ] - [ 0.0001265700000000, -0.0004714400000000, -0.0002814000000000 ] - [ -0.0003474300000000, -0.0022747700000000, -0.0006550100000000 ] - [ -0.0024541900000000, 0.0016952300000000, -0.0000753700000000 ] - [ 0.0000406300000000, -0.0000414800000000, -0.0002194500000000 ] - [ -0.0001018600000000, -0.0001060100000000, -0.0002792500000000 ] - [ 0.0006720300000000, -0.0010072800000000, 0.0003079600000000 ] - [ -0.0020302400000000, 0.0028652400000000, -0.0000652700000000 ] - [ -0.0002769900000000, -0.0001150300000000, 0.0000440700000000 ] - [ 0.0001833700000000, -0.0001839900000000, 0.0001138400000000 ] - [ 0.0000154900000000, -0.0006112800000000, -0.0002718200000000 ] - [ -0.0001512600000000, 0.0000146400000000, -0.0001622100000000 ] - [ 0.0000981000000000, 0.0002346100000000, -0.0001558000000000 ] - [ 0.0010750200000000, -0.0006760700000000, -0.0001020600000000 ] - [ 0.0006105400000000, -0.0051388000000000, -0.0002973900000000 ] - [ -0.0000048400000000, 0.0002388700000000, 0.0004643200000000 ] - [ 0.0001004300000000, -0.0001433900000000, 0.0003794000000000 ] - [ -0.0006946500000000, -0.0011303600000000, 0.0008307600000000 ] - [ 0.0019872100000000, -0.0037552600000000, 0.0031332300000000 ] - [ 0.0002057800000000, 0.0005062200000000, -0.0001664700000000 ] - [ -0.0001088200000000, -0.0004285100000000, -0.0000661100000000 ] - [ -0.0007396900000000, -0.0014399600000000, -0.0005668600000000 ] - [ 0.0018280400000000, -0.0021014300000000, -0.0033234700000000 ] - [ 0.0006126500000000, 0.0002312700000000, -0.0001713200000000 ] - [ -0.0003978800000000, 0.0002605100000000, 0.0000561500000000 ] - [ 0.0003306100000000, -0.0002073400000000, 0.0000214800000000 ] - [ -0.0001042500000000, -0.0002490600000000, -0.0003049200000000 ] - [ -0.0001905300000000, -0.0000975900000000, 0.0001845400000000 ] - [ 0.0002153800000000, 0.0000157600000000, 0.0001848700000000 ] - [ -0.0010152700000000, 0.0005484000000000, 0.0001729400000000 ] - [ 0.0002337200000000, 0.0022264600000000, 0.0001743400000000 ] - [ 0.0003446200000000, 0.0003547500000000, 0.0001758500000000 ] - [ 0.0002262000000000, 0.0001208900000000, 0.0002064400000000 ] - [ -0.0001963400000000, 0.0000332100000000, 0.0002059600000000 ] - [ -0.0011756400000000, -0.0006774900000000, 0.0001062700000000 ] - [ -0.0064783600000000, -0.0185284200000000, 0.0026890900000000 ] - [ 0.0005089200000000, 0.0001002200000000, 0.0000007400000000 ] - [ -0.0001750200000000, 0.0002769700000000, 0.0000297100000000 ] - [ 0.0001948600000000, -0.0001352200000000, 0.0000307800000000 ] - [ 0.0000186700000000, 0.0003408700000000, -0.0000098800000000 ] - [ 0.0001303600000000, 0.0000030000000000, -0.0000901400000000 ] - [ 0.0000235300000000, -0.0010670700000000, -0.0001993800000000 ] - [ 0.0033681000000000, -0.0049047300000000, -0.0006862700000000 ] - [ 0.0003692300000000, -0.0072648300000000, -0.0008053300000000 ] - [ 0.0001515200000000, -0.0000819900000000, -0.0000331100000000 ] - [ -0.0001045600000000, 0.0001130000000000, -0.0000820100000000 ] - [ 0.0004487800000000, 0.0017478800000000, 0.0000157800000000 ] - [ -0.0009690700000000, 0.0148998100000000, 0.0012377300000000 ] - [ -0.0001439000000000, 0.0014651000000000, -0.0000431800000000 ] - [ 0.0000422700000000, -0.0002820000000000, -0.0000437000000000 ] - [ -0.0001032200000000, 0.0000323100000000, -0.0000577900000000 ] - [ 0.0013407100000000, -0.0002749100000000, -0.0002355400000000 ] - [ 0.0000503700000000, -0.0000130300000000, -0.0000575600000000 ] - [ -0.0004122800000000, -0.0000013300000000, -0.0000172200000000 ] - [ -0.0043007000000000, 0.0116190100000000, 0.0002650500000000 ] - [ 0.0050152400000000, 0.0023544400000000, 0.0003228800000000 ] - [ 0.0010244000000000, 0.0000959500000000, 0.0001413200000000 ] - [ -0.0004989300000000, -0.0001315800000000, 0.0001448000000000 ] - [ -0.0008680300000000, 0.0005352100000000, 0.0000788000000000 ] - [ -0.0058645800000000, -0.0050611300000000, -0.0006887900000000 ] - [ 0.0099547100000000, 0.0065273400000000, -0.0008699800000000 ] - [ -0.0000864200000000, 0.0000482200000000, -0.0001687200000000 ] - [ 0.0002177800000000, 0.0000434300000000, -0.0001750900000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001681200000000, -0.0071644500000000, -0.0001524900000000 ] - [ 0.0001018900000000, -0.0008926300000000, 0.0002074400000000 ] - [ 0.0003019000000000, -0.0002212700000000, 0.0000355200000000 ] - [ -0.0003549400000000, 0.0005918800000000, 0.0000399300000000 ] - [ 0.0000463100000000, -0.0033032600000000, 0.0002962700000000 ] - [ 0.0017518500000000, -0.0030183500000000, -0.0007846900000000 ] - [ 0.0004956500000000, -0.0002088500000000, -0.0000274200000000 ] - [ -0.0003829600000000, 0.0003736000000000, -0.0000494000000000 ] - [ 0.0002939700000000, 0.0000664100000000, -0.0000072800000000 ] - [ -0.0000709000000000, 0.0000812000000000, 0.0001108100000000 ] - [ -0.0004262200000000, -0.0006053400000000, -0.0003577500000000 ] - [ 0.0013790600000000, 0.0032279800000000, 0.0020478500000000 ] - [ 0.0002541100000000, 0.0000779400000000, 0.0001562500000000 ] - [ 0.0000433100000000, 0.0001064500000000, 0.0000089300000000 ] - [ -0.0000551900000000, -0.0003787500000000, 0.0003710000000000 ] - [ 0.0003264400000000, -0.0003581500000000, -0.0007997800000000 ] - [ 0.0008443500000000, 0.0009791200000000, 0.0001429400000000 ] - [ -0.0002635200000000, 0.0001240600000000, -0.0000042600000000 ] - [ 0.0002814700000000, -0.0000749200000000, 0.0000069200000000 ] - [ -0.0045269600000000, -0.0015130900000000, -0.0000944800000000 ] - [ 0.0012158900000000, 0.0045121900000000, 0.0000863800000000 ] - [ 0.0000165700000000, -0.0010048800000000, -0.0007108800000000 ] - [ -0.0000181700000000, -0.0001187100000000, -0.0003254800000000 ] - [ 0.0002451100000000, 0.0028615600000000, 0.0000456300000000 ] - [ 0.0021867600000000, -0.0015507800000000, -0.0004197500000000 ] - [ 0.0002241600000000, -0.0001198800000000, -0.0002806300000000 ] - [ -0.0001631800000000, -0.0000568600000000, -0.0002222200000000 ] - [ -0.0003986500000000, 0.0011720900000000, -0.0008083200000000 ] - [ 0.0023328500000000, -0.0025586200000000, 0.0002448200000000 ] - [ -0.0000452100000000, -0.0002135200000000, 0.0001472900000000 ] - [ 0.0001391300000000, -0.0001452600000000, 0.0000771400000000 ] - [ -0.0003321800000000, 0.0009420900000000, 0.0004624800000000 ] - [ -0.0000558500000000, -0.0004207200000000, -0.0001498900000000 ] - [ 0.0001074300000000, 0.0001706900000000, -0.0001555800000000 ] - [ -0.0012828600000000, 0.0010755500000000, -0.0002100700000000 ] - [ -0.0004124200000000, 0.0047387000000000, -0.0000097900000000 ] - [ -0.0002709900000000, 0.0000922100000000, 0.0002987500000000 ] - [ 0.0001764800000000, -0.0001876400000000, 0.0003849600000000 ] - [ 0.0004132300000000, 0.0007977800000000, -0.0000639200000000 ] - [ -0.0017203200000000, 0.0040459700000000, -0.0023896200000000 ] - [ -0.0000826100000000, 0.0004100000000000, 0.0000020200000000 ] - [ -0.0000125600000000, -0.0004908300000000, -0.0001004000000000 ] - [ 0.0008574000000000, 0.0005233700000000, 0.0003998500000000 ] - [ -0.0019543000000000, 0.0029400900000000, 0.0031669000000000 ] - [ 0.0001477700000000, -0.0006878100000000, 0.0002756400000000 ] - [ -0.0003602200000000, 0.0001972300000000, 0.0000493600000000 ] - [ 0.0004312200000000, 0.0006641100000000, 0.0000828400000000 ] - [ -0.0000019400000000, -0.0003388900000000, -0.0003023200000000 ] - [ -0.0002288900000000, 0.0000278100000000, 0.0001854200000000 ] - [ 0.0002024900000000, 0.0000508400000000, 0.0001840300000000 ] - [ 0.0006024300000000, -0.0004792200000000, 0.0001960800000000 ] - [ 0.0001875600000000, -0.0022960900000000, 0.0001966200000000 ] - [ -0.0007620200000000, -0.0005469700000000, 0.0002341900000000 ] - [ 0.0001853000000000, 0.0000737200000000, 0.0002034400000000 ] - [ -0.0002141800000000, 0.0001616400000000, 0.0002037800000000 ] - [ 0.0015870900000000, 0.0004709800000000, 0.0003030200000000 ] - [ 0.0060311100000000, 0.0179421100000000, -0.0024234300000000 ] - [ -0.0001180800000000, 0.0004351000000000, 0.0000564400000000 ] - [ -0.0002161500000000, 0.0002577100000000, 0.0000280700000000 ] - [ 0.0001932500000000, -0.0004033300000000, 0.0000273400000000 ] - [ -0.0001969500000000, -0.0002632500000000, -0.0001657300000000 ] - [ 0.0000461200000000, -0.0000812100000000, -0.0000872900000000 ] - [ -0.0002245200000000, 0.0009928300000000, 0.0000275600000000 ] - [ -0.0031908900000000, 0.0048987400000000, 0.0005271900000000 ] - [ -0.0004547800000000, 0.0071856500000000, 0.0006785600000000 ] - [ -0.0000009700000000, 0.0001575800000000, -0.0000865700000000 ] - [ -0.0000456700000000, -0.0000356000000000, -0.0000369600000000 ] - [ -0.0003076800000000, -0.0018258100000000, -0.0001367700000000 ] - [ 0.0010191200000000, -0.0146110800000000, -0.0013497600000000 ] - [ 0.0001500300000000, -0.0019270400000000, -0.0000453700000000 ] - [ -0.0000465200000000, -0.0001809800000000, -0.0000443000000000 ] - [ 0.0001071200000000, 0.0004295000000000, -0.0000300000000000 ] - [ -0.0012173400000000, 0.0003159800000000, 0.0001242600000000 ] - [ -0.0001673500000000, -0.0000234700000000, -0.0000562800000000 ] - [ 0.0005299100000000, -0.0000315200000000, -0.0000973300000000 ] - [ 0.0041382200000000, -0.0115167600000000, -0.0003798700000000 ] - [ -0.0061312200000000, -0.0021265100000000, -0.0000305800000000 ] - [ 0.0000610800000000, -0.0002852000000000, 0.0001526300000000 ] - [ -0.0005828500000000, -0.0000557800000000, 0.0001492100000000 ] - [ 0.0019457400000000, -0.0003581100000000, 0.0002158300000000 ] - [ 0.0053008300000000, 0.0049982500000000, 0.0003514000000000 ] - [ -0.0093041100000000, -0.0063973800000000, 0.0005241400000000 ] - [ -0.0004742300000000, 0.0000676300000000, -0.0001628700000000 ] - [ 0.0003429300000000, -0.0001595500000000, -0.0001576100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004637400000000, 0.0007558000000000, -0.0024797800000000 ] - [ -0.0005767500000000, -0.0005373600000000, 0.0001326800000000 ] - [ 0.0002399500000000, -0.0002367300000000, 0.0000379500000000 ] - [ -0.0002897300000000, 0.0002073600000000, 0.0000419300000000 ] - [ 0.0018592100000000, 0.0001993400000000, 0.0017048300000000 ] - [ -0.0000056600000000, -0.0003569200000000, -0.0018797800000000 ] - [ 0.0003850100000000, -0.0003192500000000, -0.0000371800000000 ] - [ -0.0004409100000000, 0.0003087600000000, -0.0000431500000000 ] - [ 0.0000605100000000, -0.0000594700000000, 0.0001056800000000 ] - [ -0.0001176000000000, 0.0000524000000000, 0.0001005600000000 ] - [ -0.0000726000000000, 0.0002167300000000, 0.0002143400000000 ] - [ -0.0008094300000000, -0.0029149300000000, -0.0009236200000000 ] - [ -0.0000125000000000, -0.0001434900000000, -0.0000617000000000 ] - [ -0.0000152300000000, 0.0000779600000000, 0.0000288200000000 ] - [ -0.0001555000000000, 0.0000660100000000, -0.0001072900000000 ] - [ 0.0002762000000000, 0.0008655200000000, 0.0001730600000000 ] - [ 0.0003633200000000, -0.0002011700000000, -0.0001823700000000 ] - [ -0.0003290300000000, 0.0000604700000000, 0.0000002200000000 ] - [ 0.0002592900000000, 0.0000339900000000, 0.0000027100000000 ] - [ 0.0005218200000000, -0.0003493100000000, 0.0020249200000000 ] - [ -0.0005963400000000, -0.0005876800000000, 0.0007355500000000 ] - [ -0.0002523400000000, 0.0006280400000000, 0.0002195600000000 ] - [ 0.0000341300000000, -0.0002826200000000, -0.0003109300000000 ] - [ 0.0001205300000000, 0.0003328500000000, -0.0004380200000000 ] - [ 0.0016971600000000, 0.0005938400000000, -0.0001469100000000 ] - [ 0.0001019600000000, -0.0000854100000000, -0.0002498700000000 ] - [ -0.0001696500000000, -0.0000790100000000, -0.0002443400000000 ] - [ 0.0000449200000000, 0.0001255100000000, -0.0001562300000000 ] - [ -0.0027740900000000, -0.0006677600000000, -0.0001633500000000 ] - [ -0.0001893900000000, -0.0001713500000000, 0.0000883100000000 ] - [ 0.0001287000000000, -0.0001676500000000, 0.0000990000000000 ] - [ -0.0002083900000000, 0.0001019100000000, 0.0000790900000000 ] - [ -0.0001732400000000, -0.0001598400000000, -0.0001474000000000 ] - [ 0.0000681800000000, 0.0001890000000000, -0.0001535100000000 ] - [ -0.0001152300000000, 0.0003223400000000, -0.0003426000000000 ] - [ 0.0001683900000000, -0.0002137000000000, 0.0010357800000000 ] - [ -0.0001511600000000, 0.0001825500000000, 0.0003871300000000 ] - [ 0.0001026700000000, -0.0001534500000000, 0.0003684700000000 ] - [ -0.0000982000000000, -0.0001463800000000, 0.0003877300000000 ] - [ -0.0005048200000000, 0.0028182200000000, 0.0008715500000000 ] - [ 0.0000434200000000, 0.0004947500000000, -0.0001129100000000 ] - [ -0.0000960600000000, -0.0004532900000000, -0.0000781100000000 ] - [ 0.0000619300000000, -0.0003485500000000, 0.0000095000000000 ] - [ 0.0007647900000000, -0.0020402900000000, -0.0002954000000000 ] - [ 0.0003556500000000, -0.0001804500000000, -0.0000123500000000 ] - [ -0.0004249100000000, 0.0002318700000000, 0.0000487000000000 ] - [ 0.0003979300000000, 0.0002536600000000, 0.0000590800000000 ] - [ -0.0000801900000000, -0.0002938000000000, -0.0003007900000000 ] - [ -0.0001785400000000, -0.0000339600000000, 0.0001867000000000 ] - [ 0.0002290300000000, 0.0000319700000000, 0.0001860200000000 ] - [ -0.0002969600000000, 0.0000300500000000, 0.0000352700000000 ] - [ 0.0001858200000000, 0.0000148600000000, 0.0006368900000000 ] - [ -0.0001748800000000, -0.0000922800000000, 0.0000577300000000 ] - [ 0.0002195600000000, 0.0000962300000000, 0.0002062100000000 ] - [ -0.0001738600000000, 0.0000961600000000, 0.0002023100000000 ] - [ 0.0002852200000000, -0.0001595500000000, 0.0018285500000000 ] - [ -0.0025072400000000, 0.0022455600000000, -0.0203389100000000 ] - [ 0.0001134700000000, 0.0002974600000000, 0.0000440400000000 ] - [ -0.0001783700000000, 0.0002679100000000, 0.0000296800000000 ] - [ 0.0002188000000000, -0.0002666100000000, 0.0000316400000000 ] - [ -0.0000514100000000, 0.0000519100000000, -0.0000988100000000 ] - [ 0.0001206800000000, -0.0000354800000000, -0.0000879100000000 ] - [ 0.0002158800000000, -0.0000793300000000, -0.0001839200000000 ] - [ 0.0003763100000000, 0.0004291300000000, 0.0161772300000000 ] - [ 0.0000349800000000, -0.0006943500000000, -0.0047355200000000 ] - [ 0.0001116400000000, 0.0000491700000000, -0.0000605800000000 ] - [ -0.0000390300000000, 0.0000289800000000, -0.0000629200000000 ] - [ 0.0000436600000000, -0.0000653100000000, 0.0000427600000000 ] - [ 0.0001211000000000, 0.0011014100000000, -0.0050013700000000 ] - [ 0.0000140000000000, -0.0003024200000000, -0.0000165800000000 ] - [ 0.0000334700000000, -0.0002336300000000, -0.0000419400000000 ] - [ 0.0000578300000000, 0.0001792700000000, -0.0000574600000000 ] - [ 0.0004273700000000, 0.0002024300000000, 0.0007982500000000 ] - [ -0.0000033600000000, -0.0000183300000000, -0.0000584900000000 ] - [ 0.0001596600000000, -0.0000777300000000, -0.0000363300000000 ] - [ -0.0001304800000000, 0.0002452500000000, -0.0023248900000000 ] - [ -0.0007822800000000, 0.0003091700000000, 0.0088172500000000 ] - [ 0.0005606500000000, -0.0000362700000000, 0.0001525600000000 ] - [ -0.0004774200000000, -0.0000923800000000, 0.0001492900000000 ] - [ 0.0004162600000000, 0.0001499300000000, 0.0001320400000000 ] - [ 0.0018158100000000, -0.0011307600000000, 0.0064486100000000 ] - [ -0.0007619000000000, -0.0004960400000000, -0.0028161000000000 ] - [ -0.0002000200000000, 0.0000733700000000, -0.0001643900000000 ] - [ 0.0003340700000000, -0.0000548000000000, -0.0001664900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000976200000000, -0.0002494600000000, 0.0031519400000000 ] - [ 0.0000439600000000, 0.0000665800000000, -0.0000638800000000 ] - [ 0.0002972000000000, -0.0002357800000000, 0.0000342100000000 ] - [ -0.0002483900000000, 0.0002676700000000, 0.0000314800000000 ] - [ -0.0010521300000000, 0.0004227800000000, -0.0017932500000000 ] - [ -0.0008543600000000, -0.0002852000000000, 0.0017884800000000 ] - [ 0.0004529400000000, -0.0003039300000000, -0.0000484000000000 ] - [ -0.0003916900000000, 0.0003147000000000, -0.0000420700000000 ] - [ 0.0001195600000000, -0.0000417400000000, 0.0000818000000000 ] - [ -0.0000617300000000, 0.0000526700000000, 0.0000912300000000 ] - [ 0.0002524800000000, -0.0001117800000000, -0.0000288300000000 ] - [ 0.0006279600000000, 0.0027781800000000, 0.0011464200000000 ] - [ -0.0000205100000000, -0.0000218700000000, 0.0001049100000000 ] - [ 0.0000474100000000, 0.0000859500000000, 0.0000164500000000 ] - [ 0.0001284400000000, 0.0000927100000000, 0.0001583900000000 ] - [ -0.0002348700000000, -0.0009596900000000, -0.0002156800000000 ] - [ 0.0002413100000000, 0.0001023600000000, 0.0001873900000000 ] - [ -0.0002711900000000, 0.0000408500000000, 0.0000047200000000 ] - [ 0.0003427800000000, 0.0000689900000000, 0.0000014400000000 ] - [ -0.0011410200000000, 0.0002535400000000, -0.0020109800000000 ] - [ -0.0001643000000000, 0.0001269600000000, -0.0006345200000000 ] - [ 0.0003502800000000, -0.0000436900000000, -0.0008284800000000 ] - [ 0.0000750800000000, -0.0003053600000000, -0.0002953900000000 ] - [ -0.0002304800000000, 0.0002614300000000, -0.0001670200000000 ] - [ -0.0019545400000000, -0.0004335300000000, -0.0003412500000000 ] - [ 0.0001629200000000, -0.0000766300000000, -0.0002513000000000 ] - [ -0.0000961600000000, -0.0000836700000000, -0.0002577700000000 ] - [ 0.0002215900000000, 0.0000384800000000, -0.0003483500000000 ] - [ 0.0030879500000000, 0.0009916400000000, 0.0003196700000000 ] - [ -0.0001331000000000, -0.0001575700000000, 0.0001039500000000 ] - [ 0.0001935400000000, -0.0001608900000000, 0.0000925700000000 ] - [ -0.0001143500000000, 0.0002286600000000, 0.0001138100000000 ] - [ -0.0000333900000000, -0.0002455800000000, -0.0001646100000000 ] - [ 0.0001365600000000, 0.0002158400000000, -0.0001576200000000 ] - [ -0.0000895900000000, 0.0000849500000000, 0.0000311100000000 ] - [ 0.0000374200000000, -0.0001884900000000, -0.0013427100000000 ] - [ -0.0001248600000000, 0.0001470900000000, 0.0003736500000000 ] - [ 0.0001736100000000, -0.0001759900000000, 0.0003949300000000 ] - [ -0.0001776600000000, -0.0001831600000000, 0.0003720100000000 ] - [ 0.0007804400000000, -0.0024884600000000, -0.0000779300000000 ] - [ 0.0000794200000000, 0.0004211000000000, -0.0000505400000000 ] - [ -0.0000258700000000, -0.0004651600000000, -0.0000881600000000 ] - [ 0.0000602600000000, -0.0005670500000000, -0.0001718900000000 ] - [ -0.0008820700000000, 0.0029318600000000, 0.0000917100000000 ] - [ 0.0004047000000000, -0.0002775200000000, 0.0001182600000000 ] - [ -0.0003332300000000, 0.0002260900000000, 0.0000570600000000 ] - [ 0.0003658800000000, 0.0002049000000000, 0.0000451700000000 ] - [ -0.0000275700000000, -0.0002934400000000, -0.0003055900000000 ] - [ -0.0002402500000000, -0.0000343400000000, 0.0001832700000000 ] - [ 0.0001903600000000, 0.0000353200000000, 0.0001839600000000 ] - [ -0.0001230200000000, 0.0000392900000000, 0.0003345500000000 ] - [ 0.0002325600000000, -0.0000809700000000, -0.0002657100000000 ] - [ -0.0002354700000000, -0.0001028300000000, 0.0003525200000000 ] - [ 0.0001906300000000, 0.0000997500000000, 0.0002050300000000 ] - [ -0.0002354200000000, 0.0001003000000000, 0.0002084000000000 ] - [ 0.0001032800000000, -0.0000228300000000, -0.0014161200000000 ] - [ 0.0020497900000000, -0.0028672100000000, 0.0198125800000000 ] - [ 0.0002815600000000, 0.0002397900000000, 0.0000135300000000 ] - [ -0.0002131100000000, 0.0002677500000000, 0.0000285900000000 ] - [ 0.0001734200000000, -0.0002707400000000, 0.0000261700000000 ] - [ -0.0001267300000000, 0.0000243200000000, -0.0000766000000000 ] - [ 0.0000566400000000, -0.0000425200000000, -0.0000891800000000 ] - [ -0.0004124100000000, 0.0000047300000000, 0.0000144400000000 ] - [ -0.0001360800000000, -0.0001648600000000, -0.0163229200000000 ] - [ -0.0001277900000000, 0.0006321000000000, 0.0046147900000000 ] - [ 0.0000399400000000, 0.0000276500000000, -0.0000591000000000 ] - [ -0.0001118800000000, 0.0000483400000000, -0.0000561700000000 ] - [ 0.0001062400000000, -0.0000148400000000, -0.0001621900000000 ] - [ -0.0001315300000000, -0.0005958900000000, 0.0049104900000000 ] - [ -0.0000111300000000, -0.0001595600000000, -0.0000707400000000 ] - [ -0.0000364400000000, -0.0002281500000000, -0.0000460300000000 ] - [ -0.0000552600000000, 0.0002844600000000, -0.0000300300000000 ] - [ -0.0003136300000000, -0.0001629500000000, -0.0009098800000000 ] - [ -0.0001119800000000, -0.0000186500000000, -0.0000555300000000 ] - [ -0.0000413600000000, 0.0000397100000000, -0.0000776600000000 ] - [ 0.0000143500000000, -0.0002301200000000, 0.0022026700000000 ] - [ -0.0003508100000000, -0.0002303800000000, -0.0085096200000000 ] - [ 0.0005203100000000, -0.0001482700000000, 0.0001422400000000 ] - [ -0.0006017000000000, -0.0000930400000000, 0.0001449900000000 ] - [ 0.0006663300000000, 0.0000308500000000, 0.0001630400000000 ] - [ -0.0022902700000000, 0.0009641400000000, -0.0067777800000000 ] - [ 0.0012955500000000, 0.0005774400000000, 0.0024923200000000 ] - [ -0.0003604600000000, 0.0000428500000000, -0.0001682000000000 ] - [ 0.0002275400000000, -0.0000609500000000, -0.0001666300000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020194100000000, -0.0004570100000000, 0.0000106400000000 ] - [ -0.0026367300000000, -0.0007746700000000, 0.0000681400000000 ] - [ -0.0022890300000000, 0.0014971900000000, 0.0019530600000000 ] - [ 0.0803637200000000, -0.0700957200000000, -0.0181622400000000 ] - [ -0.0018844400000000, 0.0004787200000000, 0.0002579900000000 ] - [ -0.0027012400000000, -0.0001474500000000, -0.0003432200000000 ] - [ 0.2042751600000000, 0.0218382300000000, -0.0332818400000000 ] - [ 0.0024344400000000, -0.0047257600000000, 0.0006843700000000 ] - [ 0.0471857700000000, 0.0120698100000000, -0.0167998200000000 ] - [ -0.0026236600000000, -0.0043924800000000, -0.0005724200000000 ] - [ -0.0022518400000000, 0.0004832000000000, 0.0001345400000000 ] - [ -0.0023534900000000, 0.0004592600000000, 0.0000567300000000 ] - [ 0.0742975100000000, 0.0281643400000000, 0.0580716800000000 ] - [ -0.0017876100000000, -0.0028334500000000, 0.0005514000000000 ] - [ -0.0024686900000000, 0.0005596400000000, -0.0003870400000000 ] - [ -0.0023028100000000, 0.0004947200000000, 0.0004097700000000 ] - [ -0.0035948800000000, -0.0000919400000000, 0.0011787200000000 ] - [ -0.0029514500000000, 0.0002467500000000, -0.0001226100000000 ] - [ -0.0020183600000000, -0.0003608400000000, 0.0001241000000000 ] - [ -0.0015336000000000, -0.0004202700000000, -0.0001824300000000 ] - [ -0.0033489900000000, -0.0003977700000000, -0.0001526500000000 ] - [ 0.0004384700000000, -0.0017799400000000, 0.0002740900000000 ] - [ -0.0023805100000000, -0.0005114800000000, -0.0005681200000000 ] - [ -0.0028206100000000, 0.0004327300000000, -0.0000287100000000 ] - [ -0.0016694400000000, -0.0016306500000000, -0.0010488000000000 ] - [ -0.0020688000000000, 0.0001988600000000, -0.0002480000000000 ] - [ -0.0025361400000000, -0.0003207900000000, -0.0002268900000000 ] - [ -0.0015025400000000, 0.0016203600000000, -0.0008251700000000 ] - [ -0.0013288800000000, -0.0003602900000000, 0.0003150700000000 ] - [ -0.0024049300000000, 0.0002494800000000, -0.0003290400000000 ] - [ -0.0025861600000000, -0.0004472800000000, 0.0004978500000000 ] - [ -0.0028105600000000, 0.0028452800000000, -0.0003974100000000 ] - [ 0.0068286700000000, -0.0007945900000000, -0.0001979900000000 ] - [ 0.0009972100000000, 0.0001345500000000, -0.0000117400000000 ] - [ -0.0025639100000000, 0.0008356700000000, -0.0002667100000000 ] - [ -0.0024628900000000, 0.0005586000000000, -0.0000653000000000 ] - [ 0.0075907100000000, 0.0006708300000000, 0.0001588000000000 ] - [ -0.0009881800000000, 0.0029752600000000, 0.0023181400000000 ] - [ -0.0024789900000000, -0.0005489200000000, 0.0004995100000000 ] - [ -0.0023014300000000, -0.0002942700000000, 0.0002241200000000 ] - [ 0.0079702500000000, 0.0000267900000000, 0.0003021200000000 ] - [ -0.0018732900000000, 0.0033506500000000, -0.0021194000000000 ] - [ -0.0024368600000000, -0.0009390100000000, -0.0003517200000000 ] - [ -0.0027002800000000, -0.0001508700000000, 0.0002288200000000 ] - [ 0.0038075200000000, -0.0014088900000000, -0.0003070800000000 ] - [ -0.0018768600000000, 0.0008740200000000, 0.0001137700000000 ] - [ -0.0019849800000000, -0.0000051500000000, 0.0002598800000000 ] - [ -0.0020092500000000, -0.0001126600000000, -0.0000164900000000 ] - [ -0.0055296700000000, -0.0011940000000000, 0.0002047500000000 ] - [ -0.0019802900000000, 0.0003262900000000, 0.0001785400000000 ] - [ 0.0012890500000000, -0.0000018500000000, 0.0001796100000000 ] - [ 0.0017431000000000, -0.0001021700000000, 0.0001910000000000 ] - [ 0.0158786500000000, -0.0005265700000000, 0.0004255700000000 ] - [ 0.0017747700000000, 0.0002068300000000, 0.0002568700000000 ] - [ 0.0011559700000000, 0.0000677700000000, 0.0001620700000000 ] - [ 0.0007644700000000, -0.0002416300000000, 0.0002026100000000 ] - [ 0.0010964200000000, -0.0001543600000000, 0.0000605600000000 ] - [ 0.0016138600000000, 0.0003056000000000, -0.0000092800000000 ] - [ 0.0063788300000000, 0.0001327200000000, 0.0003426100000000 ] - [ -0.0064019000000000, -0.0035370000000000, -0.0002352800000000 ] - [ -0.4076204000000000, -0.0013485500000000, 0.0191111000000000 ] - [ 0.0066733500000000, 0.0037432600000000, -0.0029147800000000 ] - [ 0.0029161500000000, -0.0001415900000000, -0.0001215600000000 ] - [ 0.0029860900000000, -0.0000723300000000, -0.0000166200000000 ] - [ 0.0011207700000000, 0.0017820500000000, -0.0004054300000000 ] - [ 0.0028383200000000, 0.0000161000000000, 0.0000562200000000 ] - [ 0.0033289500000000, 0.0000988600000000, -0.0002339700000000 ] - [ 0.0042497600000000, -0.0024211400000000, 0.0005355500000000 ] - [ 0.0033730000000000, 0.0003604400000000, 0.0001287600000000 ] - [ 0.0030327100000000, -0.0001902800000000, -0.0001686000000000 ] - [ 0.0012628400000000, -0.0045898000000000, -0.0001614900000000 ] - [ -0.0042388000000000, 0.0017524100000000, -0.0001900400000000 ] - [ 0.0038108200000000, 0.0124064800000000, 0.0032694200000000 ] - [ 0.0039551000000000, 0.0014920200000000, 0.0000176400000000 ] - [ 0.0051835800000000, -0.0001550800000000, 0.0001091800000000 ] - [ 0.0049518600000000, -0.0011578000000000, -0.0003875800000000 ] - [ 0.0049406800000000, 0.0012159700000000, 0.0001389600000000 ] - [ 0.0055714300000000, 0.0000602300000000, 0.0002133900000000 ] - [ 0.0043322000000000, -0.0013595900000000, 0.0000914000000000 ] - [ 0.0001812700000000, -0.0102718600000000, 0.0010375500000000 ] - [ 0.0048067100000000, 0.0000407400000000, -0.0003237000000000 ] - [ 0.0052853700000000, -0.0000193400000000, -0.0000292800000000 ] - [ -0.0171541800000000, -0.0211401400000000, -0.0181380600000000 ] - [ -0.0152085700000000, 0.0375546000000000, 0.0047418000000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0025375200000000, 0.0009103200000000, 0.0000590900000000 ] - [ 0.0021081900000000, 0.0003133200000000, 0.0000023300000000 ] - [ 0.0027851100000000, -0.0019481100000000, -0.0018594800000000 ] - [ -0.0809394000000000, 0.0687466600000000, 0.0179028800000000 ] - [ 0.0027190500000000, 0.0001412800000000, -0.0003465200000000 ] - [ 0.0018533800000000, -0.0004709400000000, 0.0002542300000000 ] - [ -0.2171823600000000, -0.0249857500000000, 0.0369893900000000 ] - [ -0.0032646200000000, 0.0053645300000000, -0.0007301200000000 ] - [ -0.0474376000000000, -0.0129296400000000, 0.0179902700000000 ] - [ 0.0024313800000000, 0.0044729500000000, 0.0007697600000000 ] - [ 0.0024328100000000, -0.0003834300000000, 0.0000523000000000 ] - [ 0.0021665600000000, -0.0005573100000000, 0.0001322800000000 ] - [ -0.0745478900000000, -0.0277397900000000, -0.0567709600000000 ] - [ 0.0018099300000000, 0.0029949800000000, -0.0005077900000000 ] - [ 0.0024403200000000, -0.0004003600000000, 0.0004323800000000 ] - [ 0.0023290500000000, -0.0006532100000000, -0.0003682900000000 ] - [ 0.0041744600000000, -0.0000063100000000, -0.0011515100000000 ] - [ 0.0023556300000000, -0.0001505800000000, 0.0001307800000000 ] - [ 0.0026116900000000, 0.0004608500000000, -0.0001172000000000 ] - [ 0.0009549800000000, 0.0003161900000000, 0.0001917000000000 ] - [ 0.0025888900000000, -0.0000571100000000, 0.0002579100000000 ] - [ -0.0003244000000000, 0.0023555000000000, -0.0008741300000000 ] - [ 0.0024936100000000, -0.0000728000000000, -0.0000347700000000 ] - [ 0.0026935100000000, 0.0001546000000000, -0.0005721200000000 ] - [ 0.0014129000000000, 0.0017641900000000, 0.0005440600000000 ] - [ 0.0023271900000000, -0.0003576800000000, -0.0002515900000000 ] - [ 0.0022689700000000, 0.0001623400000000, -0.0002738400000000 ] - [ 0.0017718500000000, -0.0014406900000000, 0.0003166400000000 ] - [ 0.0016745300000000, 0.0006755300000000, -0.0001245500000000 ] - [ 0.0020722300000000, -0.0005745100000000, 0.0005137700000000 ] - [ 0.0029097200000000, 0.0001243600000000, -0.0003116600000000 ] - [ 0.0024812000000000, -0.0024874600000000, 0.0005777000000000 ] - [ -0.0070400400000000, 0.0003893300000000, -0.0001226500000000 ] - [ -0.0007970700000000, 0.0002799200000000, -0.0003040600000000 ] - [ 0.0023542000000000, -0.0004164800000000, -0.0000485200000000 ] - [ 0.0026657000000000, -0.0009773700000000, -0.0002501800000000 ] - [ -0.0078637000000000, -0.0003419000000000, 0.0006152200000000 ] - [ 0.0012643100000000, -0.0033264100000000, -0.0015468700000000 ] - [ 0.0021988100000000, 0.0002053200000000, 0.0002803000000000 ] - [ 0.0025704200000000, 0.0006328800000000, 0.0005494800000000 ] - [ -0.0078434900000000, 0.0008864800000000, -0.0004642500000000 ] - [ 0.0017538200000000, -0.0042932100000000, 0.0019671900000000 ] - [ 0.0025598600000000, 0.0000236300000000, 0.0001905300000000 ] - [ 0.0025648000000000, 0.0010598300000000, -0.0003844700000000 ] - [ -0.0030415900000000, 0.0009565900000000, 0.0004098400000000 ] - [ 0.0011337100000000, -0.0004213800000000, -0.0000103400000000 ] - [ 0.0027354100000000, 0.0004619100000000, -0.0001563800000000 ] - [ 0.0018903200000000, -0.0004731300000000, -0.0005856400000000 ] - [ 0.0051191100000000, 0.0011063900000000, 0.0001708200000000 ] - [ 0.0024100600000000, -0.0002581100000000, 0.0001906900000000 ] - [ -0.0017120100000000, 0.0000703500000000, 0.0001915900000000 ] - [ -0.0013132600000000, 0.0000351400000000, 0.0001795100000000 ] - [ -0.0159835700000000, 0.0003193400000000, -0.0000076100000000 ] - [ -0.0013594700000000, -0.0000091000000000, 0.0001532700000000 ] - [ -0.0015642600000000, 0.0001302700000000, 0.0002482900000000 ] - [ -0.0003567800000000, 0.0000423700000000, 0.0002078600000000 ] - [ -0.0014817900000000, -0.0003820200000000, -0.0000023700000000 ] - [ -0.0012226000000000, 0.0002332700000000, 0.0000675900000000 ] - [ -0.0068088600000000, 0.0003934200000000, -0.0002720700000000 ] - [ 0.0067408500000000, 0.0030149200000000, 0.0002901000000000 ] - [ 0.4216552900000000, 0.0060382700000000, -0.0251420300000000 ] - [ -0.0065174800000000, -0.0038206200000000, 0.0027060900000000 ] - [ -0.0031012900000000, 0.0000608300000000, -0.0000565200000000 ] - [ -0.0027923000000000, 0.0001541700000000, -0.0001599700000000 ] - [ -0.0012923000000000, -0.0018338800000000, 0.0002740800000000 ] - [ -0.0026702300000000, 0.0000586600000000, -0.0001786600000000 ] - [ -0.0034854400000000, -0.0000247500000000, 0.0001118900000000 ] - [ -0.0040709100000000, 0.0023152500000000, -0.0006498200000000 ] - [ -0.0033465700000000, 0.0001037200000000, -0.0002172000000000 ] - [ -0.0030428700000000, -0.0002703100000000, 0.0000785200000000 ] - [ -0.0012469800000000, 0.0041533900000000, 0.0000808300000000 ] - [ 0.0042018600000000, -0.0012996800000000, 0.0001036000000000 ] - [ -0.0037998300000000, -0.0123133500000000, -0.0033842500000000 ] - [ -0.0040329700000000, -0.0015227600000000, -0.0001285500000000 ] - [ -0.0050795000000000, 0.0001159900000000, -0.0002212900000000 ] - [ -0.0050373100000000, 0.0011795300000000, 0.0002740500000000 ] - [ -0.0059813700000000, -0.0010180100000000, 0.0001538500000000 ] - [ -0.0045062200000000, -0.0002405000000000, 0.0000777400000000 ] - [ -0.0053840900000000, 0.0011686400000000, 0.0001966200000000 ] - [ 0.0008032000000000, 0.0104183100000000, -0.0007561500000000 ] - [ -0.0053583000000000, -0.0001598100000000, -0.0000098000000000 ] - [ -0.0047161800000000, 0.0001390500000000, -0.0003028600000000 ] - [ 0.0167010100000000, 0.0213147200000000, 0.0178289300000000 ] - [ 0.0158194800000000, -0.0378010500000000, -0.0050589100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004045100000000, -0.0003705700000000, -0.0000121000000000 ] - [ -0.0003395600000000, -0.0003438900000000, 0.0000402400000000 ] - [ 0.0001992200000000, 0.0037664700000000, 0.0000201500000000 ] - [ -0.0703624400000000, 0.1826253200000000, 0.0329007900000000 ] - [ 0.0003101800000000, 0.0001913300000000, -0.0000033200000000 ] - [ -0.0004478900000000, -0.0005600200000000, -0.0001108400000000 ] - [ 0.0274759300000000, 0.0500663600000000, -0.0019018300000000 ] - [ -0.0046606100000000, 0.0064411400000000, -0.0041078100000000 ] - [ 0.0133771000000000, 0.1107977100000000, -0.0976645300000000 ] - [ -0.0028008600000000, 0.0003581100000000, 0.0010251200000000 ] - [ 0.0000159900000000, 0.0000322300000000, 0.0000665500000000 ] - [ 0.0001922400000000, -0.0004936500000000, 0.0003092100000000 ] - [ 0.0310188100000000, 0.0695434000000000, 0.0668927500000000 ] - [ -0.0028606900000000, 0.0002758400000000, -0.0008286600000000 ] - [ -0.0000737300000000, 0.0000650300000000, 0.0000393800000000 ] - [ 0.0004006300000000, -0.0006820100000000, -0.0002286800000000 ] - [ -0.0032704700000000, 0.0074524900000000, -0.0013196200000000 ] - [ -0.0008249300000000, 0.0004156500000000, -0.0000077100000000 ] - [ 0.0004329900000000, -0.0002467400000000, 0.0000360700000000 ] - [ -0.0001985000000000, -0.0045045500000000, -0.0003814700000000 ] - [ -0.0003479100000000, 0.0010096000000000, -0.0001982200000000 ] - [ -0.0041385400000000, -0.0103736100000000, -0.0021112300000000 ] - [ 0.0000089400000000, -0.0001250600000000, -0.0003367500000000 ] - [ 0.0011466900000000, 0.0027202900000000, 0.0001855500000000 ] - [ -0.0047360700000000, -0.0006793200000000, 0.0009835300000000 ] - [ -0.0001734100000000, -0.0003388100000000, -0.0004136500000000 ] - [ 0.0000689600000000, 0.0003008700000000, -0.0000433000000000 ] - [ 0.0046982900000000, 0.0000566500000000, -0.0013730100000000 ] - [ -0.0027199100000000, -0.0001835000000000, -0.0002073400000000 ] - [ -0.0003073200000000, -0.0003204200000000, 0.0001734200000000 ] - [ 0.0003078000000000, 0.0003388000000000, -0.0001221000000000 ] - [ 0.0056175600000000, 0.0005078400000000, 0.0036975600000000 ] - [ 0.0003430000000000, -0.0114187900000000, -0.0002442800000000 ] - [ -0.0012413800000000, -0.0053219700000000, -0.0001620900000000 ] - [ -0.0002095100000000, 0.0003363600000000, -0.0001587900000000 ] - [ 0.0002294100000000, 0.0002003200000000, -0.0001700600000000 ] - [ -0.0004752800000000, -0.0092854500000000, -0.0032231400000000 ] - [ 0.0033787600000000, -0.0019239600000000, 0.0020233200000000 ] - [ -0.0001875400000000, -0.0001503600000000, 0.0003692100000000 ] - [ -0.0001620400000000, 0.0004654400000000, 0.0005441400000000 ] - [ 0.0000143000000000, -0.0099573100000000, 0.0049166500000000 ] - [ 0.0042400600000000, -0.0022486600000000, -0.0014979200000000 ] - [ 0.0000142700000000, -0.0004408300000000, -0.0000564000000000 ] - [ -0.0004175600000000, 0.0007031200000000, -0.0002513800000000 ] - [ 0.0021316800000000, -0.0083107800000000, 0.0016369200000000 ] - [ 0.0005835600000000, -0.0013883100000000, -0.0000046800000000 ] - [ 0.0002761500000000, 0.0003183000000000, 0.0000794100000000 ] - [ -0.0000313900000000, -0.0012156800000000, -0.0001816400000000 ] - [ -0.0028863800000000, 0.0135899500000000, -0.0004231200000000 ] - [ 0.0002315300000000, 0.0018480500000000, 0.0001112100000000 ] - [ -0.0001612000000000, -0.0000174000000000, 0.0001862000000000 ] - [ 0.0001054700000000, -0.0001464100000000, 0.0001791400000000 ] - [ -0.0008698500000000, -0.0075471000000000, -0.0006871900000000 ] - [ 0.0005711700000000, -0.0001010100000000, 0.0002603900000000 ] - [ -0.0002856100000000, 0.0001650000000000, 0.0002138900000000 ] - [ 0.0003554000000000, 0.0014665200000000, 0.0001822200000000 ] - [ 0.0002544200000000, 0.0000322100000000, 0.0000444900000000 ] - [ 0.0002317100000000, 0.0003120800000000, 0.0000274400000000 ] - [ 0.0003060700000000, -0.0007587600000000, 0.0000716400000000 ] - [ -0.0018584600000000, -0.0051610600000000, 0.0003371000000000 ] - [ -0.0076147500000000, -0.4568199900000000, 0.0059765400000000 ] - [ 0.0038701800000000, -0.0021219500000000, 0.0005409100000000 ] - [ 0.0000056100000000, 0.0000519400000000, -0.0001085100000000 ] - [ 0.0002046900000000, 0.0009787600000000, 0.0000604700000000 ] - [ 0.0043401600000000, 0.0045370900000000, 0.0002122200000000 ] - [ 0.0000877400000000, 0.0005578900000000, -0.0000604200000000 ] - [ 0.0001055800000000, -0.0006321500000000, 0.0000001800000000 ] - [ -0.0023564400000000, -0.0077157300000000, -0.0011993700000000 ] - [ 0.0000568100000000, -0.0004333700000000, -0.0000545400000000 ] - [ 0.0000873000000000, -0.0003349600000000, -0.0000463300000000 ] - [ -0.0015627200000000, 0.0044863100000000, 0.0001818700000000 ] - [ -0.0017781900000000, 0.0146203300000000, 0.0000228700000000 ] - [ 0.0208831100000000, 0.0176815600000000, -0.0020033700000000 ] - [ 0.0019191100000000, 0.0020029900000000, -0.0002201900000000 ] - [ 0.0000347400000000, -0.0001449500000000, -0.0000293500000000 ] - [ -0.0031478500000000, 0.0007517400000000, -0.0002253800000000 ] - [ 0.0023623400000000, -0.0022124000000000, 0.0003121800000000 ] - [ 0.0008546900000000, -0.0000893800000000, 0.0001339000000000 ] - [ -0.0027361800000000, -0.0008479100000000, -0.0000359400000000 ] - [ -0.0126361800000000, 0.0285537700000000, -0.0025450900000000 ] - [ 0.0001440700000000, -0.0000122600000000, -0.0001889800000000 ] - [ 0.0001692300000000, 0.0001780700000000, -0.0001472500000000 ] - [ -0.0291727700000000, -0.0070357900000000, -0.0015104800000000 ] - [ 0.0347950200000000, 0.0322139200000000, 0.0018132400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009292900000000, 0.0008246300000000, 0.0000796700000000 ] - [ -0.0001817000000000, -0.0001123600000000, 0.0000278500000000 ] - [ 0.0003114500000000, -0.0042307900000000, 0.0000557100000000 ] - [ 0.0757797700000000, -0.1934577800000000, -0.0355848700000000 ] - [ 0.0005306200000000, 0.0004276100000000, -0.0000877700000000 ] - [ -0.0003907800000000, -0.0000574800000000, 0.0000212500000000 ] - [ -0.0257869000000000, -0.0503428200000000, 0.0016035500000000 ] - [ 0.0038615500000000, -0.0058615500000000, 0.0040487800000000 ] - [ -0.0125779700000000, -0.1085367200000000, 0.0930253500000000 ] - [ 0.0026288200000000, -0.0002731000000000, -0.0008553400000000 ] - [ 0.0001715300000000, 0.0000647500000000, 0.0001172600000000 ] - [ -0.0003719900000000, 0.0003945100000000, -0.0001235600000000 ] - [ -0.0302764000000000, -0.0697743900000000, -0.0653085800000000 ] - [ 0.0028989200000000, -0.0001270000000000, 0.0008792500000000 ] - [ 0.0000516800000000, 0.0000912000000000, 0.0000076500000000 ] - [ -0.0003670000000000, 0.0005216000000000, 0.0002693200000000 ] - [ 0.0038753600000000, -0.0075537700000000, 0.0013274800000000 ] - [ 0.0002380300000000, -0.0003246300000000, 0.0000162200000000 ] - [ 0.0001678400000000, 0.0003509200000000, -0.0000298800000000 ] - [ -0.0003957700000000, 0.0043954800000000, 0.0003850500000000 ] - [ -0.0003895800000000, -0.0014635800000000, 0.0003048500000000 ] - [ 0.0041731700000000, 0.0109229300000000, 0.0015132800000000 ] - [ 0.0001108500000000, -0.0004581700000000, -0.0002644600000000 ] - [ -0.0012589700000000, -0.0021402200000000, -0.0007890000000000 ] - [ 0.0044779600000000, 0.0008414800000000, -0.0014920800000000 ] - [ 0.0004400200000000, 0.0001801600000000, -0.0000833800000000 ] - [ -0.0003297300000000, -0.0004591300000000, -0.0004564700000000 ] - [ -0.0044252100000000, 0.0000985200000000, 0.0008717400000000 ] - [ 0.0030477800000000, 0.0005140700000000, 0.0004002400000000 ] - [ -0.0000175700000000, -0.0000035700000000, 0.0000112300000000 ] - [ 0.0000233800000000, -0.0006590500000000, 0.0003057600000000 ] - [ -0.0059582400000000, -0.0001873000000000, -0.0035238100000000 ] - [ -0.0005729500000000, 0.0109994700000000, -0.0000870400000000 ] - [ 0.0014694500000000, 0.0057628200000000, -0.0001506500000000 ] - [ 0.0000048600000000, 0.0000851400000000, -0.0001542200000000 ] - [ -0.0000130300000000, -0.0006287700000000, -0.0001434800000000 ] - [ 0.0001631700000000, 0.0096332500000000, 0.0040142800000000 ] - [ -0.0030957100000000, 0.0015924000000000, -0.0012416700000000 ] - [ -0.0000881600000000, -0.0001960800000000, 0.0004171500000000 ] - [ 0.0004433700000000, -0.0001204100000000, 0.0002375200000000 ] - [ 0.0000812300000000, 0.0109182300000000, -0.0051013400000000 ] - [ -0.0043622800000000, 0.0013443700000000, 0.0013437300000000 ] - [ 0.0001139800000000, -0.0004756300000000, -0.0001058000000000 ] - [ 0.0002953400000000, 0.0002116100000000, 0.0000931700000000 ] - [ -0.0014103300000000, 0.0078670500000000, -0.0015273300000000 ] - [ -0.0013193100000000, 0.0018463400000000, 0.0001121600000000 ] - [ 0.0004800300000000, 0.0001383300000000, 0.0000242500000000 ] - [ -0.0000768700000000, 0.0006342500000000, -0.0004216500000000 ] - [ 0.0024293100000000, -0.0134914800000000, 0.0007716100000000 ] - [ 0.0001888300000000, -0.0017814000000000, 0.0002586500000000 ] - [ -0.0002665500000000, 0.0000865800000000, 0.0001838500000000 ] - [ 0.0003159300000000, 0.0000794500000000, 0.0001899400000000 ] - [ 0.0004125500000000, 0.0073643700000000, 0.0010965900000000 ] - [ -0.0001596600000000, 0.0002986500000000, 0.0001491800000000 ] - [ -0.0001301600000000, 0.0000312300000000, 0.0001962200000000 ] - [ 0.0000589900000000, -0.0016629000000000, 0.0002276400000000 ] - [ -0.0006401600000000, -0.0005685500000000, 0.0000135100000000 ] - [ 0.0001527500000000, 0.0002249500000000, 0.0000302600000000 ] - [ -0.0006997200000000, 0.0012961600000000, -0.0000163200000000 ] - [ 0.0022708600000000, 0.0046454700000000, -0.0002621100000000 ] - [ -0.0003930600000000, 0.4659912100000000, 0.0001316600000000 ] - [ -0.0036914100000000, 0.0020613400000000, -0.0007236300000000 ] - [ -0.0001995000000000, -0.0001337100000000, -0.0000725800000000 ] - [ -0.0000206600000000, -0.0008961800000000, -0.0002413400000000 ] - [ -0.0044567000000000, -0.0046217900000000, -0.0003211700000000 ] - [ 0.0000670100000000, -0.0004825700000000, -0.0000609600000000 ] - [ -0.0002694100000000, 0.0007087700000000, -0.0001209800000000 ] - [ 0.0025105700000000, 0.0076504200000000, 0.0010882100000000 ] - [ -0.0000456900000000, 0.0008966800000000, -0.0000312100000000 ] - [ -0.0001092200000000, -0.0001263800000000, -0.0000392000000000 ] - [ 0.0015639500000000, -0.0049610300000000, -0.0002681700000000 ] - [ 0.0017994000000000, -0.0141616100000000, -0.0000974400000000 ] - [ -0.0207544400000000, -0.0176943400000000, 0.0018790800000000 ] - [ -0.0020240400000000, -0.0020350700000000, 0.0001068000000000 ] - [ 0.0000509900000000, 0.0001082500000000, -0.0000846200000000 ] - [ 0.0030484200000000, -0.0007127300000000, 0.0001102900000000 ] - [ -0.0034279200000000, 0.0023946300000000, -0.0000242100000000 ] - [ 0.0001935400000000, -0.0000923000000000, 0.0001546000000000 ] - [ 0.0016780000000000, 0.0006554800000000, 0.0003242200000000 ] - [ 0.0137563300000000, -0.0283752300000000, 0.0028060500000000 ] - [ -0.0007135900000000, -0.0001106100000000, -0.0001421700000000 ] - [ 0.0003849600000000, -0.0000545600000000, -0.0001839200000000 ] - [ 0.0286608500000000, 0.0070302000000000, 0.0012114000000000 ] - [ -0.0346443700000000, -0.0327782200000000, -0.0022210700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002226900000000, 0.0001386500000000, 0.0000126300000000 ] - [ -0.0002408400000000, -0.0002384300000000, 0.0000391800000000 ] - [ -0.0001236000000000, 0.0006017300000000, -0.0000774000000000 ] - [ -0.0177435700000000, 0.0316577600000000, 0.0433016800000000 ] - [ 0.0004425600000000, 0.0002898700000000, -0.0000402500000000 ] - [ -0.0003694000000000, -0.0003606200000000, -0.0000433500000000 ] - [ -0.0363310300000000, -0.0030847500000000, 0.0421319100000000 ] - [ -0.0049727600000000, -0.0010162000000000, -0.0042188400000000 ] - [ -0.0146699900000000, -0.0927924600000000, 0.1451802200000000 ] - [ -0.0009366000000000, 0.0002535200000000, -0.0008439100000000 ] - [ 0.0001172800000000, 0.0000398500000000, 0.0000927900000000 ] - [ 0.0000204100000000, -0.0001030100000000, 0.0001197100000000 ] - [ 0.0617380200000000, 0.0598287400000000, 0.1529901500000000 ] - [ -0.0004434100000000, 0.0006990200000000, 0.0006540900000000 ] - [ 0.0000156300000000, 0.0000653800000000, 0.0000335200000000 ] - [ 0.0001373700000000, -0.0001308300000000, -0.0000093200000000 ] - [ 0.0002835700000000, 0.0002228500000000, -0.0039311100000000 ] - [ -0.0001951600000000, 0.0001413200000000, 0.0000093400000000 ] - [ 0.0003003100000000, 0.0000337500000000, 0.0000060800000000 ] - [ 0.0007711800000000, -0.0004884500000000, 0.0003549100000000 ] - [ -0.0005363500000000, -0.0000609400000000, 0.0000019300000000 ] - [ 0.0022262900000000, -0.0001353400000000, 0.0008590000000000 ] - [ 0.0001015200000000, -0.0002885700000000, -0.0003073500000000 ] - [ 0.0002855500000000, 0.0004172200000000, -0.0003409600000000 ] - [ -0.0008385400000000, -0.0018388900000000, -0.0012100600000000 ] - [ 0.0001255000000000, -0.0000603000000000, -0.0002687600000000 ] - [ -0.0000951800000000, -0.0001412200000000, -0.0003058200000000 ] - [ 0.0008233000000000, 0.0002969600000000, -0.0006381800000000 ] - [ -0.0002439000000000, -0.0000113900000000, -0.0003730700000000 ] - [ -0.0001604200000000, -0.0001561300000000, 0.0001015500000000 ] - [ 0.0002595600000000, -0.0002084400000000, 0.0001322500000000 ] - [ 0.0001303800000000, 0.0012411000000000, 0.0009546400000000 ] - [ 0.0006013400000000, -0.0024128300000000, -0.0062758000000000 ] - [ -0.0000626800000000, 0.0002858200000000, -0.0001494400000000 ] - [ -0.0000714600000000, 0.0001984100000000, -0.0001543600000000 ] - [ 0.0001216700000000, -0.0001315400000000, -0.0001636300000000 ] - [ -0.0007503100000000, -0.0002252200000000, -0.0001097900000000 ] - [ 0.0000855800000000, -0.0002270200000000, -0.0001832400000000 ] - [ -0.0000982900000000, -0.0001445700000000, 0.0003675100000000 ] - [ 0.0001201100000000, 0.0001917100000000, 0.0003697000000000 ] - [ -0.0008005900000000, -0.0001514600000000, 0.0009526800000000 ] - [ -0.0014298900000000, -0.0017819700000000, -0.0014544900000000 ] - [ 0.0001036300000000, -0.0004401400000000, -0.0000743500000000 ] - [ -0.0000868200000000, 0.0004637100000000, -0.0000847700000000 ] - [ 0.0002358400000000, -0.0003409500000000, 0.0003453200000000 ] - [ -0.0004875600000000, 0.0002194400000000, 0.0001205900000000 ] - [ 0.0004329200000000, 0.0002451200000000, 0.0000462200000000 ] - [ -0.0000294400000000, -0.0002899400000000, -0.0003071500000000 ] - [ 0.0001158600000000, -0.0016080900000000, -0.0037557000000000 ] - [ 0.0003894700000000, 0.0001125000000000, 0.0002297700000000 ] - [ -0.0002237900000000, 0.0000298500000000, 0.0001848100000000 ] - [ 0.0001668200000000, -0.0000589100000000, 0.0001829500000000 ] - [ 0.0004539900000000, -0.0010424100000000, -0.0045234900000000 ] - [ 0.0001622200000000, 0.0000678200000000, 0.0002062300000000 ] - [ -0.0002091000000000, 0.0001105800000000, 0.0002041600000000 ] - [ 0.0001065100000000, 0.0000545800000000, 0.0002449000000000 ] - [ -0.0001936700000000, -0.0001903600000000, 0.0000177000000000 ] - [ 0.0001863400000000, 0.0002687700000000, 0.0000283100000000 ] - [ -0.0010100000000000, 0.0003850600000000, -0.0000696100000000 ] - [ -0.0001158700000000, -0.0009693200000000, 0.0162746700000000 ] - [ 0.0191086700000000, -0.0035294800000000, -0.4452944000000000 ] - [ 0.0028310500000000, -0.0006727600000000, 0.0002681800000000 ] - [ -0.0001204300000000, -0.0000192300000000, -0.0000895800000000 ] - [ 0.0000096200000000, 0.0001868500000000, -0.0000807500000000 ] - [ -0.0007185700000000, 0.0017553800000000, -0.0010835300000000 ] - [ 0.0000671100000000, 0.0000359500000000, -0.0000574300000000 ] - [ -0.0002338000000000, 0.0000612400000000, -0.0000326700000000 ] - [ 0.0004384600000000, -0.0007512200000000, 0.0005984600000000 ] - [ 0.0000364300000000, 0.0001685100000000, -0.0000355600000000 ] - [ -0.0000381100000000, -0.0002526200000000, -0.0000419200000000 ] - [ 0.0004957700000000, 0.0000259800000000, -0.0009110500000000 ] - [ 0.0001311000000000, 0.0011624500000000, 0.0000066800000000 ] - [ -0.0034735800000000, 0.0042559500000000, 0.0307943600000000 ] - [ -0.0000027500000000, -0.0002330100000000, -0.0000303900000000 ] - [ -0.0000117600000000, 0.0000094700000000, -0.0000662600000000 ] - [ -0.0004412900000000, -0.0002499400000000, -0.0001741100000000 ] - [ -0.0001948800000000, -0.0002278900000000, 0.0003517400000000 ] - [ 0.0004805300000000, -0.0001395100000000, 0.0001445000000000 ] - [ -0.0006443200000000, 0.0001679100000000, 0.0003651600000000 ] - [ -0.0017959700000000, 0.0032553900000000, -0.0002677500000000 ] - [ -0.0003088600000000, -0.0000257700000000, -0.0001710400000000 ] - [ 0.0001580100000000, 0.0000458500000000, -0.0001655200000000 ] - [ -0.0102637000000000, 0.0079069700000000, 0.0464282800000000 ] - [ 0.0066781100000000, -0.0003668700000000, -0.0072922500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003198000000000, 0.0003329600000000, 0.0000598900000000 ] - [ -0.0002900900000000, -0.0002311700000000, 0.0000333600000000 ] - [ 0.0006858000000000, -0.0010914700000000, 0.0001642400000000 ] - [ 0.0169802100000000, -0.0305088600000000, -0.0426948500000000 ] - [ 0.0003941400000000, 0.0003339800000000, -0.0000460400000000 ] - [ -0.0004594000000000, -0.0002624500000000, -0.0000406300000000 ] - [ 0.0375186200000000, 0.0025950700000000, -0.0426370300000000 ] - [ 0.0043108100000000, 0.0017098500000000, 0.0041626100000000 ] - [ 0.0160058800000000, 0.0995807600000000, -0.1522946500000000 ] - [ 0.0007785600000000, -0.0001369000000000, 0.0010688200000000 ] - [ 0.0000687700000000, 0.0000635300000000, 0.0000971400000000 ] - [ -0.0001954000000000, -0.0000013000000000, 0.0000713900000000 ] - [ -0.0572684200000000, -0.0550737800000000, -0.1445912600000000 ] - [ 0.0005029100000000, -0.0005203300000000, -0.0006354800000000 ] - [ -0.0000404400000000, 0.0000964600000000, 0.0000128900000000 ] - [ -0.0000996600000000, -0.0000321100000000, 0.0000527600000000 ] - [ 0.0002936300000000, -0.0003384400000000, 0.0039356900000000 ] - [ -0.0003965000000000, -0.0000456200000000, -0.0000035400000000 ] - [ 0.0003058200000000, 0.0000688000000000, -0.0000020600000000 ] - [ -0.0013637300000000, 0.0003950300000000, -0.0003491900000000 ] - [ -0.0002200000000000, -0.0003987900000000, 0.0001018900000000 ] - [ -0.0021474000000000, 0.0007237100000000, -0.0014497400000000 ] - [ 0.0000120900000000, -0.0002995200000000, -0.0002990400000000 ] - [ -0.0003964200000000, 0.0001711000000000, -0.0002649100000000 ] - [ 0.0005948500000000, 0.0019900600000000, 0.0006946600000000 ] - [ 0.0001450800000000, -0.0001003600000000, -0.0002300200000000 ] - [ -0.0001652600000000, -0.0000200300000000, -0.0001948700000000 ] - [ -0.0005556800000000, -0.0001314700000000, 0.0001321900000000 ] - [ 0.0005933000000000, 0.0003392200000000, 0.0005726000000000 ] - [ -0.0001574700000000, -0.0001727300000000, 0.0000894200000000 ] - [ 0.0000682300000000, -0.0001201200000000, 0.0000568000000000 ] - [ -0.0004565000000000, -0.0009066000000000, -0.0007528700000000 ] - [ -0.0008459700000000, 0.0020186300000000, 0.0059356900000000 ] - [ 0.0002573900000000, 0.0001162400000000, -0.0001620500000000 ] - [ -0.0001264300000000, 0.0002046000000000, -0.0001575200000000 ] - [ 0.0000888300000000, -0.0002765400000000, -0.0001487600000000 ] - [ 0.0004597500000000, 0.0005710400000000, 0.0008630500000000 ] - [ 0.0001888900000000, -0.0001059400000000, 0.0009624400000000 ] - [ -0.0001725600000000, -0.0001859600000000, 0.0003962900000000 ] - [ 0.0001609000000000, 0.0001386000000000, 0.0003929700000000 ] - [ 0.0009013700000000, 0.0010884500000000, -0.0011098200000000 ] - [ 0.0013091100000000, 0.0008568600000000, 0.0012730900000000 ] - [ 0.0000255800000000, -0.0004740700000000, -0.0000894000000000 ] - [ -0.0000318800000000, 0.0004502600000000, -0.0000779500000000 ] - [ 0.0005078800000000, -0.0000922100000000, -0.0002442300000000 ] - [ -0.0002713000000000, 0.0002389300000000, -0.0000169700000000 ] - [ 0.0003380000000000, 0.0002139100000000, 0.0000562000000000 ] - [ -0.0000737300000000, -0.0002954600000000, -0.0003009400000000 ] - [ -0.0005331400000000, 0.0015313100000000, 0.0041290700000000 ] - [ 0.0000342500000000, -0.0000521800000000, 0.0001390000000000 ] - [ -0.0001980700000000, 0.0000385600000000, 0.0001845800000000 ] - [ 0.0002504500000000, -0.0000077900000000, 0.0001866200000000 ] - [ -0.0009036300000000, 0.0008489100000000, 0.0049227100000000 ] - [ 0.0002442800000000, 0.0001276200000000, 0.0002035000000000 ] - [ -0.0002067800000000, 0.0000837200000000, 0.0002052300000000 ] - [ 0.0003005000000000, -0.0002546800000000, 0.0001653000000000 ] - [ -0.0002019000000000, -0.0003473200000000, 0.0000390000000000 ] - [ 0.0002052800000000, 0.0002682000000000, 0.0000283000000000 ] - [ 0.0006134700000000, 0.0001595000000000, 0.0001291900000000 ] - [ 0.0006110500000000, 0.0002421600000000, -0.0162252900000000 ] - [ -0.0249977300000000, -0.0094127700000000, 0.4437225600000000 ] - [ -0.0027832400000000, 0.0005889500000000, -0.0004724600000000 ] - [ -0.0000640200000000, -0.0000582200000000, -0.0000881800000000 ] - [ 0.0001599500000000, -0.0001108400000000, -0.0000965800000000 ] - [ 0.0005688600000000, -0.0018447900000000, 0.0009594700000000 ] - [ 0.0000784200000000, 0.0000388700000000, -0.0000633200000000 ] - [ 0.0000748500000000, 0.0000175900000000, -0.0000873200000000 ] - [ -0.0002734500000000, 0.0006562000000000, -0.0007157700000000 ] - [ -0.0000458000000000, 0.0002970100000000, -0.0000539700000000 ] - [ 0.0000331200000000, -0.0002094500000000, -0.0000466800000000 ] - [ -0.0004906400000000, -0.0004864500000000, 0.0008284400000000 ] - [ -0.0000992800000000, -0.0007247900000000, -0.0000975300000000 ] - [ 0.0036124800000000, -0.0041218700000000, -0.0308814500000000 ] - [ -0.0001245500000000, 0.0001852000000000, -0.0000819300000000 ] - [ 0.0001179400000000, -0.0000476200000000, -0.0000473600000000 ] - [ 0.0003166800000000, 0.0002834300000000, 0.0000602400000000 ] - [ -0.0008994900000000, 0.0004294600000000, -0.0000561900000000 ] - [ 0.0005881900000000, -0.0000440300000000, 0.0001496000000000 ] - [ -0.0004416700000000, -0.0003454800000000, -0.0000712700000000 ] - [ 0.0028911400000000, -0.0030812400000000, 0.0005621500000000 ] - [ -0.0002641500000000, -0.0000879700000000, -0.0001619000000000 ] - [ 0.0003910800000000, 0.0000675900000000, -0.0001678000000000 ] - [ 0.0093774700000000, -0.0074366000000000, -0.0466209100000000 ] - [ -0.0060238300000000, 0.0003339800000000, 0.0070287000000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0037063500000000, 0.0001318000000000, -0.0009665300000000 ] - [ -0.0028056700000000, -0.0008874500000000, 0.0000990500000000 ] - [ -0.0020278500000000, 0.0001884400000000, -0.0000001500000000 ] - [ 0.0006798100000000, 0.0001920700000000, -0.0003094000000000 ] - [ -0.0025798400000000, 0.0004702000000000, 0.0002595100000000 ] - [ -0.0031620600000000, -0.0005066000000000, -0.0003900300000000 ] - [ -0.0009747100000000, -0.0008445600000000, 0.0000534200000000 ] - [ -0.0023377900000000, 0.0001232400000000, -0.0002889300000000 ] - [ -0.0018853000000000, -0.0036036700000000, -0.0022991900000000 ] - [ -0.0023254700000000, -0.0002753300000000, 0.0000796300000000 ] - [ -0.0023197100000000, 0.0005740800000000, 0.0001745400000000 ] - [ -0.0017858400000000, -0.0016256700000000, 0.0006138500000000 ] - [ -0.0007732500000000, -0.0038016600000000, 0.0018568900000000 ] - [ -0.0022767800000000, -0.0002813800000000, 0.0004233300000000 ] - [ -0.0026413500000000, 0.0006231000000000, -0.0004290800000000 ] - [ -0.0024444900000000, -0.0025514000000000, 0.0004676300000000 ] - [ 0.0072439700000000, 0.0008728600000000, -0.0002154200000000 ] - [ -0.0027328700000000, 0.0006165500000000, -0.0001113600000000 ] - [ -0.0022149100000000, -0.0005168200000000, 0.0001240000000000 ] - [ 0.0744396000000000, 0.0606585900000000, 0.0189743900000000 ] - [ 0.0000301700000000, 0.0023351300000000, 0.0000459900000000 ] - [ 0.2056410400000000, -0.0170009100000000, 0.0348249700000000 ] - [ -0.0022858900000000, -0.0004491700000000, -0.0005838100000000 ] - [ 0.0038461900000000, 0.0015297200000000, -0.0008055700000000 ] - [ 0.0499304700000000, -0.0173933600000000, 0.0208367700000000 ] - [ -0.0022005700000000, 0.0003159200000000, -0.0002229500000000 ] - [ -0.0024782800000000, -0.0004771300000000, -0.0002698200000000 ] - [ 0.0074475400000000, 0.0001086100000000, 0.0003120800000000 ] - [ 0.0747596500000000, -0.0249056400000000, -0.0630649500000000 ] - [ -0.0026451700000000, 0.0003279500000000, -0.0003530600000000 ] - [ -0.0022947200000000, -0.0006846400000000, 0.0005298600000000 ] - [ 0.0085709500000000, 0.0010183300000000, 0.0024930900000000 ] - [ -0.0020529800000000, -0.0017481300000000, -0.0000557600000000 ] - [ -0.0026575700000000, -0.0000623100000000, -0.0000017200000000 ] - [ -0.0024503300000000, 0.0010005900000000, -0.0002606000000000 ] - [ -0.0012818800000000, 0.0002284000000000, -0.0000830900000000 ] - [ -0.0034054900000000, 0.0046137600000000, 0.0007040900000000 ] - [ -0.0023923100000000, 0.0000722700000000, 0.0003204600000000 ] - [ -0.0023999800000000, -0.0006474300000000, 0.0004847300000000 ] - [ -0.0015694600000000, 0.0012405500000000, 0.0004246900000000 ] - [ -0.0013353300000000, 0.0033479300000000, -0.0009589100000000 ] - [ -0.0027362400000000, -0.0002026100000000, 0.0000907700000000 ] - [ -0.0023844000000000, -0.0010564900000000, -0.0003534600000000 ] - [ -0.0013843800000000, 0.0015674600000000, 0.0005154100000000 ] - [ 0.0034710500000000, 0.0049241900000000, 0.0003114200000000 ] - [ -0.0028167500000000, 0.0004441800000000, -0.0001697800000000 ] - [ -0.0019220200000000, 0.0000417200000000, 0.0002499100000000 ] - [ -0.0024502900000000, -0.0000792300000000, -0.0000228000000000 ] - [ 0.0063703800000000, -0.0000000500000000, 0.0003816000000000 ] - [ 0.0018252600000000, -0.0000575900000000, 0.0002249800000000 ] - [ 0.0011144700000000, -0.0000735800000000, 0.0001775700000000 ] - [ 0.0007868300000000, 0.0000255800000000, 0.0001620500000000 ] - [ -0.0058603300000000, 0.0012929300000000, 0.0002998700000000 ] - [ 0.0016381200000000, 0.0000708400000000, 0.0002538400000000 ] - [ 0.0012898000000000, 0.0001254400000000, 0.0001501800000000 ] - [ -0.0063379600000000, 0.0033330200000000, 0.0001502600000000 ] - [ 0.0152959500000000, 0.0001527200000000, 0.0001039400000000 ] - [ 0.0017140500000000, 0.0003405700000000, -0.0000122100000000 ] - [ 0.0011787500000000, 0.0002927100000000, 0.0000603400000000 ] - [ -0.0019064300000000, -0.0006417300000000, 0.0000554100000000 ] - [ 0.0011130300000000, 0.0044295200000000, -0.0007404300000000 ] - [ 0.0028510900000000, -0.0000308400000000, -0.0000886900000000 ] - [ 0.0033184500000000, -0.0002290800000000, -0.0002505900000000 ] - [ 0.0042616400000000, 0.0024914200000000, -0.0004540300000000 ] - [ -0.4062875300000000, 0.0094948100000000, -0.0159585100000000 ] - [ 0.0032153700000000, -0.0000398300000000, 0.0000026200000000 ] - [ 0.0029939900000000, 0.0001204600000000, -0.0001329300000000 ] - [ -0.0049587300000000, -0.0014239700000000, -0.0004589300000000 ] - [ 0.0009880700000000, -0.0015636800000000, -0.0001253900000000 ] - [ 0.0029068100000000, -0.0001757900000000, -0.0001508100000000 ] - [ 0.0033927900000000, -0.0001609800000000, 0.0000933900000000 ] - [ 0.0062986200000000, -0.0034733600000000, 0.0020141700000000 ] - [ -0.0182764800000000, 0.0197536800000000, 0.0113819900000000 ] - [ 0.0050214200000000, -0.0001909700000000, -0.0002041900000000 ] - [ 0.0051469100000000, -0.0001335000000000, 0.0001025600000000 ] - [ -0.0002361600000000, 0.0103709700000000, -0.0003222800000000 ] - [ 0.0040660200000000, -0.0130868900000000, -0.0048421600000000 ] - [ 0.0056067500000000, -0.0000531900000000, 0.0002208800000000 ] - [ 0.0046957300000000, 0.0000534900000000, 0.0000819200000000 ] - [ -0.0147915600000000, -0.0386570600000000, -0.0049375700000000 ] - [ 0.0052825600000000, -0.0011501300000000, -0.0001677400000000 ] - [ 0.0053637900000000, 0.0011388200000000, 0.0001860000000000 ] - [ 0.0045867500000000, 0.0013863200000000, 0.0000392700000000 ] - [ 0.0044096200000000, -0.0016971300000000, -0.0003504500000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0042204200000000, 0.0003325300000000, 0.0010205600000000 ] - [ 0.0022698900000000, 0.0004181800000000, -0.0000274100000000 ] - [ 0.0025535100000000, -0.0006521200000000, 0.0000702800000000 ] - [ -0.0012161300000000, 0.0002801400000000, 0.0003836800000000 ] - [ 0.0033941200000000, 0.0001524100000000, -0.0003458000000000 ] - [ 0.0023201600000000, -0.0001196300000000, 0.0003026400000000 ] - [ 0.0018086900000000, 0.0002245100000000, -0.0001382800000000 ] - [ 0.0015050300000000, 0.0005011000000000, 0.0002017600000000 ] - [ 0.0020655400000000, 0.0035070700000000, 0.0024953300000000 ] - [ 0.0021403500000000, 0.0003777700000000, 0.0001086800000000 ] - [ 0.0024962700000000, -0.0004666900000000, 0.0000171200000000 ] - [ 0.0016108400000000, 0.0015008300000000, -0.0004170100000000 ] - [ 0.0007436200000000, 0.0036535400000000, -0.0018241900000000 ] - [ 0.0022987900000000, 0.0004417900000000, -0.0003747800000000 ] - [ 0.0026092500000000, -0.0004601300000000, 0.0004746900000000 ] - [ 0.0024738200000000, 0.0023585600000000, -0.0004222900000000 ] - [ -0.0066481100000000, -0.0009834000000000, 0.0002290300000000 ] - [ 0.0021367600000000, -0.0005241800000000, 0.0001193700000000 ] - [ 0.0028048100000000, 0.0006109400000000, -0.0001166600000000 ] - [ -0.0751279200000000, -0.0592429000000000, -0.0186496100000000 ] - [ -0.0007797800000000, -0.0027794900000000, 0.0000591000000000 ] - [ -0.2194181000000000, 0.0196588900000000, -0.0394142400000000 ] - [ 0.0023872700000000, -0.0001368900000000, -0.0000235300000000 ] - [ -0.0039368600000000, -0.0009462000000000, 0.0001987200000000 ] - [ -0.0507046800000000, 0.0182140600000000, -0.0221475900000000 ] - [ 0.0024586300000000, -0.0004722500000000, -0.0002736600000000 ] - [ 0.0022105100000000, 0.0003202200000000, -0.0002272500000000 ] - [ -0.0071820000000000, 0.0000525200000000, -0.0008118200000000 ] - [ -0.0746943300000000, 0.0246964600000000, 0.0618859800000000 ] - [ 0.0023120400000000, -0.0006525600000000, 0.0005360400000000 ] - [ 0.0026187500000000, 0.0003597300000000, -0.0003464700000000 ] - [ -0.0089082700000000, -0.0006853200000000, -0.0023118000000000 ] - [ 0.0018347200000000, 0.0013408400000000, -0.0002762800000000 ] - [ 0.0028590400000000, 0.0004687800000000, -0.0003099300000000 ] - [ 0.0022431100000000, -0.0005943000000000, -0.0000514700000000 ] - [ 0.0015051000000000, -0.0006343300000000, -0.0002314400000000 ] - [ 0.0031178600000000, -0.0042600700000000, 0.0000418900000000 ] - [ 0.0026664100000000, -0.0004067500000000, 0.0004468900000000 ] - [ 0.0021206000000000, 0.0003125000000000, 0.0002783700000000 ] - [ 0.0018561400000000, -0.0008925700000000, 0.0003290700000000 ] - [ 0.0014546700000000, -0.0024352600000000, 0.0008022600000000 ] - [ 0.0026131400000000, -0.0007180100000000, -0.0002568100000000 ] - [ 0.0025031800000000, 0.0001391000000000, 0.0001927000000000 ] - [ 0.0012708200000000, -0.0006359400000000, -0.0006692300000000 ] - [ -0.0026848900000000, -0.0053997200000000, -0.0002687400000000 ] - [ 0.0020468300000000, 0.0000121500000000, 0.0002737900000000 ] - [ 0.0026916000000000, 0.0004150400000000, -0.0001471500000000 ] - [ 0.0023439900000000, -0.0005059200000000, -0.0005838200000000 ] - [ -0.0068318700000000, -0.0000592800000000, -0.0000275900000000 ] - [ -0.0014016300000000, 0.0001261800000000, 0.0001456400000000 ] - [ -0.0015361700000000, 0.0001418400000000, 0.0001933400000000 ] - [ -0.0003718600000000, -0.0000923200000000, 0.0002077900000000 ] - [ 0.0054600600000000, -0.0014631200000000, 0.0001043700000000 ] - [ -0.0012258800000000, 0.0001253400000000, 0.0001566600000000 ] - [ -0.0016998500000000, 0.0000690800000000, 0.0002590300000000 ] - [ 0.0067022000000000, -0.0035377900000000, 0.0002621100000000 ] - [ -0.0153927300000000, -0.0006795200000000, -0.0000497200000000 ] - [ -0.0013208700000000, 0.0001987100000000, 0.0000699700000000 ] - [ -0.0015664200000000, 0.0002443000000000, -0.0000024700000000 ] - [ 0.0023027600000000, 0.0001028900000000, 0.0000033100000000 ] - [ -0.0012900500000000, -0.0043699900000000, 0.0005562100000000 ] - [ -0.0026697200000000, -0.0000481400000000, -0.0000890800000000 ] - [ -0.0034861000000000, 0.0001493400000000, 0.0000697700000000 ] - [ -0.0040704700000000, -0.0023804600000000, 0.0002698200000000 ] - [ 0.4206492100000000, -0.0133725000000000, 0.0217859400000000 ] - [ -0.0030571500000000, 0.0001169600000000, -0.0001223600000000 ] - [ -0.0031406600000000, -0.0000435600000000, 0.0000134400000000 ] - [ 0.0050936900000000, 0.0013552500000000, 0.0003392700000000 ] - [ -0.0010033000000000, 0.0020071700000000, 0.0000365800000000 ] - [ -0.0029025700000000, -0.0002860100000000, 0.0000630900000000 ] - [ -0.0033897400000000, -0.0002994500000000, -0.0001809100000000 ] - [ -0.0063402100000000, 0.0039382900000000, -0.0020741900000000 ] - [ 0.0184969100000000, -0.0197760800000000, -0.0114788500000000 ] - [ -0.0051281400000000, 0.0001536400000000, 0.0000904700000000 ] - [ -0.0050215300000000, 0.0000933100000000, -0.0002157400000000 ] - [ 0.0000554700000000, -0.0103020600000000, 0.0002198300000000 ] - [ -0.0052207500000000, 0.0132148900000000, 0.0051341600000000 ] - [ -0.0045184000000000, -0.0001303400000000, 0.0000727800000000 ] - [ -0.0057666200000000, -0.0002393500000000, 0.0002115200000000 ] - [ 0.0159330600000000, 0.0389749900000000, 0.0052120500000000 ] - [ -0.0058316200000000, 0.0010186600000000, -0.0001644800000000 ] - [ -0.0047949600000000, -0.0010067700000000, -0.0005166400000000 ] - [ -0.0051449000000000, -0.0012648200000000, -0.0003704300000000 ] - [ -0.0038344000000000, 0.0015757200000000, 0.0000145800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037710200000000, 0.0075076200000000, -0.0014113200000000 ] - [ -0.0004174700000000, 0.0002017600000000, -0.0000171800000000 ] - [ 0.0001363700000000, -0.0005304600000000, 0.0000791400000000 ] - [ 0.0009602200000000, -0.0050462900000000, -0.0001638300000000 ] - [ 0.0004214600000000, 0.0015757200000000, -0.0003444200000000 ] - [ -0.0014456400000000, 0.0021811900000000, 0.0004042300000000 ] - [ -0.0007074000000000, -0.0019460600000000, -0.0003445500000000 ] - [ -0.0004390100000000, -0.0005880200000000, 0.0001456600000000 ] - [ -0.0028779500000000, -0.0013520400000000, 0.0019900800000000 ] - [ 0.0002041600000000, -0.0002029200000000, -0.0000512100000000 ] - [ 0.0005086300000000, 0.0003654300000000, 0.0002896700000000 ] - [ -0.0046186000000000, 0.0001184100000000, -0.0010964500000000 ] - [ -0.0045950600000000, -0.0024340200000000, -0.0012767400000000 ] - [ 0.0001846700000000, -0.0000951200000000, 0.0001171700000000 ] - [ 0.0002264500000000, 0.0002942200000000, -0.0001076300000000 ] - [ -0.0054529100000000, 0.0003738900000000, 0.0034348900000000 ] - [ -0.0000317200000000, -0.0113588800000000, -0.0005961200000000 ] - [ -0.0002280600000000, -0.0000699900000000, 0.0000105500000000 ] - [ 0.0003898100000000, 0.0001767100000000, -0.0000048000000000 ] - [ 0.0660094600000000, 0.1808402500000000, 0.0368743500000000 ] - [ 0.0030464400000000, -0.0108689400000000, 0.0012104300000000 ] - [ -0.0215653800000000, 0.0480159000000000, -0.0023773200000000 ] - [ 0.0001503800000000, -0.0004176400000000, -0.0002759500000000 ] - [ -0.0012663800000000, -0.0079110000000000, -0.0018713300000000 ] - [ -0.0184720600000000, 0.1140558600000000, -0.0889243600000000 ] - [ 0.0001701400000000, -0.0000535100000000, -0.0002169500000000 ] - [ -0.0000693600000000, -0.0001025500000000, -0.0002828900000000 ] - [ 0.0002051400000000, -0.0099847200000000, 0.0049464400000000 ] - [ -0.0272254600000000, 0.0612973100000000, 0.0617197000000000 ] - [ -0.0001342600000000, -0.0001335200000000, 0.0000692500000000 ] - [ 0.0002113800000000, -0.0001788600000000, 0.0001127100000000 ] - [ 0.0003281500000000, -0.0091764500000000, -0.0031232800000000 ] - [ 0.0000450800000000, 0.0038271500000000, -0.0003473500000000 ] - [ 0.0006583100000000, 0.0005967500000000, -0.0001818300000000 ] - [ 0.0005994200000000, -0.0004085700000000, -0.0001279200000000 ] - [ 0.0001627900000000, -0.0045103700000000, 0.0002330200000000 ] - [ 0.0026630700000000, 0.0007796000000000, 0.0009906000000000 ] - [ -0.0000040100000000, 0.0001921900000000, 0.0002377200000000 ] - [ -0.0004160500000000, -0.0006472200000000, 0.0006009400000000 ] - [ 0.0035037300000000, -0.0008941500000000, -0.0001520500000000 ] - [ 0.0031375600000000, 0.0005806700000000, -0.0011743300000000 ] - [ -0.0003214800000000, -0.0000293200000000, 0.0001452100000000 ] - [ -0.0003944000000000, -0.0009962100000000, -0.0003315000000000 ] - [ 0.0040405000000000, 0.0000848400000000, 0.0007903400000000 ] - [ 0.0051111600000000, 0.0060374700000000, -0.0044251800000000 ] - [ -0.0003219600000000, 0.0004171000000000, 0.0000815600000000 ] - [ 0.0003990100000000, -0.0000375300000000, 0.0000185100000000 ] - [ 0.0000214600000000, -0.0001963100000000, -0.0003224000000000 ] - [ -0.0006147400000000, -0.0009365600000000, 0.0001420000000000 ] - [ -0.0001342000000000, -0.0001929800000000, 0.0001903800000000 ] - [ -0.0006448300000000, 0.0003641900000000, 0.0001741000000000 ] - [ 0.0001102300000000, 0.0015543900000000, 0.0002598200000000 ] - [ 0.0026556500000000, 0.0142150500000000, 0.0005025500000000 ] - [ 0.0001728700000000, 0.0001414200000000, 0.0002019600000000 ] - [ -0.0002504900000000, 0.0000496300000000, 0.0002090900000000 ] - [ 0.0024664900000000, -0.0047720600000000, -0.0004580800000000 ] - [ 0.0003044100000000, -0.0075000800000000, -0.0006336100000000 ] - [ 0.0002981300000000, 0.0001496700000000, 0.0000199500000000 ] - [ -0.0001044200000000, 0.0003421600000000, 0.0000399300000000 ] - [ 0.0001293600000000, 0.0015177000000000, 0.0000048300000000 ] - [ 0.0017047800000000, 0.0046259500000000, 0.0017118900000000 ] - [ 0.0000715900000000, 0.0004796100000000, -0.0000870200000000 ] - [ -0.0001603700000000, -0.0007112300000000, -0.0001115600000000 ] - [ 0.0024599600000000, -0.0076469400000000, -0.0007979200000000 ] - [ 0.0075496200000000, -0.4525369600000000, 0.0047937500000000 ] - [ 0.0000009000000000, -0.0000696600000000, -0.0000403700000000 ] - [ -0.0001661800000000, 0.0001376000000000, -0.0000787700000000 ] - [ 0.0014911400000000, 0.0146943900000000, 0.0003868600000000 ] - [ -0.0041582800000000, 0.0049591900000000, -0.0002794800000000 ] - [ -0.0001077700000000, 0.0007609700000000, -0.0000103000000000 ] - [ -0.0001487600000000, -0.0009419400000000, -0.0000630100000000 ] - [ -0.0040996600000000, -0.0019883300000000, -0.0000902900000000 ] - [ 0.0278859200000000, -0.0062758600000000, -0.0045431500000000 ] - [ -0.0003555500000000, -0.0000275000000000, -0.0000575400000000 ] - [ -0.0003662400000000, 0.0000390100000000, -0.0000532600000000 ] - [ 0.0135481700000000, 0.0297501000000000, -0.0015582600000000 ] - [ -0.0212494700000000, 0.0177117000000000, -0.0028355200000000 ] - [ 0.0006766800000000, 0.0000121200000000, 0.0001327900000000 ] - [ -0.0004791500000000, -0.0002008200000000, 0.0001478600000000 ] - [ -0.0352804100000000, 0.0333450000000000, -0.0012499300000000 ] - [ -0.0031121500000000, -0.0024010100000000, 0.0001096200000000 ] - [ 0.0034154700000000, 0.0006519300000000, -0.0002916500000000 ] - [ 0.0019185600000000, -0.0006072300000000, -0.0003509600000000 ] - [ -0.0016886100000000, 0.0019579800000000, -0.0003899800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032340500000000, -0.0070475700000000, 0.0014776700000000 ] - [ -0.0001075500000000, -0.0006608800000000, 0.0000862200000000 ] - [ 0.0003943300000000, 0.0000740700000000, -0.0000115800000000 ] - [ -0.0014725500000000, 0.0054917600000000, 0.0002311200000000 ] - [ 0.0004242900000000, -0.0009554400000000, 0.0002535000000000 ] - [ 0.0006061800000000, -0.0027970300000000, -0.0004918100000000 ] - [ 0.0015605500000000, 0.0013242300000000, 0.0002539800000000 ] - [ -0.0003957700000000, 0.0012061500000000, -0.0002341600000000 ] - [ 0.0030616300000000, 0.0012507000000000, -0.0018121800000000 ] - [ -0.0003825900000000, 0.0002968700000000, 0.0002297300000000 ] - [ -0.0003198700000000, -0.0002695200000000, -0.0001074900000000 ] - [ 0.0044446500000000, -0.0002116400000000, 0.0012797100000000 ] - [ 0.0045702300000000, 0.0022543900000000, 0.0013013600000000 ] - [ -0.0001496500000000, 0.0002552700000000, -0.0000727900000000 ] - [ -0.0002504600000000, -0.0001363000000000, 0.0001532100000000 ] - [ 0.0054756700000000, -0.0005340800000000, -0.0033888300000000 ] - [ 0.0006092700000000, 0.0112410500000000, 0.0006238000000000 ] - [ -0.0003628400000000, 0.0001668100000000, -0.0000040500000000 ] - [ 0.0002154700000000, -0.0000698100000000, 0.0000088800000000 ] - [ -0.0611715200000000, -0.1700463400000000, -0.0339424600000000 ] - [ -0.0038475800000000, 0.0104549600000000, -0.0010952900000000 ] - [ 0.0226404800000000, -0.0477404000000000, 0.0020162400000000 ] - [ -0.0000256600000000, -0.0001661100000000, -0.0003256000000000 ] - [ 0.0011193300000000, 0.0084821600000000, 0.0012776500000000 ] - [ 0.0191466300000000, -0.1169203100000000, 0.0936023800000000 ] - [ 0.0000970800000000, -0.0001068900000000, -0.0002815400000000 ] - [ -0.0001915600000000, -0.0000579600000000, -0.0002181200000000 ] - [ 0.0000307200000000, 0.0101053600000000, -0.0054239600000000 ] - [ 0.0280204400000000, -0.0605668400000000, -0.0624339800000000 ] - [ -0.0001871100000000, -0.0001924400000000, 0.0001191000000000 ] - [ 0.0001176300000000, -0.0001445300000000, 0.0000748800000000 ] - [ -0.0006866600000000, 0.0094997400000000, 0.0032962800000000 ] - [ -0.0002640600000000, -0.0042426900000000, 0.0000314400000000 ] - [ -0.0004460400000000, -0.0001688900000000, -0.0001308800000000 ] - [ -0.0008020900000000, 0.0008291300000000, -0.0001849200000000 ] - [ 0.0000478300000000, 0.0040921100000000, -0.0005493200000000 ] - [ -0.0029296200000000, -0.0004221800000000, -0.0001965600000000 ] - [ 0.0002864000000000, -0.0005406100000000, 0.0005529500000000 ] - [ 0.0001412200000000, 0.0003013300000000, 0.0001868400000000 ] - [ -0.0032305100000000, 0.0012347500000000, 0.0009306900000000 ] - [ -0.0029992300000000, 0.0003463500000000, 0.0010021000000000 ] - [ 0.0002010500000000, -0.0008940700000000, -0.0003155500000000 ] - [ 0.0005249700000000, 0.0000805400000000, 0.0001673900000000 ] - [ -0.0041604400000000, 0.0008230800000000, -0.0009394800000000 ] - [ -0.0043260600000000, -0.0064486600000000, 0.0044940600000000 ] - [ -0.0004109200000000, 0.0000388500000000, 0.0000260800000000 ] - [ 0.0003513100000000, 0.0004949800000000, 0.0000861700000000 ] - [ -0.0001359500000000, -0.0003870900000000, -0.0002805200000000 ] - [ 0.0001811400000000, 0.0008668400000000, 0.0002280100000000 ] - [ 0.0005550100000000, 0.0002580800000000, 0.0001778300000000 ] - [ 0.0002187300000000, -0.0002957800000000, 0.0001945700000000 ] - [ 0.0003115200000000, -0.0016194600000000, 0.0001077000000000 ] - [ -0.0031032800000000, -0.0146023900000000, -0.0000856300000000 ] - [ 0.0002373400000000, 0.0000551100000000, 0.0002076100000000 ] - [ -0.0001605900000000, 0.0001492300000000, 0.0002016500000000 ] - [ -0.0020303100000000, 0.0045569100000000, 0.0008406800000000 ] - [ -0.0007310700000000, 0.0069528300000000, 0.0006902500000000 ] - [ 0.0000878300000000, 0.0003859100000000, 0.0000385000000000 ] - [ -0.0002852200000000, 0.0001933300000000, 0.0000185200000000 ] - [ 0.0002548700000000, -0.0020535200000000, 0.0000529900000000 ] - [ -0.0019100500000000, -0.0045334700000000, -0.0018902100000000 ] - [ 0.0001120000000000, -0.0005612200000000, -0.0000924900000000 ] - [ -0.0000362800000000, 0.0006295900000000, -0.0000688000000000 ] - [ -0.0022785000000000, 0.0077193800000000, 0.0006075900000000 ] - [ -0.0151728500000000, 0.4440558400000000, -0.0123321100000000 ] - [ 0.0001554800000000, 0.0001448400000000, -0.0000813400000000 ] - [ -0.0000007800000000, -0.0000620300000000, -0.0000419300000000 ] - [ -0.0012900600000000, -0.0147678500000000, -0.0005214100000000 ] - [ 0.0042169100000000, -0.0044855400000000, 0.0001945800000000 ] - [ 0.0000838100000000, -0.0012221400000000, -0.0000760200000000 ] - [ 0.0001614700000000, 0.0004802200000000, -0.0000236000000000 ] - [ 0.0040732300000000, 0.0024290900000000, 0.0000029400000000 ] - [ -0.0277346900000000, 0.0064329900000000, 0.0043944900000000 ] - [ 0.0002538200000000, -0.0000056600000000, -0.0000569800000000 ] - [ 0.0004495000000000, -0.0000735900000000, -0.0000614600000000 ] - [ -0.0135708900000000, -0.0297045000000000, 0.0014831100000000 ] - [ 0.0202287800000000, -0.0174774600000000, 0.0031076500000000 ] - [ 0.0003700200000000, -0.0001954500000000, 0.0001547300000000 ] - [ -0.0005829600000000, 0.0000152900000000, 0.0001398700000000 ] - [ 0.0359086700000000, -0.0326877700000000, 0.0015607100000000 ] - [ 0.0025389800000000, 0.0022799300000000, -0.0004390600000000 ] - [ -0.0028606900000000, -0.0005306500000000, -0.0000366800000000 ] - [ -0.0024855500000000, 0.0007390700000000, 0.0000227300000000 ] - [ 0.0022376500000000, -0.0020824000000000, 0.0000586600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009278300000000, 0.0008272700000000, -0.0043729200000000 ] - [ -0.0002040400000000, -0.0001476900000000, 0.0000145700000000 ] - [ 0.0003651500000000, -0.0002806200000000, 0.0000389900000000 ] - [ -0.0002019600000000, 0.0002202900000000, 0.0000563000000000 ] - [ 0.0006598000000000, 0.0004877600000000, -0.0001133600000000 ] - [ -0.0006245500000000, -0.0001227600000000, -0.0000257600000000 ] - [ 0.0006838500000000, -0.0002549800000000, 0.0000455300000000 ] - [ -0.0003397900000000, 0.0003098100000000, -0.0000288300000000 ] - [ 0.0002918600000000, -0.0001255700000000, -0.0008846600000000 ] - [ 0.0000144700000000, 0.0000936200000000, 0.0000850000000000 ] - [ 0.0002069800000000, 0.0000660200000000, 0.0001051300000000 ] - [ -0.0008939500000000, 0.0002849400000000, -0.0004039300000000 ] - [ 0.0017918700000000, -0.0009747400000000, -0.0010229900000000 ] - [ 0.0001163600000000, 0.0001151600000000, 0.0000146500000000 ] - [ 0.0001002600000000, 0.0000735500000000, 0.0000353300000000 ] - [ -0.0001720300000000, 0.0010313000000000, 0.0008762200000000 ] - [ -0.0003284500000000, -0.0028819900000000, -0.0054279700000000 ] - [ -0.0002383700000000, 0.0000299700000000, 0.0000067400000000 ] - [ 0.0003627800000000, 0.0000737700000000, -0.0000017900000000 ] - [ 0.0171847800000000, 0.0320364700000000, 0.0439801000000000 ] - [ -0.0010399000000000, -0.0023137200000000, 0.0025246400000000 ] - [ 0.0386802500000000, -0.0018931000000000, 0.0429756300000000 ] - [ 0.0001032900000000, -0.0003144100000000, -0.0002967000000000 ] - [ -0.0005292900000000, -0.0012005000000000, -0.0006789300000000 ] - [ 0.0206076100000000, -0.0968947900000000, 0.1380337500000000 ] - [ 0.0001823800000000, -0.0000774000000000, -0.0002456800000000 ] - [ -0.0000745800000000, -0.0000842300000000, -0.0002567200000000 ] - [ 0.0005815500000000, -0.0006120300000000, 0.0011266700000000 ] - [ -0.0606929200000000, 0.0497348200000000, 0.1566874900000000 ] - [ -0.0001125100000000, -0.0001643000000000, 0.0001012500000000 ] - [ 0.0002209900000000, -0.0001664600000000, 0.0000888500000000 ] - [ 0.0002508300000000, -0.0003050300000000, -0.0004533800000000 ] - [ 0.0003311900000000, 0.0007977900000000, 0.0003418000000000 ] - [ 0.0000797800000000, 0.0003290900000000, -0.0001625900000000 ] - [ 0.0000223700000000, 0.0000629300000000, -0.0001762400000000 ] - [ -0.0005134700000000, -0.0007747000000000, 0.0000519000000000 ] - [ 0.0010446500000000, 0.0003454300000000, -0.0009288000000000 ] - [ 0.0001531300000000, -0.0001948400000000, 0.0003991800000000 ] - [ -0.0001584300000000, -0.0001907000000000, 0.0003985600000000 ] - [ 0.0010414000000000, 0.0002826100000000, -0.0008559800000000 ] - [ 0.0007511800000000, 0.0008391100000000, 0.0005068000000000 ] - [ -0.0000484600000000, -0.0005497900000000, -0.0001588100000000 ] - [ 0.0000278800000000, -0.0004789600000000, -0.0000893200000000 ] - [ -0.0000492800000000, -0.0008748100000000, -0.0005596300000000 ] - [ 0.0056967500000000, -0.0018188200000000, -0.0049566200000000 ] - [ -0.0003564800000000, 0.0002316800000000, 0.0000541800000000 ] - [ 0.0004341100000000, 0.0001928200000000, 0.0000462000000000 ] - [ 0.0000012600000000, -0.0002826700000000, -0.0003140700000000 ] - [ 0.0007426700000000, -0.0000307000000000, 0.0003721600000000 ] - [ 0.0001948700000000, -0.0000064900000000, 0.0001836900000000 ] - [ -0.0002650400000000, 0.0001148500000000, 0.0001759600000000 ] - [ 0.0002727200000000, 0.0001644800000000, 0.0002373700000000 ] - [ -0.0005635500000000, -0.0005543200000000, -0.0042691300000000 ] - [ 0.0001644200000000, 0.0000999600000000, 0.0002036900000000 ] - [ -0.0002433800000000, 0.0000905300000000, 0.0002061600000000 ] - [ 0.0003806200000000, -0.0016637400000000, 0.0161357700000000 ] - [ -0.0003708100000000, -0.0010092400000000, -0.0046438300000000 ] - [ 0.0001802600000000, 0.0002410800000000, 0.0000255500000000 ] - [ -0.0002520800000000, 0.0002904500000000, 0.0000248600000000 ] - [ 0.0000432500000000, -0.0001878500000000, 0.0001297000000000 ] - [ -0.0004164600000000, 0.0003041900000000, -0.0011146000000000 ] - [ -0.0000401300000000, -0.0000363000000000, -0.0000876400000000 ] - [ -0.0002568400000000, -0.0000986900000000, -0.0000636700000000 ] - [ -0.0005049400000000, -0.0010958700000000, 0.0005649900000000 ] - [ -0.0221324800000000, 0.0145752300000000, -0.4391392100000000 ] - [ 0.0000026100000000, 0.0000194800000000, -0.0000591500000000 ] - [ -0.0001461400000000, 0.0000579900000000, -0.0000574300000000 ] - [ 0.0004863700000000, 0.0004278800000000, 0.0006400500000000 ] - [ 0.0008043400000000, 0.0017302700000000, -0.0004861300000000 ] - [ -0.0000330800000000, -0.0000932800000000, -0.0000472600000000 ] - [ 0.0000383800000000, -0.0002150200000000, -0.0000488400000000 ] - [ -0.0038911500000000, -0.0004638100000000, -0.0005025500000000 ] - [ 0.0037521700000000, 0.0041145100000000, 0.0438306900000000 ] - [ -0.0001902900000000, -0.0000765100000000, -0.0000570100000000 ] - [ -0.0000927300000000, 0.0000169500000000, -0.0000625500000000 ] - [ 0.0032297500000000, 0.0039615300000000, -0.0006885300000000 ] - [ -0.0023887100000000, 0.0084581400000000, 0.0299887900000000 ] - [ 0.0004843400000000, -0.0001045800000000, 0.0001463100000000 ] - [ -0.0006565700000000, -0.0000633400000000, 0.0001533600000000 ] - [ -0.0039743100000000, -0.0031967200000000, -0.0074382200000000 ] - [ -0.0008497400000000, -0.0002368700000000, -0.0000643400000000 ] - [ 0.0004886200000000, -0.0002089600000000, -0.0003246600000000 ] - [ -0.0003918500000000, 0.0003909400000000, 0.0001089500000000 ] - [ 0.0000567400000000, -0.0002027800000000, -0.0001530600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004095200000000, -0.0003292700000000, 0.0044516600000000 ] - [ -0.0003339500000000, -0.0003327200000000, 0.0000600900000000 ] - [ 0.0001848200000000, -0.0002061800000000, 0.0000367000000000 ] - [ -0.0003531600000000, 0.0002652900000000, 0.0000192100000000 ] - [ 0.0001697900000000, 0.0001422000000000, 0.0000312600000000 ] - [ -0.0002051400000000, -0.0005057800000000, -0.0000568100000000 ] - [ 0.0001429400000000, -0.0003734200000000, -0.0001271500000000 ] - [ -0.0004812300000000, 0.0003147600000000, -0.0000516300000000 ] - [ -0.0001180100000000, 0.0000101700000000, 0.0010699100000000 ] - [ -0.0001846100000000, 0.0000206900000000, 0.0001146800000000 ] - [ -0.0000225000000000, 0.0000478000000000, 0.0000939000000000 ] - [ 0.0007214500000000, -0.0004035500000000, 0.0006093500000000 ] - [ -0.0018253500000000, 0.0008142200000000, 0.0010841100000000 ] - [ -0.0000782700000000, 0.0000514500000000, 0.0000321400000000 ] - [ -0.0001253900000000, 0.0000918800000000, 0.0000126800000000 ] - [ 0.0002025100000000, -0.0012045000000000, -0.0008407600000000 ] - [ 0.0008863300000000, 0.0027834000000000, 0.0054691200000000 ] - [ -0.0003568500000000, 0.0000675500000000, -0.0000025600000000 ] - [ 0.0002440400000000, 0.0000242500000000, 0.0000057800000000 ] - [ -0.0178982300000000, -0.0325964700000000, -0.0445020000000000 ] - [ 0.0002417500000000, 0.0018634700000000, -0.0024222600000000 ] - [ -0.0382863600000000, 0.0023682800000000, -0.0431922900000000 ] - [ 0.0000001800000000, -0.0002765500000000, -0.0003143300000000 ] - [ 0.0004088600000000, 0.0017574500000000, 0.0000729200000000 ] - [ -0.0194718300000000, 0.0905783900000000, -0.1324524900000000 ] - [ 0.0000891300000000, -0.0000855600000000, -0.0002553000000000 ] - [ -0.0001850500000000, -0.0000764700000000, -0.0002441100000000 ] - [ -0.0003390000000000, 0.0007496400000000, -0.0016384900000000 ] - [ 0.0659656700000000, -0.0540252700000000, -0.1658105000000000 ] - [ -0.0002026000000000, -0.0001672000000000, 0.0000916700000000 ] - [ 0.0001070700000000, -0.0001622800000000, 0.0001006500000000 ] - [ -0.0005945800000000, 0.0006251200000000, 0.0006569500000000 ] - [ -0.0004989500000000, -0.0011617700000000, -0.0006552300000000 ] - [ 0.0001307300000000, 0.0000640100000000, -0.0001482100000000 ] - [ -0.0002153800000000, 0.0003240100000000, -0.0001336400000000 ] - [ 0.0007244800000000, 0.0003777900000000, -0.0003649800000000 ] - [ -0.0012897900000000, -0.0000395300000000, 0.0016291600000000 ] - [ 0.0001274800000000, -0.0001211800000000, 0.0003436800000000 ] - [ -0.0001105000000000, -0.0001278100000000, 0.0003440900000000 ] - [ -0.0007389100000000, 0.0000391000000000, 0.0015850700000000 ] - [ -0.0006025000000000, 0.0000538200000000, -0.0006394900000000 ] - [ -0.0000650100000000, -0.0003657600000000, -0.0000063200000000 ] - [ 0.0000972600000000, -0.0004368700000000, -0.0000745000000000 ] - [ -0.0000430700000000, 0.0017944000000000, 0.0004054800000000 ] - [ -0.0047237800000000, 0.0012811400000000, 0.0050205500000000 ] - [ -0.0004169500000000, 0.0002276700000000, 0.0000498000000000 ] - [ 0.0003544200000000, 0.0002668400000000, 0.0000557900000000 ] - [ -0.0000915100000000, -0.0003076400000000, -0.0002981000000000 ] - [ -0.0011684000000000, -0.0000471000000000, -0.0000016000000000 ] - [ 0.0002157600000000, 0.0000749000000000, 0.0001862800000000 ] - [ -0.0001582500000000, -0.0000438300000000, 0.0001946600000000 ] - [ 0.0001405600000000, -0.0002282600000000, 0.0001331300000000 ] - [ 0.0001554200000000, 0.0003776100000000, 0.0046796500000000 ] - [ 0.0002410500000000, 0.0000943500000000, 0.0002068400000000 ] - [ -0.0001718500000000, 0.0001020500000000, 0.0002033500000000 ] - [ 0.0001373200000000, 0.0016526400000000, -0.0157338500000000 ] - [ -0.0000551400000000, 0.0004726200000000, 0.0047095300000000 ] - [ 0.0002134200000000, 0.0002964300000000, 0.0000313900000000 ] - [ -0.0001440000000000, 0.0002470900000000, 0.0000329100000000 ] - [ 0.0003550700000000, -0.0003425900000000, -0.0000715000000000 ] - [ 0.0002609200000000, -0.0002293500000000, 0.0009316600000000 ] - [ 0.0001976600000000, -0.0000358200000000, -0.0000900900000000 ] - [ 0.0000853400000000, 0.0000227200000000, -0.0001146300000000 ] - [ 0.0006828900000000, 0.0011916800000000, -0.0007459300000000 ] - [ 0.0154458400000000, -0.0025692500000000, 0.4425598200000000 ] - [ 0.0001301300000000, 0.0000600600000000, -0.0000585300000000 ] - [ -0.0000025600000000, 0.0000209300000000, -0.0000594600000000 ] - [ -0.0003093600000000, -0.0004802100000000, -0.0007691100000000 ] - [ -0.0008213900000000, -0.0012502600000000, 0.0004030100000000 ] - [ 0.0000441300000000, -0.0003678200000000, -0.0000388100000000 ] - [ -0.0000662500000000, -0.0002505400000000, -0.0000383400000000 ] - [ 0.0037593300000000, 0.0009316700000000, 0.0004264200000000 ] - [ -0.0039082800000000, -0.0044209000000000, -0.0440186000000000 ] - [ 0.0000379900000000, 0.0000381900000000, -0.0000561600000000 ] - [ 0.0002193900000000, -0.0000566200000000, -0.0000504900000000 ] - [ -0.0033541300000000, -0.0039208400000000, 0.0005861600000000 ] - [ 0.0013150800000000, -0.0083714200000000, -0.0297546100000000 ] - [ 0.0006076600000000, -0.0000811200000000, 0.0001507900000000 ] - [ -0.0004609400000000, -0.0001247500000000, 0.0001444700000000 ] - [ 0.0051874300000000, 0.0032898100000000, 0.0077087200000000 ] - [ 0.0002754900000000, 0.0001100800000000, -0.0002695300000000 ] - [ 0.0000628500000000, 0.0003224700000000, -0.0000078000000000 ] - [ -0.0001734300000000, -0.0002899500000000, -0.0004419100000000 ] - [ 0.0004923200000000, 0.0001063100000000, -0.0001831000000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0067043900000000, -0.0009818200000000, 0.0009678600000000 ] - [ -0.0016963900000000, -0.0005840600000000, 0.0001222300000000 ] - [ -0.0021569400000000, 0.0003028100000000, 0.0000023800000000 ] - [ -0.0028933800000000, 0.0004098300000000, 0.0000817300000000 ] - [ 0.0004889200000000, -0.0016170600000000, -0.0006337600000000 ] - [ 0.0028197900000000, -0.0012403000000000, 0.0006621700000000 ] - [ -0.0019901100000000, -0.0005286900000000, 0.0002533600000000 ] - [ -0.0027644200000000, 0.0000902600000000, -0.0003461300000000 ] - [ -0.0023161000000000, -0.0003087700000000, 0.0000815500000000 ] - [ -0.0023976000000000, -0.0003752300000000, 0.0000497700000000 ] - [ -0.0016974900000000, -0.0014290800000000, 0.0006912500000000 ] - [ 0.0077384000000000, 0.0002885400000000, -0.0002267000000000 ] - [ -0.0027382800000000, -0.0002735500000000, -0.0003180200000000 ] - [ -0.0024246900000000, -0.0003647100000000, 0.0004258600000000 ] - [ -0.0013503500000000, -0.0004671600000000, -0.0003667800000000 ] - [ 0.0078917000000000, -0.0001407600000000, -0.0014648100000000 ] - [ -0.0025071000000000, 0.0021116200000000, -0.0025122700000000 ] - [ -0.0028286400000000, 0.0007144700000000, -0.0001407000000000 ] - [ -0.0020259100000000, -0.0006332100000000, 0.0001208100000000 ] - [ 0.0002932600000000, -0.0004691600000000, 0.0001034500000000 ] - [ 0.2218467400000000, 0.0220157600000000, 0.0228550000000000 ] - [ -0.0012155200000000, 0.0006841600000000, -0.0005142400000000 ] - [ -0.0028837400000000, -0.0004685700000000, -0.0005599500000000 ] - [ 0.0033955900000000, -0.0039548400000000, -0.0013451800000000 ] - [ -0.0021406300000000, 0.0036315200000000, 0.0020526800000000 ] - [ -0.0021019300000000, 0.0003775900000000, -0.0002284300000000 ] - [ -0.0024715400000000, -0.0005658400000000, -0.0003216900000000 ] - [ -0.0022004400000000, -0.0042565800000000, 0.0001907200000000 ] - [ 0.0003015800000000, 0.0033672400000000, -0.0026202200000000 ] - [ -0.0024700300000000, 0.0004445900000000, -0.0003231000000000 ] - [ -0.0024054500000000, -0.0007288500000000, 0.0005785200000000 ] - [ -0.0021655000000000, -0.0028523100000000, -0.0001404900000000 ] - [ -0.0023600100000000, -0.0006932700000000, -0.0002631200000000 ] - [ -0.0022645900000000, -0.0004187600000000, -0.0000521300000000 ] - [ -0.0035454500000000, 0.0001037200000000, -0.0002329700000000 ] - [ 0.0845917300000000, -0.0724837300000000, -0.0038625400000000 ] - [ -0.0022924800000000, 0.0004430800000000, 0.0004983900000000 ] - [ -0.0021768900000000, 0.0002239200000000, 0.0002849100000000 ] - [ -0.0025378400000000, 0.0015519000000000, 0.0004040600000000 ] - [ 0.0532153800000000, 0.0171470100000000, 0.0358894700000000 ] - [ -0.0022600600000000, 0.0008210900000000, -0.0003376500000000 ] - [ -0.0025547100000000, 0.0000443700000000, 0.0001922100000000 ] - [ -0.0018851700000000, 0.0011965400000000, -0.0000868100000000 ] - [ 0.0633665300000000, 0.0368970700000000, -0.0449550700000000 ] - [ -0.0014377700000000, -0.0000241500000000, 0.0001333400000000 ] - [ -0.0026480500000000, 0.0004161400000000, -0.0001467200000000 ] - [ -0.0021588400000000, 0.0003185500000000, 0.0003488000000000 ] - [ -0.0023269500000000, -0.0001375100000000, -0.0000261700000000 ] - [ 0.0011433300000000, -0.0000565500000000, 0.0001822000000000 ] - [ 0.0016367300000000, 0.0000681300000000, 0.0001900300000000 ] - [ 0.0154122000000000, -0.0007881300000000, -0.0002412200000000 ] - [ -0.0057456500000000, -0.0032716800000000, 0.0008754800000000 ] - [ 0.0064249600000000, -0.0002738600000000, -0.0003882900000000 ] - [ 0.0016906800000000, 0.0000426500000000, 0.0002529900000000 ] - [ 0.0010868300000000, 0.0001910200000000, 0.0001730400000000 ] - [ -0.0020161100000000, 0.0003295400000000, 0.0001970800000000 ] - [ -0.0059306200000000, -0.0012832100000000, 0.0001641300000000 ] - [ 0.0007791900000000, 0.0001308000000000, 0.0000248600000000 ] - [ 0.0012734600000000, 0.0002330400000000, 0.0000724900000000 ] - [ 0.0017770100000000, -0.0001730500000000, -0.0000194300000000 ] - [ 0.0032699700000000, 0.0000897100000000, -0.0000378500000000 ] - [ 0.0031341700000000, 0.0000576600000000, -0.0000443200000000 ] - [ 0.0011567000000000, 0.0015350900000000, 0.0004177700000000 ] - [ -0.0041394200000000, 0.0018263700000000, -0.0001962600000000 ] - [ 0.0009072100000000, -0.0042123700000000, 0.0007504800000000 ] - [ 0.0029974600000000, -0.0000580600000000, -0.0000227300000000 ] - [ 0.0033066100000000, 0.0001940100000000, -0.0000077100000000 ] - [ 0.0063977300000000, 0.0040481400000000, 0.0037779700000000 ] - [ -0.4240389900000000, -0.0124966900000000, -0.0184188200000000 ] - [ 0.0039341300000000, -0.0023249500000000, -0.0004842800000000 ] - [ 0.0029621300000000, -0.0002811600000000, 0.0000704200000000 ] - [ 0.0026504200000000, 0.0002763200000000, -0.0001541300000000 ] - [ 0.0046497100000000, -0.0014784200000000, -0.0002305000000000 ] - [ 0.0048836100000000, -0.0000645800000000, -0.0001974700000000 ] - [ 0.0053908200000000, 0.0009503900000000, -0.0001337900000000 ] - [ -0.0160898800000000, 0.0384715600000000, -0.0032153600000000 ] - [ -0.0195961300000000, -0.0197996600000000, 0.0137511600000000 ] - [ 0.0055527500000000, -0.0010884500000000, 0.0002799100000000 ] - [ 0.0045244000000000, 0.0000265200000000, 0.0000636900000000 ] - [ 0.0046202000000000, 0.0017673400000000, 0.0001121400000000 ] - [ 0.0044589900000000, 0.0103833100000000, -0.0017739500000000 ] - [ 0.0010606500000000, -0.0106498900000000, -0.0003826900000000 ] - [ 0.0048409600000000, -0.0000573300000000, -0.0003417600000000 ] - [ 0.0052707600000000, 0.0001326500000000, -0.0000301500000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0061712500000000, 0.0014709600000000, -0.0008993500000000 ] - [ 0.0011803100000000, 0.0001108900000000, -0.0000525900000000 ] - [ 0.0026850000000000, -0.0007694800000000, 0.0000683900000000 ] - [ 0.0023537400000000, 0.0000612500000000, -0.0000085200000000 ] - [ 0.0003578100000000, 0.0022260700000000, 0.0005471900000000 ] - [ -0.0036347700000000, 0.0006151300000000, -0.0007477900000000 ] - [ 0.0028224800000000, -0.0000941200000000, -0.0003390800000000 ] - [ 0.0019286500000000, 0.0005326200000000, 0.0002594800000000 ] - [ 0.0024932200000000, 0.0002120200000000, 0.0001007600000000 ] - [ 0.0022133000000000, 0.0004781100000000, 0.0001396400000000 ] - [ 0.0018785000000000, 0.0015118200000000, -0.0004945000000000 ] - [ -0.0079092700000000, -0.0003988300000000, 0.0004223800000000 ] - [ 0.0027035800000000, 0.0001113200000000, 0.0003624100000000 ] - [ 0.0024485800000000, 0.0005257500000000, -0.0003773900000000 ] - [ 0.0013353500000000, 0.0006173500000000, 0.0004100500000000 ] - [ -0.0078627700000000, -0.0000296600000000, 0.0015092300000000 ] - [ 0.0030761300000000, -0.0021978300000000, 0.0025013300000000 ] - [ 0.0022270600000000, -0.0006159200000000, 0.0001470400000000 ] - [ 0.0026207700000000, 0.0007289700000000, -0.0001146700000000 ] - [ -0.0008978100000000, 0.0003603500000000, -0.0000992500000000 ] - [ -0.2378416600000000, -0.0252103100000000, -0.0253272000000000 ] - [ 0.0013068400000000, -0.0001011600000000, -0.0000945000000000 ] - [ 0.0029749600000000, -0.0001179800000000, -0.0000475100000000 ] - [ -0.0035007600000000, 0.0045555000000000, 0.0007185100000000 ] - [ 0.0018843600000000, -0.0034915200000000, -0.0025628800000000 ] - [ 0.0023628800000000, -0.0005364300000000, -0.0002713100000000 ] - [ 0.0022012700000000, 0.0004038600000000, -0.0001789700000000 ] - [ 0.0024537100000000, 0.0044016700000000, -0.0007050700000000 ] - [ 0.0000239900000000, -0.0030507700000000, 0.0028220000000000 ] - [ 0.0021413100000000, -0.0007692500000000, 0.0005100900000000 ] - [ 0.0027245500000000, 0.0004011100000000, -0.0003905700000000 ] - [ 0.0018324000000000, 0.0031794500000000, 0.0003307800000000 ] - [ 0.0021472800000000, 0.0002821000000000, -0.0000493300000000 ] - [ 0.0024660400000000, 0.0008245700000000, -0.0002590400000000 ] - [ 0.0033318400000000, 0.0002995200000000, -0.0000817700000000 ] - [ -0.0842196200000000, 0.0699059500000000, 0.0034277300000000 ] - [ 0.0020114400000000, -0.0001103300000000, 0.0002654900000000 ] - [ 0.0024495200000000, -0.0005555500000000, 0.0004809000000000 ] - [ 0.0022613900000000, -0.0018599600000000, 0.0003610700000000 ] - [ -0.0535952800000000, -0.0171422500000000, -0.0357665000000000 ] - [ 0.0023772900000000, 0.0000964600000000, 0.0001741200000000 ] - [ 0.0024284200000000, -0.0009629500000000, -0.0003581200000000 ] - [ 0.0020138900000000, -0.0020899500000000, -0.0000708000000000 ] - [ -0.0641076400000000, -0.0358043700000000, 0.0445380800000000 ] - [ 0.0021967800000000, -0.0004349600000000, -0.0000290400000000 ] - [ 0.0018847600000000, 0.0000410300000000, 0.0002514900000000 ] - [ 0.0029207300000000, 0.0001433400000000, -0.0002441700000000 ] - [ 0.0022184100000000, -0.0004488800000000, -0.0005799800000000 ] - [ -0.0015619000000000, -0.0000116400000000, 0.0001881900000000 ] - [ -0.0012150800000000, -0.0000017000000000, 0.0001792400000000 ] - [ -0.0155336000000000, 0.0008350100000000, 0.0005996300000000 ] - [ 0.0061095600000000, 0.0032143700000000, -0.0005062200000000 ] - [ -0.0068833100000000, 0.0000670800000000, 0.0007898300000000 ] - [ -0.0012748800000000, 0.0001521600000000, 0.0001568800000000 ] - [ -0.0014969700000000, 0.0000059600000000, 0.0002371500000000 ] - [ 0.0024329500000000, -0.0005210200000000, 0.0002121700000000 ] - [ 0.0055525300000000, 0.0007212100000000, -0.0001059800000000 ] - [ -0.0003922000000000, 0.0004064700000000, 0.0000318600000000 ] - [ -0.0016606300000000, 0.0003037300000000, -0.0000151900000000 ] - [ -0.0013825300000000, -0.0003657800000000, 0.0000767200000000 ] - [ -0.0034424000000000, -0.0000149000000000, -0.0001384500000000 ] - [ -0.0029500300000000, -0.0001357400000000, -0.0001334300000000 ] - [ -0.0013458800000000, -0.0015886800000000, -0.0005849300000000 ] - [ 0.0042942300000000, -0.0017543600000000, 0.0000173900000000 ] - [ -0.0010560600000000, 0.0041612500000000, -0.0008724300000000 ] - [ -0.0028410200000000, 0.0001350400000000, -0.0000972700000000 ] - [ -0.0034475300000000, -0.0001159000000000, -0.0001093900000000 ] - [ -0.0062700900000000, -0.0041264500000000, -0.0038695300000000 ] - [ 0.4401570300000000, 0.0180975700000000, 0.0220104500000000 ] - [ -0.0039204900000000, 0.0018336200000000, 0.0003930100000000 ] - [ -0.0029587200000000, -0.0001804400000000, -0.0001576700000000 ] - [ -0.0026440500000000, 0.0001885000000000, 0.0000668400000000 ] - [ -0.0045316900000000, 0.0015079200000000, 0.0001204300000000 ] - [ -0.0049901400000000, 0.0000268100000000, 0.0000841200000000 ] - [ -0.0052590600000000, -0.0009776300000000, 0.0000163000000000 ] - [ 0.0160186900000000, -0.0385340500000000, 0.0030997800000000 ] - [ 0.0186350800000000, 0.0200506400000000, -0.0135081100000000 ] - [ -0.0044658700000000, 0.0008906400000000, 0.0000139200000000 ] - [ -0.0055926800000000, -0.0002107300000000, 0.0002292000000000 ] - [ -0.0035249200000000, -0.0015761800000000, 0.0001793100000000 ] - [ -0.0051027700000000, -0.0104415100000000, 0.0014450300000000 ] - [ -0.0005601800000000, 0.0107293100000000, 0.0000477400000000 ] - [ -0.0053935400000000, 0.0001732100000000, 0.0000085100000000 ] - [ -0.0046996000000000, -0.0002485200000000, -0.0003033900000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007544200000000, -0.0109349700000000, -0.0004561500000000 ] - [ -0.0001700600000000, -0.0046438900000000, 0.0005886000000000 ] - [ 0.0002022800000000, -0.0001065000000000, 0.0000280100000000 ] - [ -0.0007311900000000, 0.0005797500000000, 0.0000185100000000 ] - [ -0.0031487400000000, -0.0103124400000000, 0.0020008600000000 ] - [ 0.0009204900000000, -0.0087024200000000, -0.0021450100000000 ] - [ 0.0004155200000000, -0.0001318500000000, -0.0000070500000000 ] - [ -0.0004712900000000, 0.0004019200000000, -0.0000743400000000 ] - [ 0.0003171100000000, 0.0003189500000000, -0.0001008800000000 ] - [ -0.0001003500000000, 0.0000760200000000, 0.0001162400000000 ] - [ -0.0045227200000000, -0.0009708500000000, -0.0007712500000000 ] - [ -0.0006353900000000, -0.0096810000000000, 0.0049057100000000 ] - [ 0.0002007000000000, 0.0004060300000000, 0.0002392900000000 ] - [ 0.0000182800000000, 0.0001093500000000, -0.0000045600000000 ] - [ -0.0033370700000000, -0.0002805200000000, 0.0006002700000000 ] - [ -0.0005516300000000, -0.0101174300000000, -0.0037156600000000 ] - [ 0.0004411600000000, 0.0038761200000000, -0.0004004700000000 ] - [ -0.0000560600000000, 0.0004602100000000, -0.0000295600000000 ] - [ -0.0003728700000000, -0.0005919300000000, 0.0000705500000000 ] - [ -0.0017495400000000, -0.0055962500000000, -0.0002666400000000 ] - [ 0.0298490000000000, 0.0494038900000000, 0.0011697000000000 ] - [ 0.0012210800000000, -0.0012830800000000, -0.0005724400000000 ] - [ 0.0002362600000000, 0.0010770900000000, -0.0004983700000000 ] - [ -0.0033786900000000, 0.0064658800000000, 0.0014438700000000 ] - [ 0.0031451700000000, -0.0015237500000000, 0.0014394900000000 ] - [ 0.0005160600000000, -0.0005604900000000, -0.0004732900000000 ] - [ -0.0005156200000000, 0.0002650900000000, 0.0000219000000000 ] - [ -0.0024105700000000, 0.0004795300000000, -0.0013155300000000 ] - [ 0.0044799400000000, -0.0022720800000000, -0.0018130300000000 ] - [ 0.0002325300000000, -0.0008302500000000, 0.0003835800000000 ] - [ 0.0000138700000000, 0.0000734700000000, -0.0000616900000000 ] - [ -0.0029093600000000, 0.0003411600000000, 0.0008447500000000 ] - [ 0.0000287300000000, -0.0004963600000000, -0.0001390000000000 ] - [ 0.0000664900000000, 0.0001074600000000, -0.0001583400000000 ] - [ -0.0042876600000000, 0.0075088900000000, -0.0001547600000000 ] - [ -0.0716653600000000, 0.1777211600000000, 0.0053833200000000 ] - [ -0.0002986200000000, -0.0000546000000000, 0.0002775600000000 ] - [ 0.0001142700000000, -0.0002023200000000, 0.0004195400000000 ] - [ 0.0055014200000000, -0.0000885800000000, -0.0019969500000000 ] - [ 0.0191447500000000, 0.0757516500000000, 0.0837843900000000 ] - [ -0.0001473200000000, 0.0002508300000000, 0.0000418200000000 ] - [ -0.0000877500000000, -0.0004824500000000, -0.0001104300000000 ] - [ 0.0050449200000000, -0.0006761400000000, 0.0021558200000000 ] - [ 0.0375446800000000, 0.1064265500000000, -0.0891786200000000 ] - [ 0.0004470100000000, -0.0011104700000000, 0.0001979200000000 ] - [ -0.0004440900000000, 0.0000998700000000, 0.0000207300000000 ] - [ 0.0011911700000000, 0.0028401200000000, -0.0000072400000000 ] - [ -0.0000326000000000, -0.0005424800000000, -0.0002485300000000 ] - [ -0.0003225300000000, 0.0000392900000000, 0.0001901500000000 ] - [ 0.0002235300000000, 0.0000768300000000, 0.0001824800000000 ] - [ -0.0013643400000000, -0.0077191800000000, 0.0004619600000000 ] - [ -0.0017493900000000, -0.0055799700000000, -0.0012457200000000 ] - [ 0.0002829600000000, -0.0010313500000000, 0.0001338500000000 ] - [ 0.0000837200000000, -0.0000122100000000, 0.0001967900000000 ] - [ 0.0002372000000000, 0.0004085900000000, 0.0001764000000000 ] - [ 0.0003243400000000, 0.0016793300000000, 0.0002299600000000 ] - [ -0.0029132900000000, 0.0145853600000000, 0.0008858300000000 ] - [ 0.0003341300000000, 0.0019650400000000, 0.0000999600000000 ] - [ -0.0001701200000000, 0.0002178000000000, 0.0000313300000000 ] - [ 0.0005131100000000, -0.0004669300000000, -0.0000236500000000 ] - [ 0.0000324200000000, -0.0006238000000000, -0.0001547700000000 ] - [ 0.0001308700000000, -0.0001460500000000, -0.0000707600000000 ] - [ 0.0042957400000000, 0.0046777300000000, -0.0003510000000000 ] - [ -0.0014120800000000, 0.0144314500000000, 0.0008523600000000 ] - [ -0.0018724300000000, 0.0046788600000000, 0.0014343000000000 ] - [ 0.0001320500000000, 0.0010298600000000, -0.0001971000000000 ] - [ -0.0001516400000000, -0.0006728700000000, -0.0000771300000000 ] - [ 0.0037815600000000, -0.0022375300000000, -0.0007543700000000 ] - [ -0.0197588000000000, -0.4544432500000000, 0.0071178300000000 ] - [ -0.0020927700000000, -0.0082004400000000, 0.0008846400000000 ] - [ 0.0000576200000000, -0.0001339000000000, -0.0000397900000000 ] - [ -0.0000573900000000, 0.0007372500000000, -0.0000530000000000 ] - [ -0.0022435900000000, -0.0006910000000000, -0.0000054500000000 ] - [ -0.0002635900000000, 0.0001124100000000, -0.0000824000000000 ] - [ 0.0029337800000000, -0.0024602600000000, -0.0000767100000000 ] - [ 0.0340931900000000, 0.0320891600000000, -0.0047537000000000 ] - [ -0.0300740100000000, -0.0054966600000000, -0.0026145800000000 ] - [ -0.0028832200000000, 0.0007231400000000, -0.0000150700000000 ] - [ -0.0001753500000000, -0.0000549100000000, 0.0001595600000000 ] - [ 0.0024431500000000, 0.0020468100000000, 0.0002706800000000 ] - [ 0.0201926100000000, 0.0179099000000000, -0.0042437100000000 ] - [ -0.0127373200000000, 0.0298362500000000, 0.0003354500000000 ] - [ -0.0003818500000000, -0.0000546900000000, -0.0001887000000000 ] - [ 0.0005089800000000, -0.0000679400000000, -0.0001485500000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002499600000000, 0.0113922300000000, 0.0005182100000000 ] - [ -0.0003489100000000, 0.0041808800000000, -0.0005179400000000 ] - [ 0.0003233400000000, -0.0003452200000000, 0.0000387000000000 ] - [ 0.0002125000000000, -0.0001277300000000, 0.0000516100000000 ] - [ 0.0039285900000000, 0.0108982500000000, -0.0021041600000000 ] - [ -0.0017903500000000, 0.0080961900000000, 0.0020466100000000 ] - [ 0.0004392900000000, -0.0004867600000000, -0.0000846600000000 ] - [ -0.0003624600000000, 0.0002168900000000, -0.0000155200000000 ] - [ -0.0001271700000000, -0.0004026100000000, 0.0002699900000000 ] - [ -0.0000784500000000, 0.0000206300000000, 0.0000656500000000 ] - [ 0.0047071400000000, 0.0010743800000000, 0.0009638900000000 ] - [ 0.0004219000000000, 0.0096081300000000, -0.0047338600000000 ] - [ -0.0002255400000000, -0.0005644500000000, -0.0001961700000000 ] - [ 0.0000126800000000, 0.0000482200000000, 0.0000505400000000 ] - [ 0.0033215800000000, 0.0004427500000000, -0.0005652600000000 ] - [ 0.0005513500000000, 0.0099762500000000, 0.0037697700000000 ] - [ 0.0001372200000000, -0.0039827100000000, 0.0004022900000000 ] - [ -0.0005296700000000, -0.0003671700000000, 0.0000385000000000 ] - [ 0.0009739700000000, 0.0006948700000000, -0.0000641700000000 ] - [ 0.0011699900000000, 0.0055067200000000, 0.0002738700000000 ] - [ -0.0296289700000000, -0.0494730600000000, -0.0009515800000000 ] - [ -0.0011206500000000, 0.0018689400000000, -0.0000335800000000 ] - [ -0.0001129300000000, -0.0016603900000000, -0.0001024600000000 ] - [ 0.0032894000000000, -0.0059227400000000, -0.0020555800000000 ] - [ -0.0034103000000000, 0.0016988800000000, -0.0019464200000000 ] - [ -0.0002497500000000, 0.0004003900000000, -0.0000253400000000 ] - [ 0.0002569800000000, -0.0004247000000000, -0.0005225100000000 ] - [ 0.0026835900000000, -0.0003281800000000, 0.0008229900000000 ] - [ -0.0041364900000000, 0.0026136800000000, 0.0020141500000000 ] - [ -0.0005580700000000, 0.0005065100000000, -0.0001994200000000 ] - [ 0.0003207600000000, -0.0003941200000000, 0.0002444200000000 ] - [ 0.0025865600000000, -0.0000270700000000, -0.0006656000000000 ] - [ -0.0002394800000000, 0.0000658300000000, -0.0001752900000000 ] - [ 0.0001495200000000, 0.0003209100000000, -0.0001549900000000 ] - [ 0.0040907000000000, -0.0070902800000000, -0.0001549000000000 ] - [ 0.0781189100000000, -0.1894274300000000, -0.0062345800000000 ] - [ 0.0000264900000000, 0.0003997100000000, 0.0005035900000000 ] - [ 0.0001694900000000, -0.0001449600000000, 0.0003665100000000 ] - [ -0.0057761000000000, -0.0002585500000000, 0.0027826500000000 ] - [ -0.0183509500000000, -0.0753195800000000, -0.0808461800000000 ] - [ 0.0002759100000000, 0.0006683900000000, -0.0002048800000000 ] - [ -0.0000278200000000, -0.0004430500000000, -0.0000596200000000 ] - [ -0.0049230900000000, -0.0002421000000000, -0.0023172800000000 ] - [ -0.0359823500000000, -0.1034886700000000, 0.0848305900000000 ] - [ 0.0003073300000000, 0.0006566600000000, -0.0000934100000000 ] - [ -0.0002924200000000, 0.0003548800000000, 0.0000866000000000 ] - [ -0.0004309200000000, -0.0023859000000000, 0.0001101900000000 ] - [ -0.0000767300000000, -0.0000403900000000, -0.0003539900000000 ] - [ -0.0001025500000000, -0.0001068700000000, 0.0001791200000000 ] - [ 0.0001979800000000, -0.0000115100000000, 0.0001868100000000 ] - [ 0.0008997700000000, 0.0078025900000000, -0.0000887900000000 ] - [ 0.0021963800000000, 0.0055389100000000, 0.0016304900000000 ] - [ -0.0007054300000000, 0.0008373000000000, 0.0002798400000000 ] - [ 0.0003255600000000, 0.0002095100000000, 0.0002133200000000 ] - [ -0.0006535900000000, -0.0002128800000000, 0.0002338000000000 ] - [ 0.0000859900000000, -0.0018746500000000, 0.0001790800000000 ] - [ 0.0024969900000000, -0.0149251800000000, -0.0008113100000000 ] - [ 0.0000537300000000, -0.0014277300000000, -0.0000416100000000 ] - [ -0.0002193800000000, 0.0003197000000000, 0.0000270500000000 ] - [ -0.0001278800000000, -0.0000706000000000, 0.0000821200000000 ] - [ -0.0002250900000000, 0.0007045700000000, -0.0000223900000000 ] - [ 0.0000514000000000, 0.0000639500000000, -0.0001088000000000 ] - [ -0.0044493400000000, -0.0047681100000000, 0.0001666300000000 ] - [ 0.0016408700000000, -0.0143519400000000, -0.0010303000000000 ] - [ 0.0016977200000000, -0.0047651700000000, -0.0015481300000000 ] - [ 0.0000226100000000, -0.0009547700000000, 0.0000756400000000 ] - [ -0.0000147300000000, 0.0007486200000000, -0.0000438200000000 ] - [ -0.0036294600000000, 0.0021817000000000, 0.0006388600000000 ] - [ 0.0106720900000000, 0.4640878800000000, -0.0048187000000000 ] - [ 0.0020691900000000, 0.0077500900000000, -0.0009673900000000 ] - [ -0.0000466500000000, -0.0003274500000000, -0.0000462700000000 ] - [ 0.0000332100000000, -0.0002746000000000, -0.0000322400000000 ] - [ 0.0023304600000000, 0.0007164800000000, -0.0001096200000000 ] - [ 0.0001603600000000, -0.0001462200000000, -0.0000307800000000 ] - [ -0.0028517600000000, 0.0024236400000000, -0.0000380100000000 ] - [ -0.0345913600000000, -0.0324980700000000, 0.0047261700000000 ] - [ 0.0290758100000000, 0.0055444500000000, 0.0028751600000000 ] - [ 0.0039324500000000, -0.0009057000000000, 0.0003033700000000 ] - [ -0.0008897100000000, -0.0001319000000000, 0.0001294400000000 ] - [ -0.0013998000000000, -0.0018588600000000, 0.0000178900000000 ] - [ -0.0207046900000000, -0.0180784200000000, 0.0039252900000000 ] - [ 0.0133704100000000, -0.0297252600000000, -0.0006798900000000 ] - [ -0.0001903100000000, 0.0001792900000000, -0.0001409500000000 ] - [ 0.0000430800000000, -0.0000561300000000, -0.0001830300000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000629400000000, -0.0020427800000000, -0.0064114900000000 ] - [ -0.0004100000000000, -0.0002274800000000, 0.0002642700000000 ] - [ 0.0001709200000000, -0.0002106600000000, 0.0000330200000000 ] - [ -0.0003896700000000, 0.0002101900000000, 0.0000198200000000 ] - [ -0.0003573200000000, -0.0003129300000000, 0.0014123700000000 ] - [ -0.0000887500000000, -0.0011497200000000, -0.0004273000000000 ] - [ 0.0003323700000000, -0.0003153700000000, -0.0000337800000000 ] - [ -0.0005090500000000, 0.0003007800000000, -0.0000571300000000 ] - [ 0.0000093100000000, -0.0000532200000000, 0.0000661100000000 ] - [ -0.0001785600000000, 0.0000317400000000, 0.0000891500000000 ] - [ 0.0005482100000000, 0.0011109700000000, -0.0011472800000000 ] - [ 0.0000130200000000, -0.0004936200000000, 0.0011963700000000 ] - [ -0.0001195100000000, -0.0001058200000000, 0.0000448900000000 ] - [ -0.0000779400000000, 0.0000652900000000, 0.0000375800000000 ] - [ 0.0003533600000000, -0.0002000800000000, -0.0001102600000000 ] - [ 0.0004941900000000, -0.0002737000000000, -0.0007552700000000 ] - [ 0.0013458000000000, -0.0004349600000000, 0.0004018000000000 ] - [ -0.0004053600000000, 0.0000775900000000, 0.0000067600000000 ] - [ 0.0002527600000000, -0.0000000900000000, -0.0000261600000000 ] - [ -0.0005249200000000, -0.0004199700000000, -0.0000107900000000 ] - [ 0.0248732000000000, 0.0022127000000000, 0.0386470800000000 ] - [ -0.0001237400000000, 0.0003845200000000, -0.0003229900000000 ] - [ -0.0000370300000000, -0.0003037400000000, -0.0003260500000000 ] - [ 0.0039977500000000, 0.0019760400000000, -0.0039133200000000 ] - [ 0.0000694300000000, 0.0011870900000000, -0.0009389500000000 ] - [ 0.0000442300000000, -0.0000532000000000, -0.0002457400000000 ] - [ -0.0002203500000000, -0.0001040700000000, -0.0002436700000000 ] - [ 0.0008748400000000, 0.0004514000000000, -0.0011535800000000 ] - [ -0.0003646100000000, -0.0006891900000000, -0.0013510600000000 ] - [ -0.0002421000000000, -0.0001196700000000, 0.0000824500000000 ] - [ 0.0000562700000000, -0.0001885900000000, 0.0001049100000000 ] - [ -0.0001756800000000, -0.0001437200000000, 0.0009192700000000 ] - [ -0.0001908300000000, -0.0002258200000000, -0.0001594200000000 ] - [ 0.0000134200000000, 0.0001864500000000, -0.0001520600000000 ] - [ -0.0016313200000000, 0.0005947700000000, -0.0043662900000000 ] - [ -0.0029044500000000, 0.0065081900000000, 0.0366485200000000 ] - [ -0.0002199400000000, 0.0001916700000000, 0.0003921600000000 ] - [ 0.0000510700000000, -0.0001566000000000, 0.0003890500000000 ] - [ -0.0001954500000000, 0.0000948100000000, 0.0001372100000000 ] - [ 0.0368534300000000, 0.0792893800000000, 0.1864882500000000 ] - [ -0.0000050500000000, 0.0004717800000000, -0.0001026200000000 ] - [ -0.0001586600000000, -0.0004403600000000, -0.0000728300000000 ] - [ 0.0001696500000000, -0.0002480000000000, 0.0002096700000000 ] - [ -0.0440362000000000, -0.0817804100000000, 0.1313993000000000 ] - [ 0.0002791400000000, -0.0002185900000000, 0.0000674200000000 ] - [ -0.0004495200000000, 0.0002362400000000, 0.0000465100000000 ] - [ 0.0001363900000000, 0.0003455900000000, 0.0002430500000000 ] - [ -0.0001386100000000, -0.0002816500000000, -0.0002915400000000 ] - [ -0.0001506500000000, -0.0000343500000000, 0.0001840000000000 ] - [ 0.0002655700000000, 0.0000333300000000, 0.0001852900000000 ] - [ -0.0007839700000000, 0.0002667100000000, -0.0039633500000000 ] - [ 0.0010787400000000, -0.0023678100000000, 0.0159194800000000 ] - [ 0.0001282600000000, -0.0001640500000000, 0.0002778900000000 ] - [ 0.0002757300000000, 0.0000942400000000, 0.0002108300000000 ] - [ -0.0001861100000000, 0.0000985000000000, 0.0001876400000000 ] - [ 0.0000591200000000, -0.0001648100000000, 0.0002319600000000 ] - [ -0.0001605400000000, 0.0010205500000000, -0.0049310300000000 ] - [ 0.0002311500000000, 0.0002658300000000, 0.0000554100000000 ] - [ -0.0001351900000000, 0.0002686600000000, 0.0000310300000000 ] - [ 0.0002237400000000, -0.0002834300000000, 0.0000149800000000 ] - [ 0.0000765200000000, 0.0000282600000000, -0.0000785500000000 ] - [ 0.0002118000000000, -0.0000367200000000, -0.0000871900000000 ] - [ -0.0002120900000000, -0.0002738700000000, -0.0009581900000000 ] - [ 0.0002532600000000, 0.0000894200000000, -0.0000330700000000 ] - [ -0.0001557900000000, -0.0002736300000000, -0.0005060600000000 ] - [ 0.0001836000000000, 0.0000032500000000, -0.0000657200000000 ] - [ 0.0000524400000000, 0.0000585800000000, -0.0000664800000000 ] - [ -0.0020262900000000, -0.0000878400000000, -0.0005109700000000 ] - [ -0.0232619100000000, -0.0009456600000000, -0.4531079900000000 ] - [ 0.0004364400000000, -0.0011647600000000, -0.0000429300000000 ] - [ 0.0001170400000000, -0.0002313200000000, -0.0000409800000000 ] - [ 0.0001001000000000, 0.0002182100000000, -0.0000426200000000 ] - [ 0.0002651000000000, 0.0001778100000000, 0.0000318600000000 ] - [ 0.0001432000000000, -0.0000318900000000, -0.0000603600000000 ] - [ 0.0002841000000000, 0.0003906800000000, 0.0001271600000000 ] - [ -0.0032094000000000, -0.0020741000000000, -0.0059757900000000 ] - [ 0.0055552200000000, -0.0022146600000000, 0.0454739700000000 ] - [ 0.0006801000000000, -0.0001777900000000, 0.0001113800000000 ] - [ -0.0003329900000000, -0.0000712700000000, 0.0001404700000000 ] - [ 0.0007067600000000, 0.0001194100000000, 0.0002706000000000 ] - [ 0.0026597600000000, 0.0021928700000000, 0.0302334800000000 ] - [ -0.0006074300000000, 0.0005279600000000, 0.0003939400000000 ] - [ -0.0000852700000000, 0.0000598300000000, -0.0001740800000000 ] - [ 0.0004728000000000, -0.0000493300000000, -0.0001634100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004312700000000, 0.0025235100000000, 0.0064695700000000 ] - [ -0.0001216300000000, -0.0002352000000000, -0.0001917600000000 ] - [ 0.0003723100000000, -0.0002604100000000, 0.0000391900000000 ] - [ -0.0001407900000000, 0.0002592000000000, 0.0000540800000000 ] - [ 0.0011700500000000, 0.0009417800000000, -0.0015101700000000 ] - [ -0.0007669200000000, 0.0005523100000000, 0.0003415000000000 ] - [ 0.0005119400000000, -0.0003085400000000, -0.0000523200000000 ] - [ -0.0003165900000000, 0.0003236800000000, -0.0000265700000000 ] - [ 0.0001762300000000, -0.0000450900000000, 0.0001173300000000 ] - [ 0.0000053100000000, 0.0000716300000000, 0.0000990200000000 ] - [ -0.0003479900000000, -0.0010140900000000, 0.0013522600000000 ] - [ -0.0002069300000000, 0.0004115300000000, -0.0009964400000000 ] - [ 0.0000913000000000, -0.0000591000000000, 0.0000007100000000 ] - [ 0.0001167200000000, 0.0000988200000000, 0.0000080300000000 ] - [ -0.0003558100000000, 0.0003631700000000, 0.0001470200000000 ] - [ -0.0004816200000000, 0.0001222600000000, 0.0007945000000000 ] - [ -0.0007197800000000, 0.0003146100000000, -0.0004089500000000 ] - [ -0.0001887500000000, 0.0000179100000000, -0.0000009600000000 ] - [ 0.0003574800000000, 0.0001023000000000, 0.0000302700000000 ] - [ -0.0000884400000000, 0.0003136100000000, 0.0000135300000000 ] - [ -0.0246690000000000, -0.0024275400000000, -0.0381336000000000 ] - [ 0.0002205100000000, 0.0002054600000000, -0.0002856600000000 ] - [ 0.0001519400000000, -0.0002882700000000, -0.0002802500000000 ] - [ -0.0039475800000000, -0.0013310400000000, 0.0032867100000000 ] - [ -0.0003359200000000, -0.0010328900000000, 0.0004542100000000 ] - [ 0.0002256800000000, -0.0001066400000000, -0.0002522700000000 ] - [ -0.0000383200000000, -0.0000561900000000, -0.0002551200000000 ] - [ -0.0005896900000000, -0.0002766500000000, 0.0006220900000000 ] - [ 0.0006877500000000, 0.0010127700000000, 0.0015231900000000 ] - [ -0.0000750400000000, -0.0002076300000000, 0.0001084100000000 ] - [ 0.0002726700000000, -0.0001379200000000, 0.0000833400000000 ] - [ -0.0001165700000000, 0.0004866000000000, -0.0007034600000000 ] - [ -0.0000107100000000, -0.0001789700000000, -0.0001528700000000 ] - [ 0.0001976700000000, 0.0002208800000000, -0.0001598800000000 ] - [ 0.0013995900000000, -0.0002082200000000, 0.0040513100000000 ] - [ 0.0025728300000000, -0.0056490700000000, -0.0368215700000000 ] - [ -0.0000501200000000, 0.0001396700000000, 0.0003721100000000 ] - [ 0.0002319700000000, -0.0001751900000000, 0.0003774400000000 ] - [ -0.0000778800000000, -0.0004226200000000, 0.0006192400000000 ] - [ -0.0337458700000000, -0.0725238500000000, -0.1748099800000000 ] - [ 0.0001354800000000, 0.0004431900000000, -0.0000609700000000 ] - [ 0.0000422000000000, -0.0004779000000000, -0.0000940000000000 ] - [ -0.0000449100000000, -0.0006622200000000, -0.0003662900000000 ] - [ 0.0468684200000000, 0.0886227500000000, -0.1375379100000000 ] - [ 0.0004835000000000, -0.0002380100000000, 0.0000362500000000 ] - [ -0.0003001800000000, 0.0002224100000000, 0.0000590900000000 ] - [ 0.0006243800000000, 0.0001155600000000, -0.0001395000000000 ] - [ 0.0000375400000000, -0.0003065400000000, -0.0003164100000000 ] - [ -0.0002723200000000, -0.0000341800000000, 0.0001861100000000 ] - [ 0.0001483500000000, 0.0000331400000000, 0.0001839700000000 ] - [ 0.0003281500000000, -0.0001961400000000, 0.0043377400000000 ] - [ -0.0005450800000000, 0.0021157700000000, -0.0155267900000000 ] - [ -0.0005498500000000, -0.0000228900000000, 0.0001298700000000 ] - [ 0.0001330500000000, 0.0001015600000000, 0.0001994300000000 ] - [ -0.0002325600000000, 0.0000948700000000, 0.0002223700000000 ] - [ 0.0003572800000000, -0.0000363500000000, 0.0001777100000000 ] - [ -0.0002286500000000, -0.0015657100000000, 0.0049823800000000 ] - [ 0.0001586800000000, 0.0002665800000000, 0.0000016300000000 ] - [ -0.0002610400000000, 0.0002682200000000, 0.0000263300000000 ] - [ 0.0001636800000000, -0.0002548500000000, 0.0000426100000000 ] - [ -0.0002625700000000, 0.0000494200000000, -0.0000960600000000 ] - [ -0.0000423500000000, -0.0000407200000000, -0.0000898300000000 ] - [ 0.0000368200000000, 0.0001786600000000, 0.0007843400000000 ] - [ -0.0000465600000000, -0.0000344800000000, -0.0001351200000000 ] - [ 0.0000156000000000, 0.0001983300000000, 0.0003858100000000 ] - [ -0.0000402200000000, 0.0000709200000000, -0.0000544500000000 ] - [ -0.0002118700000000, 0.0000201000000000, -0.0000528600000000 ] - [ 0.0020517100000000, 0.0000036500000000, 0.0004210700000000 ] - [ 0.0170921700000000, -0.0128208200000000, 0.4477191000000000 ] - [ -0.0004215200000000, 0.0006818100000000, -0.0000433700000000 ] - [ -0.0001294700000000, -0.0002304300000000, -0.0000476000000000 ] - [ -0.0001022800000000, 0.0002435900000000, -0.0000449300000000 ] - [ -0.0001537300000000, -0.0001310500000000, -0.0001446600000000 ] - [ -0.0002714800000000, -0.0000068100000000, -0.0000524400000000 ] - [ -0.0001807700000000, -0.0004125400000000, -0.0002408400000000 ] - [ 0.0031809000000000, 0.0021797900000000, 0.0057945800000000 ] - [ -0.0069235000000000, 0.0027549900000000, -0.0453033800000000 ] - [ 0.0003922400000000, -0.0000085900000000, 0.0001816400000000 ] - [ -0.0007607100000000, -0.0001133500000000, 0.0001536800000000 ] - [ 0.0003618000000000, 0.0000525600000000, 0.0000228300000000 ] - [ -0.0032053800000000, -0.0022264300000000, -0.0305632100000000 ] - [ 0.0011873200000000, -0.0004247300000000, -0.0007319800000000 ] - [ -0.0004882300000000, 0.0000557700000000, -0.0001583600000000 ] - [ 0.0000746900000000, -0.0000655100000000, -0.0001708600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0058024900000000, -0.0027260500000000, 0.0002170700000000 ] - [ -0.0042063000000000, -0.0012640100000000, 0.0001092200000000 ] - [ -0.0041992300000000, -0.0010687000000000, 0.0001905100000000 ] - [ 0.0074145500000000, -0.0121848100000000, -0.0007839800000000 ] - [ -0.0035946000000000, 0.0002260100000000, 0.0005643600000000 ] - [ -0.0041427000000000, -0.0008796600000000, -0.0007289800000000 ] - [ -0.0030923200000000, -0.0060659300000000, 0.0000224800000000 ] - [ -0.0032132400000000, -0.0039279900000000, 0.0003592200000000 ] - [ 0.0199623800000000, 0.0040200600000000, -0.0108198600000000 ] - [ -0.0025305300000000, -0.0011502500000000, -0.0006109800000000 ] - [ -0.0039237800000000, 0.0006863900000000, 0.0001089600000000 ] - [ -0.0025734400000000, -0.0006215200000000, 0.0007108700000000 ] - [ 0.0199535400000000, 0.0059384600000000, 0.0124039200000000 ] - [ -0.0029542900000000, -0.0010339000000000, 0.0011173400000000 ] - [ -0.0042010500000000, 0.0007988200000000, -0.0006200500000000 ] - [ -0.0025750500000000, -0.0010072100000000, -0.0002981000000000 ] - [ 0.0159071400000000, -0.0006945300000000, 0.0010693800000000 ] - [ -0.0041567300000000, 0.0007618900000000, -0.0001889900000000 ] - [ -0.0038466900000000, -0.0007499900000000, 0.0001881100000000 ] - [ 0.0059149300000000, -0.0108828300000000, -0.0006582500000000 ] - [ -0.0035203800000000, 0.0037159500000000, -0.0009611700000000 ] - [ 0.0267515600000000, -0.0057559600000000, -0.0020322700000000 ] - [ -0.0038462300000000, -0.0006190600000000, -0.0007513200000000 ] - [ 0.0006104000000000, 0.0051991800000000, 0.0005101900000000 ] - [ 0.0232119200000000, -0.0017968900000000, -0.0105910500000000 ] - [ -0.0035469300000000, 0.0006391900000000, -0.0001419200000000 ] - [ -0.0041159900000000, -0.0008442900000000, -0.0003574400000000 ] - [ 0.0049040600000000, 0.0045296800000000, -0.0023492000000000 ] - [ 0.0096170300000000, -0.0040398900000000, -0.0014015100000000 ] - [ -0.0041193500000000, 0.0006981900000000, -0.0006617300000000 ] - [ -0.0040377500000000, -0.0011561300000000, 0.0009223100000000 ] - [ 0.0068944500000000, 0.0048908500000000, 0.0044909200000000 ] - [ 0.0098798000000000, 0.0086737200000000, -0.0009257200000000 ] - [ -0.0023648200000000, 0.0015620600000000, -0.0000464300000000 ] - [ -0.0042695100000000, 0.0015058700000000, -0.0003355800000000 ] - [ -0.0032533500000000, 0.0021299100000000, -0.0000741800000000 ] - [ 0.0078641000000000, 0.0041044900000000, 0.0036026100000000 ] - [ -0.0052998500000000, 0.0013308400000000, -0.0006733700000000 ] - [ -0.0038507700000000, -0.0007129100000000, 0.0005056900000000 ] - [ -0.0046415200000000, 0.0005061300000000, 0.0009879500000000 ] - [ 0.0081461000000000, 0.0039907100000000, -0.0024541800000000 ] - [ -0.0060723600000000, 0.0010504100000000, 0.0011657200000000 ] - [ -0.0038867300000000, -0.0011602400000000, -0.0004549200000000 ] - [ -0.0053393500000000, 0.0005230500000000, -0.0003615900000000 ] - [ 0.0234088100000000, 0.0031656200000000, -0.0038599800000000 ] - [ -0.0044740900000000, 0.0014376600000000, -0.0002553200000000 ] - [ -0.0034381300000000, -0.0000565600000000, 0.0003851000000000 ] - [ -0.0039207200000000, 0.0004329900000000, 0.0000962700000000 ] - [ 0.0009058800000000, -0.0058068200000000, -0.0027640100000000 ] - [ 0.0025038300000000, -0.0014480900000000, 0.0002594800000000 ] - [ 0.0022881300000000, -0.0001718700000000, 0.0001805100000000 ] - [ 0.0021787000000000, -0.0005101500000000, 0.0001615700000000 ] - [ -0.0084926000000000, -0.0052797000000000, 0.0007997000000000 ] - [ 0.0025069600000000, 0.0001779900000000, 0.0002699700000000 ] - [ 0.0022458400000000, 0.0001157800000000, 0.0001166900000000 ] - [ 0.0018825400000000, 0.0091806400000000, -0.0003344600000000 ] - [ 0.0032568500000000, 0.0010234100000000, 0.0003881200000000 ] - [ 0.0025743300000000, 0.0003661900000000, -0.0000367000000000 ] - [ 0.0022302500000000, 0.0007257700000000, 0.0001184000000000 ] - [ -0.0058137000000000, 0.0039593900000000, 0.0000875300000000 ] - [ 0.0037076800000000, 0.0208112100000000, -0.0036105600000000 ] - [ 0.0040948900000000, 0.0019225300000000, -0.0001616900000000 ] - [ 0.0050358200000000, -0.0000314200000000, -0.0001661100000000 ] - [ 0.0050891300000000, 0.0031500000000000, 0.0002799000000000 ] - [ -0.0185799700000000, 0.0278498100000000, 0.0037855600000000 ] - [ 0.0051450600000000, -0.0002665900000000, 0.0000528500000000 ] - [ 0.0050147500000000, 0.0004439100000000, -0.0002168600000000 ] - [ -0.0000952800000000, -0.0136249700000000, -0.0033452300000000 ] - [ 0.0046060100000000, -0.0020620500000000, 0.0001776500000000 ] - [ 0.0049181600000000, -0.0004440000000000, -0.0002396400000000 ] - [ 0.0053415600000000, -0.0031125800000000, 0.0002013400000000 ] - [ -0.0159389800000000, -0.0340006600000000, 0.0031455400000000 ] - [ -0.1684408800000000, -0.0072406600000000, 0.0125292800000000 ] - [ 0.0072362400000000, -0.0006341900000000, -0.0002786100000000 ] - [ 0.0085771000000000, -0.0000886300000000, 0.0001749800000000 ] - [ -0.0004430000000000, -0.0004941700000000, -0.0001548300000000 ] - [ 0.0322672700000000, -0.0148425800000000, -0.0011468800000000 ] - [ 0.0087211400000000, -0.0001029500000000, 0.0002690400000000 ] - [ 0.0089668100000000, -0.0000114100000000, 0.0000342700000000 ] - [ -0.0221303200000000, 0.0040635400000000, 0.0001275900000000 ] - [ 0.0091490400000000, 0.0002002200000000, -0.0005036300000000 ] - [ 0.0076806900000000, 0.0003446100000000, 0.0001687200000000 ] - [ 0.0302455400000000, 0.0103077500000000, 0.0039686400000000 ] - [ 0.0001340400000000, 0.0034119200000000, -0.0006682400000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0063131300000000, 0.0031659600000000, -0.0001483400000000 ] - [ 0.0036766200000000, 0.0008027200000000, -0.0000400600000000 ] - [ 0.0047341100000000, 0.0006294800000000, -0.0001239100000000 ] - [ -0.0079628900000000, 0.0126718700000000, 0.0008327700000000 ] - [ 0.0044333100000000, 0.0003921400000000, -0.0006537000000000 ] - [ 0.0033009400000000, 0.0002550100000000, 0.0006382700000000 ] - [ 0.0039018000000000, 0.0054563200000000, -0.0000944700000000 ] - [ 0.0023675700000000, 0.0045737000000000, -0.0004526600000000 ] - [ -0.0205517700000000, -0.0045968700000000, 0.0116622000000000 ] - [ 0.0023376900000000, 0.0012484900000000, 0.0007958900000000 ] - [ 0.0041062200000000, -0.0005900100000000, 0.0000738900000000 ] - [ 0.0023991700000000, 0.0005172600000000, -0.0005217600000000 ] - [ -0.0202993400000000, -0.0065390100000000, -0.0128674000000000 ] - [ 0.0029770000000000, 0.0011964900000000, -0.0010759300000000 ] - [ 0.0041721400000000, -0.0006411000000000, 0.0006664100000000 ] - [ 0.0026172700000000, 0.0008383000000000, 0.0003322300000000 ] - [ -0.0150623900000000, 0.0001711800000000, -0.0010350700000000 ] - [ 0.0035600000000000, -0.0006622800000000, 0.0001956500000000 ] - [ 0.0044481300000000, 0.0008537300000000, -0.0001836300000000 ] - [ -0.0064506200000000, 0.0107582600000000, 0.0006669900000000 ] - [ 0.0027837700000000, -0.0041450200000000, 0.0010626200000000 ] - [ -0.0265291200000000, 0.0063928600000000, 0.0015100000000000 ] - [ 0.0039651900000000, 0.0000347600000000, 0.0001493900000000 ] - [ -0.0006957800000000, -0.0045855400000000, -0.0011154300000000 ] - [ -0.0226208500000000, 0.0019669300000000, 0.0093247700000000 ] - [ 0.0038096200000000, -0.0008003600000000, -0.0003577300000000 ] - [ 0.0038516100000000, 0.0006840500000000, -0.0001429100000000 ] - [ -0.0046007000000000, -0.0043707600000000, 0.0018536500000000 ] - [ -0.0084588600000000, 0.0044714200000000, 0.0019368000000000 ] - [ 0.0037926300000000, -0.0010241300000000, 0.0008498700000000 ] - [ 0.0043640300000000, 0.0008326100000000, -0.0007347900000000 ] - [ -0.0071897000000000, -0.0045489800000000, -0.0043060300000000 ] - [ -0.0110123000000000, -0.0087634400000000, 0.0004914700000000 ] - [ 0.0025614400000000, -0.0011549800000000, -0.0002657300000000 ] - [ 0.0040615300000000, -0.0010830900000000, 0.0000233400000000 ] - [ 0.0034665500000000, -0.0025442500000000, -0.0002386800000000 ] - [ -0.0082121700000000, -0.0037777700000000, -0.0028100800000000 ] - [ 0.0055874400000000, -0.0016850600000000, 0.0014668600000000 ] - [ 0.0035736800000000, 0.0003689000000000, 0.0002786500000000 ] - [ 0.0049103900000000, -0.0001570300000000, -0.0001970100000000 ] - [ -0.0080960600000000, -0.0030677900000000, 0.0022670300000000 ] - [ 0.0059638200000000, -0.0019777900000000, -0.0013425600000000 ] - [ 0.0040142100000000, 0.0002447000000000, 0.0002907800000000 ] - [ 0.0052021700000000, 0.0003939200000000, 0.0001926100000000 ] - [ -0.0227779100000000, -0.0035255600000000, 0.0039594000000000 ] - [ 0.0037390100000000, -0.0009873400000000, 0.0003623300000000 ] - [ 0.0041854700000000, 0.0005149800000000, -0.0002799200000000 ] - [ 0.0038021500000000, -0.0010211200000000, -0.0006979100000000 ] - [ -0.0013145300000000, 0.0057812900000000, 0.0031729100000000 ] - [ -0.0020787500000000, 0.0015221700000000, 0.0001070800000000 ] - [ -0.0027077900000000, 0.0002362800000000, 0.0001866000000000 ] - [ -0.0017608800000000, 0.0004425400000000, 0.0002056800000000 ] - [ 0.0080361800000000, 0.0050838600000000, -0.0003936300000000 ] - [ -0.0020948600000000, 0.0000180400000000, 0.0001409400000000 ] - [ -0.0026575600000000, 0.0000821200000000, 0.0002940500000000 ] - [ -0.0014817400000000, -0.0092953900000000, 0.0007443900000000 ] - [ -0.0036445200000000, -0.0015561400000000, -0.0003309800000000 ] - [ -0.0021866300000000, 0.0001727800000000, 0.0000942500000000 ] - [ -0.0026148700000000, -0.0001925900000000, -0.0000607000000000 ] - [ 0.0062254400000000, -0.0045035200000000, -0.0000348200000000 ] - [ -0.0039012900000000, -0.0208255900000000, 0.0034991600000000 ] - [ -0.0038941700000000, -0.0020207800000000, -0.0000161300000000 ] - [ -0.0052268500000000, -0.0000478400000000, -0.0000127300000000 ] - [ -0.0048996400000000, -0.0030464100000000, -0.0004542800000000 ] - [ 0.0181676400000000, -0.0277716200000000, -0.0038733300000000 ] - [ -0.0049816000000000, 0.0003426600000000, -0.0001750400000000 ] - [ -0.0051775700000000, -0.0003709500000000, 0.0000959300000000 ] - [ 0.0002192200000000, 0.0134923200000000, 0.0032387300000000 ] - [ -0.0045971300000000, 0.0025116200000000, -0.0002663700000000 ] - [ -0.0049329400000000, -0.0000191100000000, 0.0001506800000000 ] - [ -0.0053298500000000, 0.0026734200000000, -0.0002879800000000 ] - [ 0.0161914900000000, 0.0346819500000000, -0.0032695300000000 ] - [ 0.1686557800000000, 0.0080659900000000, -0.0124041400000000 ] - [ -0.0073225500000000, 0.0006049600000000, 0.0001661200000000 ] - [ -0.0084828200000000, 0.0000529000000000, -0.0002882100000000 ] - [ 0.0003005300000000, 0.0005189600000000, 0.0000387100000000 ] - [ -0.0329473900000000, 0.0148494000000000, 0.0014290700000000 ] - [ -0.0076645300000000, -0.0000810800000000, 0.0000206800000000 ] - [ -0.0100281500000000, -0.0001722100000000, 0.0002546300000000 ] - [ 0.0231776700000000, -0.0039793200000000, 0.0001820100000000 ] - [ -0.0097039700000000, -0.0003202000000000, 0.0001714100000000 ] - [ -0.0071258600000000, -0.0002206900000000, -0.0004986200000000 ] - [ -0.0311449800000000, -0.0103441500000000, -0.0043699900000000 ] - [ 0.0004701000000000, -0.0035524400000000, 0.0003453200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010172300000000, 0.0015115100000000, 0.0000664700000000 ] - [ -0.0003392100000000, -0.0002452100000000, 0.0000380900000000 ] - [ -0.0008910200000000, -0.0007721400000000, 0.0001798400000000 ] - [ -0.0015177600000000, -0.0126639100000000, -0.0001301500000000 ] - [ 0.0001849900000000, 0.0004396500000000, -0.0000334200000000 ] - [ -0.0008222300000000, -0.0002726500000000, -0.0000645900000000 ] - [ -0.0065754200000000, -0.0063300100000000, -0.0006994900000000 ] - [ -0.0025097900000000, -0.0029988100000000, 0.0002843000000000 ] - [ 0.0043711200000000, 0.0146835900000000, -0.0111241000000000 ] - [ 0.0002258400000000, -0.0013251300000000, -0.0005176200000000 ] - [ 0.0000777100000000, 0.0001463900000000, 0.0001314800000000 ] - [ -0.0003871900000000, -0.0009729700000000, 0.0001348700000000 ] - [ 0.0025974400000000, 0.0151914200000000, 0.0104673200000000 ] - [ -0.0002441300000000, -0.0009360700000000, 0.0004982400000000 ] - [ -0.0000760300000000, 0.0001577400000000, -0.0000046900000000 ] - [ -0.0008014000000000, -0.0011591600000000, 0.0000943400000000 ] - [ 0.0054872300000000, 0.0076065700000000, -0.0033118600000000 ] - [ -0.0003458200000000, -0.0001423300000000, -0.0000095000000000 ] - [ 0.0003248300000000, 0.0001672500000000, -0.0000063300000000 ] - [ -0.0068939700000000, -0.0036507200000000, 0.0006401600000000 ] - [ 0.0023814300000000, 0.0002476200000000, 0.0013878300000000 ] - [ -0.0029438600000000, 0.0085421800000000, 0.0017845000000000 ] - [ 0.0000079400000000, -0.0003353200000000, -0.0003027800000000 ] - [ 0.0056060400000000, -0.0039902400000000, -0.0025772700000000 ] - [ -0.0052793000000000, 0.0150204900000000, -0.0019054100000000 ] - [ 0.0001927800000000, -0.0001240800000000, -0.0002460300000000 ] - [ -0.0002244200000000, -0.0000431600000000, -0.0002771300000000 ] - [ -0.0017227000000000, -0.0119252100000000, 0.0030613300000000 ] - [ -0.0073548300000000, 0.0124756200000000, 0.0017354300000000 ] - [ -0.0000660600000000, -0.0001962500000000, 0.0000995800000000 ] - [ 0.0000208100000000, -0.0001012800000000, 0.0001471400000000 ] - [ -0.0017286200000000, -0.0122177800000000, -0.0053841800000000 ] - [ 0.0116565000000000, 0.0149888200000000, 0.0007069400000000 ] - [ 0.0022236400000000, 0.0005390900000000, -0.0002666600000000 ] - [ 0.0000022000000000, 0.0002296100000000, -0.0001449100000000 ] - [ 0.0007399800000000, -0.0009122000000000, -0.0002179500000000 ] - [ 0.0076909200000000, -0.0076521700000000, -0.0055733200000000 ] - [ 0.0003238400000000, 0.0022909000000000, 0.0000770800000000 ] - [ -0.0001267800000000, -0.0002708500000000, 0.0003862900000000 ] - [ 0.0008564200000000, 0.0007458300000000, 0.0003629300000000 ] - [ 0.0081904800000000, -0.0087234700000000, 0.0054681300000000 ] - [ -0.0009149000000000, 0.0022519400000000, 0.0005573300000000 ] - [ 0.0000350700000000, -0.0005908600000000, -0.0001210800000000 ] - [ 0.0005944000000000, 0.0011279300000000, 0.0000511600000000 ] - [ 0.0040064300000000, 0.0183385300000000, -0.0015630100000000 ] - [ -0.0002130600000000, 0.0007064200000000, 0.0001979600000000 ] - [ 0.0003810500000000, 0.0001871400000000, 0.0000429800000000 ] - [ 0.0002452000000000, -0.0001733300000000, -0.0003200300000000 ] - [ -0.0049560100000000, -0.0045992900000000, 0.0015034400000000 ] - [ -0.0021843700000000, 0.0004504100000000, 0.0001844500000000 ] - [ -0.0003206700000000, 0.0000281500000000, 0.0001881800000000 ] - [ -0.0003576000000000, 0.0001559500000000, 0.0001552700000000 ] - [ -0.0055103400000000, 0.0024302400000000, -0.0007838300000000 ] - [ 0.0003032000000000, 0.0002018200000000, 0.0002035100000000 ] - [ -0.0002220400000000, 0.0000585900000000, 0.0002042000000000 ] - [ 0.0101556200000000, 0.0063039600000000, 0.0003073600000000 ] - [ 0.0012152000000000, -0.0005674400000000, 0.0002087100000000 ] - [ 0.0002391100000000, 0.0002717600000000, 0.0000268200000000 ] - [ 0.0006374500000000, 0.0002838200000000, 0.0000864000000000 ] - [ 0.0039846400000000, 0.0112594600000000, 0.0002620600000000 ] - [ 0.0122185400000000, 0.0177693600000000, 0.0040566200000000 ] - [ 0.0015841900000000, 0.0019857500000000, 0.0001173400000000 ] - [ 0.0000513700000000, -0.0001643700000000, -0.0001181300000000 ] - [ 0.0012512700000000, 0.0007572700000000, -0.0003571500000000 ] - [ 0.0197261700000000, -0.0065271000000000, 0.0041907500000000 ] - [ -0.0001034500000000, 0.0000282200000000, -0.0000016000000000 ] - [ 0.0000432000000000, 0.0000959900000000, -0.0000956900000000 ] - [ -0.0101789800000000, 0.0295983400000000, 0.0038760600000000 ] - [ -0.0014995900000000, -0.0004612900000000, 0.0001104700000000 ] - [ -0.0000358800000000, -0.0001014700000000, -0.0000305300000000 ] - [ -0.0009734100000000, -0.0026813600000000, -0.0004446700000000 ] - [ -0.0388088800000000, 0.0327075400000000, -0.0022110300000000 ] - [ -0.0072654700000000, -0.1446860300000000, -0.0024772100000000 ] - [ -0.0006933200000000, 0.0005889200000000, -0.0001113200000000 ] - [ 0.0001415100000000, -0.0001172300000000, -0.0000485600000000 ] - [ 0.0004616400000000, 0.0067841300000000, 0.0004424900000000 ] - [ -0.0112198500000000, -0.0130736000000000, -0.0000050100000000 ] - [ 0.0005477700000000, 0.0000409200000000, 0.0001441900000000 ] - [ -0.0002387900000000, -0.0008878000000000, 0.0002224000000000 ] - [ 0.0049273200000000, 0.0250736200000000, -0.0027824400000000 ] - [ -0.0002723400000000, -0.0009209000000000, -0.0001351700000000 ] - [ 0.0006138800000000, 0.0006508500000000, -0.0000600300000000 ] - [ 0.0144583300000000, -0.0122545900000000, 0.0000095500000000 ] - [ -0.0031480200000000, 0.0106465000000000, -0.0006381000000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015713000000000, -0.0010265500000000, 0.0000045900000000 ] - [ -0.0001987000000000, -0.0002270200000000, 0.0000346000000000 ] - [ 0.0014285700000000, 0.0002898500000000, -0.0001054600000000 ] - [ 0.0010258800000000, 0.0131091100000000, 0.0001913300000000 ] - [ 0.0006497600000000, 0.0001873300000000, -0.0000532000000000 ] - [ -0.0000129000000000, -0.0003447700000000, -0.0000194000000000 ] - [ 0.0074020600000000, 0.0056573200000000, 0.0006276200000000 ] - [ 0.0016971100000000, 0.0036044500000000, -0.0003643400000000 ] - [ -0.0045765300000000, -0.0149160200000000, 0.0115864400000000 ] - [ -0.0003966200000000, 0.0014277000000000, 0.0007053200000000 ] - [ 0.0001039700000000, -0.0000404900000000, 0.0000602400000000 ] - [ 0.0001996500000000, 0.0008784000000000, 0.0000539400000000 ] - [ -0.0030049800000000, -0.0157189500000000, -0.0109055000000000 ] - [ 0.0002840800000000, 0.0010989900000000, -0.0004510400000000 ] - [ 0.0000463600000000, 0.0000056500000000, 0.0000503400000000 ] - [ 0.0008245600000000, 0.0010090500000000, -0.0000457400000000 ] - [ -0.0042647500000000, -0.0088966800000000, 0.0034300700000000 ] - [ -0.0002523600000000, 0.0002402100000000, 0.0000141200000000 ] - [ 0.0002773400000000, -0.0000645800000000, 0.0000098900000000 ] - [ 0.0062709800000000, 0.0036470700000000, -0.0006032500000000 ] - [ -0.0031624600000000, -0.0007349900000000, -0.0012872800000000 ] - [ 0.0030471400000000, -0.0076765700000000, -0.0021504000000000 ] - [ 0.0001010600000000, -0.0002540600000000, -0.0003043300000000 ] - [ -0.0057557700000000, 0.0045597300000000, 0.0019697000000000 ] - [ 0.0050123600000000, -0.0148163700000000, 0.0014264100000000 ] - [ 0.0000731200000000, -0.0000361400000000, -0.0002535900000000 ] - [ -0.0000415400000000, -0.0001188700000000, -0.0002242800000000 ] - [ 0.0019449100000000, 0.0120819500000000, -0.0035771000000000 ] - [ 0.0077965400000000, -0.0120717100000000, -0.0014959400000000 ] - [ -0.0002556700000000, -0.0001323500000000, 0.0000914900000000 ] - [ 0.0003011700000000, -0.0002284600000000, 0.0000442100000000 ] - [ 0.0013697900000000, 0.0125769600000000, 0.0056006300000000 ] - [ -0.0120438200000000, -0.0150871900000000, -0.0010777600000000 ] - [ -0.0020115700000000, -0.0001218100000000, -0.0000462000000000 ] - [ -0.0002038700000000, 0.0001708800000000, -0.0001668600000000 ] - [ -0.0005419400000000, 0.0005029900000000, -0.0000931500000000 ] - [ -0.0078903400000000, 0.0079646600000000, 0.0063061200000000 ] - [ -0.0000567700000000, -0.0026178600000000, 0.0006824400000000 ] - [ -0.0001494800000000, -0.0000593000000000, 0.0003766000000000 ] - [ -0.0005774900000000, -0.0004258900000000, 0.0003948300000000 ] - [ -0.0080106900000000, 0.0096305500000000, -0.0056260100000000 ] - [ 0.0007824400000000, -0.0031672000000000, -0.0007222600000000 ] - [ 0.0000880300000000, -0.0003247000000000, -0.0000438200000000 ] - [ -0.0007133500000000, -0.0002233300000000, -0.0002099000000000 ] - [ -0.0032644000000000, -0.0168858100000000, 0.0012408000000000 ] - [ -0.0005461400000000, -0.0002431500000000, -0.0000924000000000 ] - [ 0.0003832800000000, 0.0002710100000000, 0.0000607100000000 ] - [ -0.0003526300000000, -0.0004119100000000, -0.0002877200000000 ] - [ 0.0045408700000000, 0.0044910000000000, -0.0011375000000000 ] - [ 0.0026010700000000, -0.0003916800000000, 0.0001833700000000 ] - [ -0.0000984100000000, 0.0000424000000000, 0.0001816600000000 ] - [ 0.0007805100000000, -0.0002207100000000, 0.0002140200000000 ] - [ 0.0051278800000000, -0.0025842700000000, 0.0011940400000000 ] - [ 0.0001058500000000, -0.0000049800000000, 0.0002071600000000 ] - [ -0.0001883500000000, 0.0001368500000000, 0.0002057300000000 ] - [ -0.0096314900000000, -0.0064912300000000, 0.0001069000000000 ] - [ -0.0016218600000000, 0.0000187600000000, -0.0001542200000000 ] - [ 0.0001526700000000, 0.0002676300000000, 0.0000303600000000 ] - [ -0.0010269900000000, 0.0002574600000000, -0.0000285900000000 ] - [ -0.0036541900000000, -0.0118804100000000, -0.0002102300000000 ] - [ -0.0125113500000000, -0.0176031400000000, -0.0043182100000000 ] - [ -0.0014194100000000, -0.0020542800000000, -0.0002984400000000 ] - [ -0.0002304500000000, 0.0000859000000000, -0.0000595600000000 ] - [ -0.0010743900000000, -0.0007045500000000, 0.0001779400000000 ] - [ -0.0198151400000000, 0.0061861900000000, -0.0043455100000000 ] - [ 0.0002542000000000, 0.0000473100000000, -0.0001184200000000 ] - [ -0.0001954100000000, -0.0000168600000000, -0.0000242300000000 ] - [ 0.0105064800000000, -0.0298530100000000, -0.0040077900000000 ] - [ 0.0015034500000000, 0.0009461400000000, -0.0002002300000000 ] - [ 0.0000392000000000, -0.0003585900000000, -0.0000584800000000 ] - [ 0.0009707900000000, 0.0022044200000000, 0.0003562400000000 ] - [ 0.0381839400000000, -0.0318811300000000, 0.0020418500000000 ] - [ 0.0080048600000000, 0.1436308600000000, 0.0028167400000000 ] - [ 0.0005693200000000, -0.0006304200000000, -0.0000017200000000 ] - [ -0.0000235800000000, 0.0000788500000000, -0.0000646600000000 ] - [ -0.0005284600000000, -0.0067627000000000, -0.0005549200000000 ] - [ 0.0100727600000000, 0.0134282300000000, 0.0003021400000000 ] - [ 0.0005336700000000, -0.0002244000000000, 0.0001502300000000 ] - [ -0.0008375100000000, 0.0007032200000000, 0.0000721800000000 ] - [ -0.0038343000000000, -0.0248725300000000, 0.0030633400000000 ] - [ -0.0002966300000000, 0.0008067100000000, -0.0001973900000000 ] - [ -0.0000480100000000, -0.0005408800000000, -0.0002732200000000 ] - [ -0.0149652900000000, 0.0124444100000000, -0.0003165300000000 ] - [ 0.0036570000000000, -0.0107417000000000, 0.0003104600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002533900000000, 0.0004546000000000, 0.0010688300000000 ] - [ -0.0003943300000000, -0.0002521200000000, 0.0000383900000000 ] - [ 0.0000341300000000, -0.0003708500000000, -0.0000300100000000 ] - [ -0.0001335100000000, 0.0001763500000000, -0.0047890800000000 ] - [ 0.0002626500000000, 0.0003525600000000, -0.0000303800000000 ] - [ -0.0005164900000000, -0.0002030900000000, -0.0000432200000000 ] - [ -0.0020034300000000, -0.0009851400000000, -0.0045571500000000 ] - [ -0.0001332300000000, 0.0004456400000000, 0.0004679000000000 ] - [ -0.0062824000000000, -0.0019981200000000, 0.0063503100000000 ] - [ -0.0000942700000000, 0.0000217000000000, 0.0001511900000000 ] - [ -0.0000125500000000, 0.0000836700000000, 0.0001044800000000 ] - [ -0.0002548600000000, -0.0000456300000000, 0.0001150800000000 ] - [ 0.0033593400000000, 0.0084165800000000, 0.0088935300000000 ] - [ -0.0000904800000000, -0.0000315600000000, 0.0000182900000000 ] - [ -0.0001347200000000, 0.0001142500000000, -0.0000062900000000 ] - [ -0.0002790400000000, -0.0002147200000000, 0.0000651500000000 ] - [ -0.0005681600000000, 0.0004578300000000, 0.0073336300000000 ] - [ -0.0004284800000000, 0.0000640800000000, -0.0000072800000000 ] - [ 0.0001896700000000, 0.0000271500000000, 0.0000078600000000 ] - [ -0.0028640200000000, 0.0005276800000000, -0.0049116600000000 ] - [ -0.0002207300000000, -0.0004688500000000, -0.0005753300000000 ] - [ -0.0021390500000000, 0.0007591200000000, -0.0068535300000000 ] - [ -0.0000506400000000, -0.0003023800000000, -0.0003126900000000 ] - [ -0.0008033200000000, 0.0006376600000000, -0.0000712600000000 ] - [ -0.0085365200000000, 0.0029176900000000, 0.0061667200000000 ] - [ 0.0000234300000000, -0.0000687100000000, -0.0002457500000000 ] - [ -0.0002417700000000, -0.0000811800000000, -0.0002407300000000 ] - [ 0.0000866700000000, 0.0003965600000000, -0.0001790000000000 ] - [ -0.0060090400000000, 0.0013225500000000, 0.0017685500000000 ] - [ -0.0002775800000000, -0.0001415000000000, 0.0000719000000000 ] - [ 0.0000371000000000, -0.0001741000000000, 0.0001161800000000 ] - [ 0.0000473200000000, 0.0002419600000000, 0.0002240700000000 ] - [ -0.0012556500000000, 0.0003596800000000, 0.0079574600000000 ] - [ 0.0001311200000000, 0.0001226200000000, -0.0001487100000000 ] - [ -0.0002002700000000, 0.0002259500000000, -0.0001532300000000 ] - [ 0.0000545800000000, -0.0002814800000000, -0.0001503600000000 ] - [ 0.0001401400000000, 0.0002108600000000, 0.0028555800000000 ] - [ 0.0000770000000000, -0.0003772400000000, 0.0003725300000000 ] - [ -0.0002569500000000, -0.0002031300000000, 0.0004022100000000 ] - [ 0.0000652600000000, 0.0000170000000000, 0.0006052900000000 ] - [ -0.0002167700000000, 0.0011663100000000, -0.0013581000000000 ] - [ 0.0001343900000000, -0.0002516100000000, 0.0006662300000000 ] - [ -0.0000663300000000, -0.0004982700000000, -0.0001037700000000 ] - [ 0.0000873800000000, 0.0007025600000000, 0.0001607800000000 ] - [ -0.0005647800000000, -0.0054158600000000, 0.0054739500000000 ] - [ -0.0004363400000000, 0.0002446300000000, 0.0000326800000000 ] - [ 0.0002576800000000, 0.0002130400000000, 0.0000617100000000 ] - [ -0.0001860200000000, -0.0002933200000000, -0.0002909100000000 ] - [ -0.0040691200000000, 0.0017444600000000, 0.0058719200000000 ] - [ 0.0004765900000000, -0.0001055500000000, 0.0002133100000000 ] - [ -0.0001559000000000, 0.0000379200000000, 0.0001860100000000 ] - [ 0.0002947900000000, 0.0000139700000000, 0.0001816300000000 ] - [ 0.0000439800000000, -0.0003450600000000, 0.0088487800000000 ] - [ 0.0002897300000000, 0.0001042400000000, 0.0002053200000000 ] - [ -0.0001396200000000, 0.0000980300000000, 0.0002035000000000 ] - [ -0.0003914100000000, -0.0004417600000000, -0.0023801400000000 ] - [ -0.0001058700000000, -0.0004492500000000, 0.0008815400000000 ] - [ 0.0002650200000000, 0.0002695100000000, 0.0000274300000000 ] - [ -0.0001023300000000, 0.0002281600000000, 0.0000495400000000 ] - [ 0.0000903400000000, 0.0000585100000000, -0.0022338600000000 ] - [ 0.0031558200000000, -0.0019619700000000, 0.0307441400000000 ] - [ 0.0000205100000000, 0.0001220200000000, -0.0000629800000000 ] - [ 0.0000714100000000, -0.0000684100000000, -0.0000985300000000 ] - [ 0.0004276600000000, -0.0001246900000000, -0.0002049300000000 ] - [ 0.0116468000000000, -0.0043957500000000, 0.0438813200000000 ] - [ 0.0002300100000000, 0.0000371800000000, -0.0000615700000000 ] - [ 0.0000795200000000, 0.0000338500000000, -0.0000674900000000 ] - [ 0.0003319200000000, -0.0015149000000000, -0.0006851700000000 ] - [ -0.0001663500000000, 0.0002831900000000, 0.0000445300000000 ] - [ 0.0001337000000000, -0.0002038600000000, -0.0000489200000000 ] - [ -0.0000671400000000, -0.0002105800000000, 0.0001404300000000 ] - [ 0.0032012500000000, -0.0045981500000000, -0.0059323900000000 ] - [ 0.0125177900000000, -0.0025178700000000, -0.0901304800000000 ] - [ 0.0001778700000000, 0.0000366600000000, -0.0000640900000000 ] - [ 0.0002806300000000, -0.0000261600000000, -0.0000482500000000 ] - [ 0.0000508400000000, 0.0005288300000000, -0.0000086900000000 ] - [ -0.0020454200000000, 0.0001623500000000, -0.0094942200000000 ] - [ 0.0007785900000000, -0.0000819600000000, 0.0001483300000000 ] - [ -0.0002555200000000, -0.0001695500000000, 0.0000876600000000 ] - [ -0.0004903900000000, 0.0046721000000000, 0.0030104400000000 ] - [ -0.0000856300000000, -0.0001439600000000, -0.0001757200000000 ] - [ 0.0006267800000000, 0.0001178100000000, -0.0001457100000000 ] - [ 0.0033347200000000, 0.0005591600000000, -0.0095751600000000 ] - [ -0.0000410700000000, 0.0002300200000000, 0.0002004300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002667300000000, 0.0000056200000000, -0.0010025400000000 ] - [ -0.0001401900000000, -0.0002116100000000, 0.0000309700000000 ] - [ 0.0004947000000000, -0.0000875000000000, 0.0000983100000000 ] - [ -0.0003795200000000, 0.0003015400000000, 0.0048602900000000 ] - [ 0.0005764200000000, 0.0002681000000000, -0.0000594600000000 ] - [ -0.0003315500000000, -0.0004160200000000, -0.0000467200000000 ] - [ 0.0028470600000000, 0.0003566900000000, 0.0044708300000000 ] - [ -0.0007013200000000, 0.0001752000000000, -0.0005557600000000 ] - [ 0.0060227800000000, 0.0016678200000000, -0.0058511300000000 ] - [ -0.0000884500000000, 0.0000751600000000, 0.0000302900000000 ] - [ 0.0001931600000000, 0.0000157400000000, 0.0000812000000000 ] - [ 0.0000698000000000, -0.0000569000000000, 0.0000708300000000 ] - [ -0.0039022500000000, -0.0091604500000000, -0.0094644300000000 ] - [ 0.0001225100000000, 0.0001926200000000, 0.0000254700000000 ] - [ 0.0001014600000000, 0.0000460900000000, 0.0000493700000000 ] - [ 0.0003115600000000, 0.0000500800000000, -0.0000247200000000 ] - [ 0.0011738200000000, -0.0005204300000000, -0.0073232500000000 ] - [ -0.0001715100000000, 0.0000370700000000, 0.0000127100000000 ] - [ 0.0004112200000000, 0.0000796400000000, -0.0000040300000000 ] - [ 0.0021948100000000, -0.0006896900000000, 0.0048925700000000 ] - [ -0.0005175300000000, 0.0000165600000000, 0.0006918300000000 ] - [ 0.0022192200000000, 0.0000601500000000, 0.0071608200000000 ] - [ 0.0001701300000000, -0.0002829900000000, -0.0002892800000000 ] - [ 0.0007041800000000, -0.0000652900000000, -0.0005399800000000 ] - [ 0.0088880500000000, -0.0027312900000000, -0.0072466100000000 ] - [ 0.0002391700000000, -0.0000928800000000, -0.0002549100000000 ] - [ -0.0000262800000000, -0.0000822000000000, -0.0002619300000000 ] - [ 0.0001863400000000, -0.0002602600000000, -0.0003022800000000 ] - [ 0.0064418900000000, -0.0009100700000000, -0.0013037400000000 ] - [ -0.0000484900000000, -0.0001844700000000, 0.0001181300000000 ] - [ 0.0002837800000000, -0.0001524800000000, 0.0000754100000000 ] - [ -0.0003772000000000, 0.0000640500000000, -0.0000747700000000 ] - [ 0.0009492100000000, -0.0007490900000000, -0.0083091100000000 ] - [ 0.0000747400000000, 0.0002991900000000, -0.0001638500000000 ] - [ -0.0000071100000000, 0.0001934900000000, -0.0001589500000000 ] - [ 0.0001516200000000, -0.0001403800000000, -0.0001623300000000 ] - [ -0.0004094300000000, 0.0001347500000000, -0.0020234800000000 ] - [ 0.0001954500000000, 0.0000272900000000, 0.0004113200000000 ] - [ -0.0000227900000000, -0.0001406400000000, 0.0003817800000000 ] - [ 0.0002106200000000, 0.0003249800000000, 0.0001734500000000 ] - [ 0.0003274100000000, -0.0002057000000000, 0.0011484000000000 ] - [ -0.0002607600000000, -0.0006750500000000, -0.0008354800000000 ] - [ 0.0001915600000000, -0.0004178000000000, -0.0000602800000000 ] - [ -0.0002201800000000, 0.0002084600000000, -0.0003205900000000 ] - [ 0.0012754000000000, 0.0050959000000000, -0.0053284700000000 ] - [ -0.0002995300000000, 0.0002128200000000, 0.0000748200000000 ] - [ 0.0004845800000000, 0.0002445400000000, 0.0000440200000000 ] - [ 0.0000642300000000, -0.0002909100000000, -0.0003111400000000 ] - [ 0.0035355800000000, -0.0017650800000000, -0.0054968600000000 ] - [ -0.0000451500000000, 0.0001656400000000, 0.0001536400000000 ] - [ -0.0002659000000000, 0.0000289500000000, 0.0001827200000000 ] - [ 0.0001253600000000, -0.0000788800000000, 0.0001859600000000 ] - [ -0.0003960600000000, 0.0000343400000000, -0.0084509500000000 ] - [ 0.0001236600000000, 0.0000924200000000, 0.0002046300000000 ] - [ -0.0002681000000000, 0.0001005300000000, 0.0002070900000000 ] - [ 0.0007672500000000, 0.0002250600000000, 0.0027910200000000 ] - [ -0.0002752300000000, -0.0000884400000000, -0.0008256800000000 ] - [ 0.0001237400000000, 0.0002677700000000, 0.0000306800000000 ] - [ -0.0002839600000000, 0.0003080700000000, 0.0000090100000000 ] - [ 0.0003119000000000, -0.0005856900000000, 0.0022942600000000 ] - [ -0.0034969400000000, 0.0019195500000000, -0.0309301500000000 ] - [ 0.0001668200000000, -0.0002051600000000, -0.0001163400000000 ] - [ -0.0002591000000000, -0.0000133200000000, -0.0000809300000000 ] - [ -0.0002334200000000, 0.0002111000000000, 0.0000276100000000 ] - [ -0.0112137800000000, 0.0045395100000000, -0.0439628300000000 ] - [ -0.0000651800000000, 0.0000373200000000, -0.0000607200000000 ] - [ -0.0002388200000000, 0.0000418400000000, -0.0000540300000000 ] - [ -0.0002106000000000, 0.0015252800000000, 0.0005902900000000 ] - [ 0.0001855300000000, 0.0001801300000000, -0.0001302700000000 ] - [ -0.0001483700000000, -0.0002570100000000, -0.0000393500000000 ] - [ 0.0000835900000000, -0.0002505700000000, -0.0002259900000000 ] - [ -0.0031139200000000, 0.0048822000000000, 0.0058393800000000 ] - [ -0.0124073900000000, 0.0027947700000000, 0.0895514800000000 ] - [ -0.0002676600000000, -0.0000717000000000, -0.0000503500000000 ] - [ -0.0001824200000000, -0.0000096000000000, -0.0000660800000000 ] - [ -0.0001426200000000, -0.0004698600000000, -0.0001078200000000 ] - [ 0.0009171300000000, -0.0000040300000000, 0.0098208500000000 ] - [ 0.0002821400000000, -0.0001014700000000, 0.0001406200000000 ] - [ -0.0007944800000000, -0.0000146600000000, 0.0002003800000000 ] - [ 0.0015315900000000, -0.0043613000000000, -0.0026552100000000 ] - [ -0.0004711200000000, 0.0000188700000000, -0.0001553600000000 ] - [ -0.0000609000000000, 0.0000061600000000, -0.0001841300000000 ] - [ -0.0038493400000000, -0.0003671000000000, 0.0092627900000000 ] - [ 0.0005966400000000, -0.0003651000000000, -0.0005229300000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0154366500000000, -0.0005669500000000, -0.0014876300000000 ] - [ -0.0035520700000000, -0.0025111300000000, 0.0003221500000000 ] - [ -0.0038411100000000, 0.0005448900000000, -0.0000012800000000 ] - [ -0.0029373200000000, -0.0012314300000000, 0.0003627200000000 ] - [ -0.0028712700000000, -0.0037920600000000, 0.0012615800000000 ] - [ 0.0001623800000000, -0.0053932700000000, -0.0009093000000000 ] - [ -0.0038146300000000, -0.0014717100000000, 0.0002992900000000 ] - [ -0.0042679700000000, -0.0004142800000000, -0.0004473100000000 ] - [ -0.0052859700000000, -0.0014981100000000, 0.0008922100000000 ] - [ -0.0038444300000000, -0.0007372300000000, -0.0000295900000000 ] - [ -0.0050817400000000, -0.0002882800000000, -0.0006486800000000 ] - [ 0.0048184400000000, -0.0048182900000000, 0.0022673700000000 ] - [ -0.0059686000000000, -0.0018363000000000, -0.0017936800000000 ] - [ -0.0039885900000000, -0.0007239700000000, 0.0007326000000000 ] - [ -0.0049914900000000, 0.0000740100000000, 0.0000044100000000 ] - [ 0.0070074100000000, -0.0042783700000000, -0.0042808900000000 ] - [ 0.0163309500000000, -0.0054278200000000, -0.0016048700000000 ] - [ -0.0043346900000000, 0.0011312500000000, -0.0002055200000000 ] - [ -0.0039496800000000, -0.0011456100000000, 0.0002042600000000 ] - [ 0.0073464800000000, 0.0126354200000000, 0.0021683900000000 ] - [ 0.0273637000000000, 0.0059923600000000, -0.0009079600000000 ] - [ -0.0039543100000000, 0.0060123500000000, 0.0001206000000000 ] - [ -0.0039682000000000, -0.0001697000000000, -0.0008205600000000 ] - [ 0.0229545200000000, -0.0014332000000000, -0.0055581700000000 ] - [ 0.0145353800000000, -0.0007880500000000, 0.0071093600000000 ] - [ -0.0035681000000000, 0.0004665000000000, -0.0002808800000000 ] - [ -0.0041540400000000, -0.0006610500000000, -0.0002219100000000 ] - [ 0.0081760600000000, -0.0038249800000000, 0.0019949900000000 ] - [ 0.0232678900000000, -0.0105267900000000, -0.0163508600000000 ] - [ -0.0040521600000000, 0.0005286600000000, -0.0005344300000000 ] - [ -0.0040337800000000, -0.0009526700000000, 0.0007941800000000 ] - [ 0.0071345800000000, -0.0037448700000000, -0.0029850000000000 ] - [ -0.0045914500000000, 0.0004210900000000, -0.0004950600000000 ] - [ -0.0037570600000000, -0.0006381500000000, 0.0000140700000000 ] - [ -0.0065194400000000, 0.0034260300000000, -0.0002837100000000 ] - [ 0.0057951300000000, 0.0111069600000000, -0.0000875800000000 ] - [ -0.0028986900000000, 0.0013244100000000, 0.0010789400000000 ] - [ -0.0039150400000000, 0.0005890300000000, 0.0001372300000000 ] - [ -0.0027113300000000, 0.0005477800000000, -0.0002117600000000 ] - [ 0.0235356200000000, 0.0018622100000000, -0.0090010500000000 ] - [ -0.0027921800000000, 0.0017043300000000, -0.0010719700000000 ] - [ -0.0044419600000000, 0.0004997900000000, 0.0004539800000000 ] - [ -0.0024284400000000, 0.0001662700000000, 0.0003597600000000 ] - [ 0.0254860700000000, 0.0034543600000000, 0.0095500900000000 ] - [ -0.0024424000000000, 0.0039730900000000, -0.0003808800000000 ] - [ -0.0042847200000000, 0.0006102900000000, -0.0002904000000000 ] - [ -0.0034408000000000, 0.0008436000000000, 0.0004579300000000 ] - [ -0.0039316800000000, -0.0000442200000000, 0.0001732500000000 ] - [ 0.0022872300000000, -0.0004627600000000, 0.0001555400000000 ] - [ 0.0025807700000000, -0.0000405400000000, 0.0001975000000000 ] - [ 0.0032951900000000, -0.0014032200000000, 0.0003172900000000 ] - [ 0.0021246000000000, -0.0096783700000000, -0.0006720100000000 ] - [ 0.0003309900000000, 0.0051686300000000, 0.0005213000000000 ] - [ 0.0026129900000000, 0.0000187400000000, 0.0002874600000000 ] - [ 0.0022931100000000, 0.0002836200000000, 0.0001028800000000 ] - [ -0.0058921800000000, -0.0042883800000000, 0.0005264400000000 ] - [ -0.0085945200000000, 0.0052946200000000, -0.0001730200000000 ] - [ 0.0021631800000000, 0.0007651200000000, 0.0000191200000000 ] - [ 0.0022863500000000, 0.0002388700000000, 0.0001029800000000 ] - [ 0.0024062800000000, 0.0011218300000000, 0.0001656800000000 ] - [ 0.0053671900000000, 0.0029249500000000, 0.0002743800000000 ] - [ 0.0051357500000000, 0.0002887700000000, -0.0000229300000000 ] - [ 0.0047623800000000, 0.0021736800000000, -0.0001802300000000 ] - [ -0.0002382400000000, 0.0132629500000000, 0.0022560000000000 ] - [ 0.0045522800000000, -0.0207467900000000, -0.0019051000000000 ] - [ 0.0051570300000000, 0.0001927500000000, 0.0000006400000000 ] - [ 0.0051392100000000, -0.0000143200000000, -0.0001588500000000 ] - [ -0.0151437900000000, 0.0354326900000000, 0.0045003400000000 ] - [ -0.0192495200000000, -0.0294369500000000, 0.0062077900000000 ] - [ 0.0050144500000000, -0.0036508300000000, -0.0002001200000000 ] - [ 0.0050539700000000, -0.0005849700000000, 0.0001568400000000 ] - [ 0.0040841800000000, -0.0016826900000000, -0.0002277600000000 ] - [ 0.0324771200000000, -0.0105234400000000, -0.0015306000000000 ] - [ 0.0081489100000000, -0.0000222200000000, -0.0003050200000000 ] - [ 0.0095493500000000, -0.0003312200000000, 0.0002138100000000 ] - [ -0.0227094400000000, -0.0043042600000000, 0.0009696200000000 ] - [ -0.1889483100000000, 0.0086618500000000, 0.0117531600000000 ] - [ 0.0079550000000000, -0.0003767900000000, 0.0002500700000000 ] - [ 0.0081886300000000, 0.0000009100000000, 0.0000300500000000 ] - [ 0.0004406200000000, -0.0032738500000000, 0.0003217800000000 ] - [ 0.0317064600000000, 0.0147816900000000, -0.0035272200000000 ] - [ -0.0000272500000000, 0.0005334300000000, 0.0001079500000000 ] - [ 0.0092276700000000, 0.0000962700000000, -0.0003985700000000 ] - [ 0.0077264200000000, 0.0005840900000000, -0.0000056400000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0146606800000000, 0.0014051700000000, 0.0015085300000000 ] - [ 0.0030221700000000, 0.0020326800000000, -0.0002483900000000 ] - [ 0.0043733100000000, -0.0010115500000000, 0.0000721700000000 ] - [ 0.0023891900000000, 0.0017194400000000, -0.0002877300000000 ] - [ 0.0037019300000000, 0.0043865800000000, -0.0013408800000000 ] - [ -0.0009578900000000, 0.0047411000000000, 0.0008285500000000 ] - [ 0.0046530700000000, 0.0008554900000000, -0.0003841700000000 ] - [ 0.0034323200000000, 0.0010399700000000, 0.0003603600000000 ] - [ 0.0054738300000000, 0.0014018200000000, -0.0007112600000000 ] - [ 0.0036617500000000, 0.0008418600000000, 0.0002203000000000 ] - [ 0.0052544800000000, 0.0003875500000000, 0.0008297600000000 ] - [ -0.0049533200000000, 0.0047182800000000, -0.0020839600000000 ] - [ 0.0059491900000000, 0.0016771800000000, 0.0018466600000000 ] - [ 0.0040156200000000, 0.0008865400000000, -0.0006857200000000 ] - [ 0.0049531900000000, 0.0000820100000000, 0.0000512300000000 ] - [ -0.0069417000000000, 0.0040990400000000, 0.0043240500000000 ] - [ -0.0168483400000000, 0.0048253900000000, 0.0017793500000000 ] - [ 0.0037366900000000, -0.0010323900000000, 0.0002113500000000 ] - [ 0.0045456800000000, 0.0012430400000000, -0.0001991700000000 ] - [ -0.0079619200000000, -0.0127446000000000, -0.0021511200000000 ] - [ -0.0280323500000000, -0.0065162200000000, 0.0011115900000000 ] - [ 0.0040104300000000, -0.0054316000000000, -0.0007573600000000 ] - [ 0.0040726200000000, -0.0004146600000000, 0.0002134400000000 ] - [ -0.0231254700000000, 0.0019313400000000, 0.0049548800000000 ] - [ -0.0154089300000000, 0.0013249700000000, -0.0081771400000000 ] - [ 0.0038312100000000, -0.0006277200000000, -0.0002197600000000 ] - [ 0.0038867500000000, 0.0005017600000000, -0.0002778200000000 ] - [ -0.0079711700000000, 0.0039939500000000, -0.0024801200000000 ] - [ -0.0232934100000000, 0.0114296100000000, 0.0171047700000000 ] - [ 0.0037262900000000, -0.0008566100000000, 0.0007230300000000 ] - [ 0.0043562400000000, 0.0006270700000000, -0.0006061900000000 ] - [ -0.0075331500000000, 0.0040914800000000, 0.0031664800000000 ] - [ 0.0043895100000000, -0.0008447400000000, 0.0001845600000000 ] - [ 0.0039592800000000, 0.0010422300000000, -0.0003251400000000 ] - [ 0.0062934900000000, -0.0030024000000000, -0.0000272200000000 ] - [ -0.0055283400000000, -0.0114848200000000, -0.0002310600000000 ] - [ 0.0026129300000000, -0.0009970200000000, -0.0003231500000000 ] - [ 0.0041911500000000, -0.0009204300000000, 0.0006282600000000 ] - [ 0.0024423800000000, -0.0008713400000000, 0.0009704400000000 ] - [ -0.0223565900000000, -0.0016747800000000, 0.0090435400000000 ] - [ 0.0029045800000000, -0.0007925600000000, 0.0009141700000000 ] - [ 0.0043197800000000, -0.0014192400000000, -0.0006209100000000 ] - [ 0.0025605800000000, -0.0010734500000000, -0.0005172000000000 ] - [ -0.0243043200000000, -0.0025620200000000, -0.0089053100000000 ] - [ 0.0031901900000000, -0.0044517000000000, 0.0004888200000000 ] - [ 0.0035239000000000, -0.0001541000000000, 0.0003952500000000 ] - [ 0.0042067300000000, -0.0003795600000000, -0.0003539900000000 ] - [ 0.0038239700000000, -0.0005429400000000, -0.0007791100000000 ] - [ -0.0027030600000000, 0.0003979700000000, 0.0002144800000000 ] - [ -0.0021630500000000, 0.0001080700000000, 0.0001715700000000 ] - [ -0.0037152000000000, 0.0014659200000000, 0.0000544100000000 ] - [ -0.0017132200000000, 0.0095221400000000, 0.0010335300000000 ] - [ -0.0007223200000000, -0.0053897900000000, -0.0001092200000000 ] - [ -0.0022001900000000, 0.0001767100000000, 0.0001231800000000 ] - [ -0.0027048000000000, -0.0000879100000000, 0.0003065500000000 ] - [ 0.0063276900000000, 0.0040936100000000, -0.0001170200000000 ] - [ 0.0081554600000000, -0.0058261600000000, 0.0002346200000000 ] - [ -0.0017747700000000, -0.0002223400000000, 0.0000377700000000 ] - [ -0.0026753100000000, 0.0002979000000000, -0.0000455000000000 ] - [ -0.0020109200000000, -0.0016684300000000, -0.0001074200000000 ] - [ -0.0055454600000000, -0.0028686300000000, -0.0004564000000000 ] - [ -0.0049545900000000, -0.0003682900000000, -0.0001547100000000 ] - [ -0.0049441600000000, -0.0022369100000000, -0.0000022100000000 ] - [ 0.0003741400000000, -0.0131331500000000, -0.0024552200000000 ] - [ -0.0046982900000000, 0.0207305600000000, 0.0018002100000000 ] - [ -0.0050017000000000, -0.0001136100000000, -0.0001207300000000 ] - [ -0.0052887300000000, 0.0000896500000000, 0.0000394900000000 ] - [ 0.0155457500000000, -0.0357551200000000, -0.0046587000000000 ] - [ 0.0189887800000000, 0.0297143800000000, -0.0062429200000000 ] - [ -0.0050106100000000, 0.0031629500000000, 0.0001135400000000 ] - [ -0.0050549900000000, 0.0001259800000000, -0.0002443000000000 ] - [ -0.0040681400000000, 0.0021622000000000, 0.0001428400000000 ] - [ -0.0327142000000000, 0.0107460500000000, 0.0014318500000000 ] - [ -0.0082588700000000, -0.0000135700000000, 0.0001921600000000 ] - [ -0.0094238400000000, 0.0002911400000000, -0.0003245800000000 ] - [ 0.0225789200000000, 0.0044332800000000, -0.0010531500000000 ] - [ 0.1875577900000000, -0.0089848100000000, -0.0117679900000000 ] - [ -0.0068798300000000, 0.0001916700000000, 0.0000427100000000 ] - [ -0.0092628500000000, -0.0001864000000000, 0.0002631700000000 ] - [ 0.0006828500000000, 0.0034683700000000, -0.0000324800000000 ] - [ -0.0318987100000000, -0.0147057500000000, 0.0031518300000000 ] - [ 0.0005372800000000, -0.0004107500000000, -0.0004371500000000 ] - [ -0.0097919700000000, 0.0000173700000000, 0.0000661200000000 ] - [ -0.0071556700000000, -0.0007034400000000, -0.0003280100000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0043544000000000, 0.0091969000000000, -0.0017609200000000 ] - [ -0.0008872300000000, -0.0007830800000000, -0.0000259200000000 ] - [ 0.0002433100000000, -0.0001226900000000, 0.0000197700000000 ] - [ -0.0024153000000000, 0.0004296900000000, 0.0004568300000000 ] - [ -0.0019790100000000, 0.0010227200000000, 0.0009197400000000 ] - [ -0.0062784500000000, -0.0045716200000000, -0.0022551500000000 ] - [ 0.0002067300000000, 0.0001117600000000, 0.0000773200000000 ] - [ -0.0007133600000000, 0.0004153900000000, -0.0001048400000000 ] - [ 0.0004041200000000, 0.0022351000000000, -0.0006046300000000 ] - [ -0.0001417600000000, 0.0000090800000000, 0.0000904100000000 ] - [ -0.0001455900000000, 0.0007962300000000, 0.0000960800000000 ] - [ 0.0014618500000000, -0.0118425200000000, 0.0034953500000000 ] - [ 0.0001836600000000, 0.0028140100000000, 0.0003462600000000 ] - [ -0.0000625800000000, 0.0000460100000000, 0.0000212400000000 ] - [ -0.0008039800000000, 0.0005197900000000, 0.0000696000000000 ] - [ 0.0014648900000000, -0.0120383400000000, -0.0051973200000000 ] - [ -0.0086555400000000, 0.0171178500000000, 0.0015287600000000 ] - [ -0.0002283400000000, 0.0000343400000000, 0.0000024500000000 ] - [ 0.0002335600000000, 0.0001058500000000, 0.0000026200000000 ] - [ 0.0006917000000000, -0.0130850500000000, -0.0007991700000000 ] - [ 0.0027440400000000, 0.0061253800000000, 0.0004785000000000 ] - [ 0.0077145600000000, -0.0057269500000000, -0.0014690000000000 ] - [ 0.0002712700000000, -0.0001890500000000, -0.0003082100000000 ] - [ -0.0025779000000000, 0.0171879600000000, 0.0002292400000000 ] - [ -0.0010199800000000, 0.0122801400000000, -0.0106799000000000 ] - [ 0.0001527200000000, -0.0001841600000000, -0.0002767800000000 ] - [ -0.0001093700000000, 0.0000102600000000, -0.0002243100000000 ] - [ -0.0064738200000000, -0.0084192000000000, 0.0052128600000000 ] - [ -0.0093927100000000, 0.0256588200000000, 0.0173790900000000 ] - [ -0.0001737400000000, -0.0003009000000000, 0.0001095800000000 ] - [ 0.0002414700000000, -0.0000961000000000, 0.0000693600000000 ] - [ -0.0096585600000000, -0.0074733900000000, -0.0056734200000000 ] - [ 0.0010201600000000, -0.0006034200000000, -0.0001360900000000 ] - [ 0.0001699300000000, 0.0000313000000000, -0.0001645100000000 ] - [ 0.0012307200000000, 0.0013833600000000, 0.0000206000000000 ] - [ 0.0058938500000000, -0.0037359400000000, -0.0001428400000000 ] - [ -0.0000132500000000, -0.0010551300000000, -0.0001220900000000 ] - [ 0.0002637800000000, -0.0001200300000000, 0.0004241500000000 ] - [ 0.0004129400000000, -0.0010760100000000, 0.0003350100000000 ] - [ 0.0060142200000000, 0.0131098300000000, 0.0019060500000000 ] - [ 0.0000629200000000, -0.0007915600000000, 0.0004830600000000 ] - [ 0.0000394400000000, -0.0003943100000000, -0.0001091200000000 ] - [ 0.0004546000000000, -0.0014242400000000, -0.0001368400000000 ] - [ 0.0059324300000000, 0.0148488800000000, -0.0034532800000000 ] - [ 0.0027027200000000, -0.0032651200000000, 0.0002518500000000 ] - [ -0.0003253500000000, 0.0001971600000000, 0.0000592100000000 ] - [ 0.0007320700000000, 0.0002055900000000, -0.0000138300000000 ] - [ -0.0000437100000000, -0.0003260800000000, -0.0002986300000000 ] - [ -0.0010805400000000, -0.0000213000000000, 0.0002029900000000 ] - [ 0.0000991100000000, 0.0001342900000000, 0.0001800100000000 ] - [ -0.0015927300000000, -0.0001897800000000, 0.0002764500000000 ] - [ -0.0095517700000000, 0.0059828800000000, 0.0009296500000000 ] - [ 0.0039850500000000, -0.0047817500000000, 0.0004372900000000 ] - [ 0.0001630500000000, 0.0001041800000000, 0.0002036700000000 ] - [ -0.0001043800000000, 0.0000822000000000, 0.0001916100000000 ] - [ -0.0035198700000000, 0.0116040400000000, 0.0001109700000000 ] - [ 0.0054068700000000, 0.0019493300000000, 0.0003003700000000 ] - [ 0.0007361500000000, 0.0004586400000000, -0.0000279100000000 ] - [ -0.0001822800000000, 0.0002312100000000, 0.0000284800000000 ] - [ 0.0024790900000000, 0.0001807400000000, 0.0000887500000000 ] - [ 0.0010224700000000, -0.0022584400000000, -0.0004143800000000 ] - [ 0.0002432100000000, -0.0000384100000000, -0.0000404100000000 ] - [ 0.0011714900000000, -0.0008027400000000, -0.0003467200000000 ] - [ 0.0105297000000000, 0.0285999100000000, 0.0030796800000000 ] - [ -0.0132882500000000, 0.0175287100000000, 0.0083978100000000 ] - [ 0.0001179600000000, 0.0001380600000000, -0.0000498200000000 ] - [ -0.0002295700000000, -0.0000708700000000, -0.0000923900000000 ] - [ 0.0385808900000000, 0.0327802400000000, -0.0032780000000000 ] - [ -0.0198779200000000, -0.0051432700000000, -0.0025174100000000 ] - [ -0.0009995100000000, 0.0005990200000000, 0.0000400000000000 ] - [ -0.0001127600000000, -0.0001934300000000, -0.0000661600000000 ] - [ -0.0016859500000000, 0.0021793900000000, -0.0000103800000000 ] - [ -0.0147721900000000, -0.0132698700000000, 0.0000186100000000 ] - [ -0.0000594000000000, 0.0001153600000000, -0.0000668300000000 ] - [ -0.0000405000000000, -0.0008140300000000, 0.0000208600000000 ] - [ -0.0040602500000000, 0.0249861400000000, 0.0044414700000000 ] - [ 0.0087846200000000, -0.1529350800000000, -0.0128039600000000 ] - [ 0.0002436900000000, 0.0004795300000000, 0.0001696200000000 ] - [ -0.0006230700000000, -0.0001916700000000, 0.0001536100000000 ] - [ 0.0038736100000000, 0.0108865400000000, 0.0004961900000000 ] - [ 0.0095991900000000, -0.0127550200000000, -0.0005735400000000 ] - [ -0.0000349300000000, 0.0063259500000000, 0.0007860300000000 ] - [ -0.0005602100000000, -0.0007518800000000, -0.0002326700000000 ] - [ 0.0008502100000000, 0.0006026700000000, -0.0001617200000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0054424600000000, -0.0076203500000000, 0.0016864900000000 ] - [ 0.0003504700000000, 0.0003288400000000, 0.0000946500000000 ] - [ 0.0002875100000000, -0.0003361500000000, 0.0000487500000000 ] - [ 0.0018922800000000, 0.0000186300000000, -0.0003828600000000 ] - [ 0.0028052000000000, -0.0003657100000000, -0.0010102500000000 ] - [ 0.0053825300000000, 0.0039693700000000, 0.0021675200000000 ] - [ 0.0006466600000000, -0.0007353000000000, -0.0001680600000000 ] - [ -0.0001270400000000, 0.0002025400000000, 0.0000162000000000 ] - [ -0.0002260000000000, -0.0023240000000000, 0.0007809100000000 ] - [ -0.0000373800000000, 0.0000864300000000, 0.0000921800000000 ] - [ 0.0003407300000000, -0.0006848400000000, 0.0000944900000000 ] - [ -0.0016824100000000, 0.0117457900000000, -0.0032918900000000 ] - [ -0.0002237600000000, -0.0029803000000000, -0.0003086300000000 ] - [ 0.0000964200000000, 0.0001142500000000, 0.0000234400000000 ] - [ 0.0007786800000000, -0.0003528600000000, -0.0000281900000000 ] - [ -0.0014772900000000, 0.0118442300000000, 0.0052120500000000 ] - [ 0.0090069400000000, -0.0175381900000000, -0.0015213600000000 ] - [ -0.0003674200000000, 0.0000647800000000, 0.0000033500000000 ] - [ 0.0003728900000000, 0.0000048300000000, 0.0000008500000000 ] - [ -0.0012512100000000, 0.0130023000000000, 0.0008120700000000 ] - [ -0.0035257200000000, -0.0068675000000000, -0.0001775900000000 ] - [ -0.0076304200000000, 0.0063513000000000, 0.0008622300000000 ] - [ -0.0001442100000000, -0.0003992100000000, -0.0002925400000000 ] - [ 0.0024061200000000, -0.0185523500000000, -0.0011360000000000 ] - [ 0.0005276500000000, -0.0120334000000000, 0.0099661800000000 ] - [ 0.0001129500000000, 0.0000217400000000, -0.0002244400000000 ] - [ -0.0001533100000000, -0.0001732500000000, -0.0002796600000000 ] - [ 0.0067982900000000, 0.0085851700000000, -0.0057383200000000 ] - [ 0.0090146700000000, -0.0246650900000000, -0.0164049600000000 ] - [ -0.0001500300000000, -0.0000259700000000, 0.0000799100000000 ] - [ 0.0000850600000000, -0.0002294800000000, 0.0001217000000000 ] - [ 0.0094058900000000, 0.0078210200000000, 0.0058714000000000 ] - [ -0.0012281900000000, 0.0001886500000000, -0.0001786100000000 ] - [ 0.0000399900000000, 0.0003909700000000, -0.0001482200000000 ] - [ -0.0014131200000000, -0.0009804000000000, -0.0003312000000000 ] - [ -0.0057019400000000, 0.0031979500000000, -0.0001812500000000 ] - [ -0.0002533000000000, 0.0013988900000000, 0.0009030700000000 ] - [ 0.0000150700000000, -0.0002222700000000, 0.0003597400000000 ] - [ -0.0006954600000000, 0.0007205600000000, 0.0004503300000000 ] - [ -0.0056463300000000, -0.0128463900000000, -0.0012003700000000 ] - [ 0.0000754300000000, 0.0017082000000000, -0.0006480000000000 ] - [ -0.0001636600000000, -0.0005253200000000, -0.0000596100000000 ] - [ -0.0003364700000000, 0.0004959900000000, -0.0000318900000000 ] - [ -0.0060437500000000, -0.0139669400000000, 0.0032628100000000 ] - [ -0.0019431900000000, 0.0028242000000000, -0.0001488300000000 ] - [ -0.0004070700000000, 0.0002605900000000, 0.0000488900000000 ] - [ 0.0000168800000000, 0.0002455000000000, 0.0001180100000000 ] - [ -0.0000738600000000, -0.0002582100000000, -0.0003037100000000 ] - [ 0.0006543400000000, -0.0000484000000000, 0.0001666200000000 ] - [ 0.0003240900000000, -0.0000695200000000, 0.0001894000000000 ] - [ 0.0011468000000000, 0.0002694700000000, 0.0000938000000000 ] - [ 0.0100848800000000, -0.0060447200000000, -0.0005720000000000 ] - [ -0.0043897600000000, 0.0046185300000000, -0.0000300900000000 ] - [ 0.0002474900000000, 0.0000939400000000, 0.0002070000000000 ] - [ -0.0003062300000000, 0.0001155600000000, 0.0002197500000000 ] - [ 0.0038705600000000, -0.0117118600000000, 0.0002995600000000 ] - [ -0.0057599300000000, -0.0025287200000000, -0.0002389100000000 ] - [ -0.0003443500000000, 0.0000769200000000, 0.0000846900000000 ] - [ -0.0002048800000000, 0.0003063900000000, 0.0000291200000000 ] - [ -0.0020942000000000, -0.0007119200000000, -0.0000294700000000 ] - [ -0.0012124500000000, 0.0023499900000000, 0.0002414800000000 ] - [ -0.0000564100000000, -0.0000415400000000, -0.0001362600000000 ] - [ -0.0013581600000000, 0.0006984500000000, 0.0001661300000000 ] - [ -0.0101585800000000, -0.0283288800000000, -0.0032577200000000 ] - [ 0.0130139600000000, -0.0176614000000000, -0.0084318100000000 ] - [ 0.0000414900000000, -0.0000659300000000, -0.0000724800000000 ] - [ 0.0000637100000000, 0.0001470500000000, -0.0000302300000000 ] - [ -0.0390561800000000, -0.0332561600000000, 0.0032086300000000 ] - [ 0.0199733900000000, 0.0058990600000000, 0.0024520900000000 ] - [ 0.0009798800000000, -0.0010300800000000, -0.0001287100000000 ] - [ 0.0001243300000000, -0.0002689000000000, -0.0000233500000000 ] - [ 0.0016567600000000, -0.0017245700000000, -0.0000762900000000 ] - [ 0.0149181200000000, 0.0132324400000000, -0.0001482500000000 ] - [ -0.0000381400000000, -0.0001504200000000, -0.0000475100000000 ] - [ 0.0001204000000000, 0.0007761700000000, -0.0001345900000000 ] - [ 0.0039829000000000, -0.0249583600000000, -0.0045918100000000 ] - [ -0.0088524000000000, 0.1540604500000000, 0.0127861800000000 ] - [ 0.0008143900000000, -0.0006575500000000, 0.0001206900000000 ] - [ -0.0004366400000000, 0.0000064900000000, 0.0001368600000000 ] - [ -0.0028670500000000, -0.0107198700000000, -0.0002092500000000 ] - [ -0.0102307700000000, 0.0124501500000000, 0.0002567000000000 ] - [ 0.0006500500000000, -0.0061842800000000, -0.0011124600000000 ] - [ -0.0000015800000000, 0.0008734200000000, -0.0000974100000000 ] - [ -0.0002980800000000, -0.0007206100000000, -0.0001708700000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001346400000000, 0.0000088400000000, 0.0077423800000000 ] - [ -0.0001400200000000, -0.0002183400000000, 0.0000091500000000 ] - [ 0.0003193900000000, -0.0002600300000000, 0.0000403300000000 ] - [ -0.0001986600000000, 0.0001694100000000, -0.0000183600000000 ] - [ 0.0007873600000000, 0.0004524000000000, -0.0005681600000000 ] - [ 0.0005002000000000, 0.0005380100000000, 0.0003177400000000 ] - [ 0.0003969300000000, -0.0003687100000000, -0.0000649500000000 ] - [ -0.0003545000000000, 0.0002931300000000, -0.0000317700000000 ] - [ -0.0000430300000000, -0.0003121100000000, 0.0002596300000000 ] - [ -0.0000344200000000, 0.0000557300000000, 0.0000983900000000 ] - [ -0.0000358200000000, -0.0002984500000000, 0.0004430300000000 ] - [ -0.0001679300000000, 0.0005345900000000, -0.0008390700000000 ] - [ -0.0004171300000000, -0.0000538200000000, 0.0006279400000000 ] - [ 0.0000728700000000, 0.0000872800000000, 0.0000161700000000 ] - [ -0.0000684300000000, 0.0001313400000000, 0.0000665300000000 ] - [ -0.0005650400000000, 0.0007163400000000, 0.0015018900000000 ] - [ -0.0019915000000000, 0.0005514800000000, 0.0090831700000000 ] - [ -0.0002459800000000, 0.0000377200000000, 0.0000018900000000 ] - [ 0.0003485600000000, 0.0000612700000000, 0.0000081200000000 ] - [ 0.0004891300000000, 0.0011605600000000, -0.0046644400000000 ] - [ -0.0002215500000000, 0.0032088600000000, -0.0129776700000000 ] - [ 0.0021387500000000, 0.0003649800000000, -0.0045676900000000 ] - [ 0.0000861500000000, -0.0002887100000000, -0.0002960200000000 ] - [ -0.0035396300000000, 0.0019652200000000, 0.0045732300000000 ] - [ 0.0021970100000000, -0.0011632300000000, 0.0035106500000000 ] - [ 0.0001882900000000, -0.0000887700000000, -0.0002507400000000 ] - [ -0.0000841700000000, -0.0000719300000000, -0.0002516900000000 ] - [ -0.0007109000000000, 0.0000790600000000, 0.0010026200000000 ] - [ -0.0109447300000000, 0.0166364300000000, 0.0151340600000000 ] - [ -0.0000993900000000, -0.0001765500000000, 0.0001057400000000 ] - [ 0.0002122300000000, -0.0001538000000000, 0.0000896100000000 ] - [ -0.0013657400000000, 0.0002988000000000, 0.0000634000000000 ] - [ 0.0001138500000000, -0.0002836200000000, -0.0002212100000000 ] - [ 0.0001721000000000, 0.0002081900000000, -0.0001575100000000 ] - [ 0.0002606100000000, 0.0000413000000000, 0.0009684000000000 ] - [ -0.0024840000000000, 0.0010616100000000, -0.0045348100000000 ] - [ -0.0001534500000000, 0.0001608200000000, 0.0004195300000000 ] - [ 0.0001918000000000, -0.0001519800000000, 0.0003716600000000 ] - [ -0.0001859200000000, -0.0001063500000000, 0.0004851400000000 ] - [ -0.0073468700000000, 0.0000320200000000, 0.0035729100000000 ] - [ 0.0001334500000000, 0.0003632500000000, -0.0000723000000000 ] - [ -0.0000068900000000, -0.0004429200000000, -0.0000738700000000 ] - [ 0.0001122300000000, -0.0004319600000000, -0.0001593700000000 ] - [ 0.0035010300000000, -0.0007572600000000, 0.0088433000000000 ] - [ 0.0003080700000000, -0.0000447300000000, 0.0005764700000000 ] - [ -0.0003357700000000, 0.0002280700000000, 0.0000569900000000 ] - [ 0.0004651400000000, 0.0002130800000000, 0.0000076300000000 ] - [ 0.0000072400000000, -0.0003014600000000, -0.0003119400000000 ] - [ -0.0002714700000000, -0.0000739600000000, 0.0001753700000000 ] - [ 0.0001552400000000, 0.0000372700000000, 0.0001843300000000 ] - [ 0.0000171300000000, -0.0000266700000000, 0.0010116100000000 ] - [ -0.0008217100000000, 0.0009488200000000, -0.0022082300000000 ] - [ -0.0004117400000000, 0.0004526200000000, 0.0063803700000000 ] - [ 0.0001713200000000, 0.0000978000000000, 0.0002030600000000 ] - [ -0.0002365600000000, 0.0000999900000000, 0.0002099100000000 ] - [ 0.0005908300000000, 0.0002255100000000, -0.0020140600000000 ] - [ 0.0003833800000000, -0.0000354300000000, 0.0086892300000000 ] - [ 0.0001065000000000, 0.0002727000000000, 0.0000313600000000 ] - [ -0.0002219000000000, 0.0002689600000000, 0.0000290200000000 ] - [ -0.0000081000000000, -0.0003330600000000, 0.0000116400000000 ] - [ -0.0000901000000000, 0.0002035200000000, 0.0001130700000000 ] - [ 0.0000175900000000, -0.0000265600000000, -0.0000921000000000 ] - [ -0.0001335700000000, 0.0001427700000000, 0.0001269300000000 ] - [ -0.0008217600000000, -0.0026643000000000, -0.0005099100000000 ] - [ -0.0051247900000000, -0.0029465400000000, 0.0298037100000000 ] - [ -0.0000041800000000, 0.0000499800000000, -0.0000611300000000 ] - [ -0.0001318500000000, 0.0000349000000000, -0.0000540400000000 ] - [ 0.0051923500000000, -0.0013512400000000, -0.0076471000000000 ] - [ 0.0139161900000000, -0.0026206300000000, 0.0453903600000000 ] - [ -0.0001224100000000, -0.0000743600000000, -0.0000765300000000 ] - [ -0.0000904900000000, -0.0002475400000000, -0.0000485600000000 ] - [ 0.0000414500000000, 0.0003600800000000, 0.0000826000000000 ] - [ -0.0011893700000000, -0.0001708700000000, -0.0097107300000000 ] - [ -0.0001910200000000, -0.0000143300000000, -0.0000533900000000 ] - [ -0.0000371900000000, -0.0000925900000000, -0.0001131100000000 ] - [ -0.0000526600000000, -0.0029612700000000, 0.0028106100000000 ] - [ 0.0111054600000000, -0.0129045200000000, -0.0926601900000000 ] - [ 0.0004499800000000, -0.0001167600000000, 0.0001676800000000 ] - [ -0.0006648400000000, -0.0001010300000000, 0.0001512600000000 ] - [ 0.0003709700000000, 0.0004524200000000, 0.0003690100000000 ] - [ -0.0035249200000000, 0.0000693000000000, -0.0100321600000000 ] - [ 0.0004710900000000, -0.0005984400000000, -0.0002070600000000 ] - [ -0.0003660300000000, -0.0000449500000000, -0.0002097800000000 ] - [ 0.0001316200000000, 0.0000033900000000, -0.0001792200000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004106100000000, 0.0004319000000000, -0.0076469700000000 ] - [ -0.0004007800000000, -0.0002545900000000, 0.0000649100000000 ] - [ 0.0002153300000000, -0.0002101000000000, 0.0000313200000000 ] - [ -0.0003444500000000, 0.0003024200000000, 0.0000956200000000 ] - [ 0.0000395100000000, 0.0001671000000000, 0.0004808000000000 ] - [ -0.0013098100000000, -0.0011490700000000, -0.0003923100000000 ] - [ 0.0004382500000000, -0.0002550800000000, -0.0000199800000000 ] - [ -0.0004804200000000, 0.0003305300000000, -0.0000533100000000 ] - [ 0.0002200100000000, 0.0002204800000000, -0.0000764500000000 ] - [ -0.0001474200000000, 0.0000464500000000, 0.0000898100000000 ] - [ 0.0002142500000000, 0.0004041300000000, -0.0002551800000000 ] - [ -0.0000063900000000, -0.0006279500000000, 0.0010072000000000 ] - [ 0.0003821500000000, -0.0001055500000000, -0.0005888900000000 ] - [ -0.0000430200000000, 0.0000755400000000, 0.0000301700000000 ] - [ 0.0000339200000000, 0.0000325500000000, -0.0000227000000000 ] - [ 0.0006028700000000, -0.0008705800000000, -0.0014335400000000 ] - [ 0.0025080600000000, -0.0007091800000000, -0.0090397300000000 ] - [ -0.0003563100000000, 0.0000611400000000, 0.0000028000000000 ] - [ 0.0002513800000000, 0.0000389800000000, -0.0000041800000000 ] - [ -0.0010721400000000, -0.0012789700000000, 0.0046750900000000 ] - [ -0.0005265900000000, -0.0037493100000000, 0.0138379400000000 ] - [ -0.0020469900000000, 0.0002260800000000, 0.0039637300000000 ] - [ 0.0000197800000000, -0.0003003200000000, -0.0003117200000000 ] - [ 0.0034261700000000, -0.0014680400000000, -0.0051550500000000 ] - [ -0.0029060900000000, 0.0015884700000000, -0.0044200700000000 ] - [ 0.0000742400000000, -0.0000713000000000, -0.0002479800000000 ] - [ -0.0001838600000000, -0.0000889800000000, -0.0002477700000000 ] - [ 0.0009837300000000, 0.0000607200000000, -0.0014575600000000 ] - [ 0.0107010000000000, -0.0156651500000000, -0.0145001400000000 ] - [ -0.0002253900000000, -0.0001512500000000, 0.0000843900000000 ] - [ 0.0001069200000000, -0.0001743300000000, 0.0001019800000000 ] - [ 0.0010217400000000, 0.0000086700000000, 0.0000739000000000 ] - [ -0.0003209900000000, -0.0001219100000000, -0.0000910300000000 ] - [ 0.0000299100000000, 0.0001957800000000, -0.0001537300000000 ] - [ -0.0004694500000000, 0.0003603400000000, -0.0012821000000000 ] - [ 0.0026058700000000, -0.0014198000000000, 0.0042163500000000 ] - [ -0.0001230100000000, 0.0001692300000000, 0.0003435300000000 ] - [ 0.0000825700000000, -0.0001784900000000, 0.0003940000000000 ] - [ -0.0000938100000000, -0.0002219700000000, 0.0002802600000000 ] - [ 0.0081095700000000, 0.0001930200000000, -0.0031927500000000 ] - [ -0.0000101500000000, 0.0005503700000000, -0.0000910800000000 ] - [ -0.0001189100000000, -0.0004737000000000, -0.0000920800000000 ] - [ 0.0000088700000000, -0.0004795500000000, -0.0000055800000000 ] - [ -0.0032127000000000, 0.0015576800000000, -0.0085938100000000 ] - [ 0.0004565000000000, -0.0004145700000000, -0.0004744700000000 ] - [ -0.0004221600000000, 0.0002307900000000, 0.0000483900000000 ] - [ 0.0002941300000000, 0.0002460500000000, 0.0000968600000000 ] - [ -0.0001164900000000, -0.0002864600000000, -0.0002951900000000 ] - [ -0.0001489000000000, 0.0000049900000000, 0.0001945000000000 ] - [ 0.0002641900000000, 0.0000298300000000, 0.0001847500000000 ] - [ -0.0004344300000000, 0.0000982900000000, -0.0006432100000000 ] - [ 0.0012029100000000, -0.0009982200000000, 0.0025882300000000 ] - [ -0.0001053200000000, -0.0006944700000000, -0.0059647400000000 ] - [ 0.0002410900000000, 0.0000979200000000, 0.0002074400000000 ] - [ -0.0001729800000000, 0.0000952700000000, 0.0001997000000000 ] - [ -0.0001677800000000, -0.0004289500000000, 0.0024223700000000 ] - [ -0.0007097100000000, -0.0003929300000000, -0.0086330800000000 ] - [ 0.0002851600000000, 0.0002657200000000, 0.0000255900000000 ] - [ -0.0001653900000000, 0.0002683300000000, 0.0000292600000000 ] - [ 0.0004089200000000, -0.0002002900000000, 0.0000479900000000 ] - [ -0.0000845200000000, -0.0001298500000000, -0.0002905600000000 ] - [ 0.0001629300000000, -0.0000508900000000, -0.0000845800000000 ] - [ -0.0000386400000000, -0.0002205500000000, -0.0003073000000000 ] - [ 0.0009811500000000, 0.0026905100000000, 0.0003239200000000 ] - [ 0.0048374400000000, 0.0029975300000000, -0.0299389900000000 ] - [ 0.0001584200000000, 0.0000263300000000, -0.0000590000000000 ] - [ -0.0000165700000000, 0.0000421500000000, -0.0000657000000000 ] - [ -0.0049424100000000, 0.0014610700000000, 0.0074972200000000 ] - [ -0.0133304900000000, 0.0028670000000000, -0.0453898700000000 ] - [ 0.0001288300000000, -0.0003898900000000, -0.0000122300000000 ] - [ 0.0000887900000000, -0.0002144800000000, -0.0000401800000000 ] - [ -0.0000401800000000, 0.0001052200000000, -0.0001711600000000 ] - [ 0.0013637400000000, 0.0001380300000000, 0.0096050600000000 ] - [ 0.0000795000000000, -0.0000219600000000, -0.0000606500000000 ] - [ 0.0001596100000000, 0.0000560000000000, -0.0000003800000000 ] - [ -0.0000836700000000, 0.0028869700000000, -0.0028551300000000 ] - [ -0.0123913600000000, 0.0126713000000000, 0.0918969500000000 ] - [ 0.0006362800000000, -0.0000682200000000, 0.0001261900000000 ] - [ -0.0004108100000000, -0.0000850700000000, 0.0001424400000000 ] - [ 0.0007044000000000, -0.0002516900000000, -0.0000750800000000 ] - [ 0.0029018400000000, -0.0001620500000000, 0.0097304200000000 ] - [ 0.0000930100000000, 0.0006922600000000, -0.0001277600000000 ] - [ -0.0001899900000000, 0.0001593300000000, -0.0001222400000000 ] - [ 0.0004349800000000, -0.0001167500000000, -0.0001538600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0145499900000000, 0.0064702700000000, 0.0015613000000000 ] - [ 0.0057419300000000, -0.0109286200000000, 0.0009358600000000 ] - [ -0.0038769400000000, 0.0009085100000000, -0.0000173400000000 ] - [ -0.0040982900000000, 0.0009266900000000, 0.0000950800000000 ] - [ 0.0280387200000000, -0.0070121500000000, 0.0025241100000000 ] - [ 0.0226053500000000, 0.0019558200000000, 0.0051045300000000 ] - [ -0.0034940600000000, -0.0006585100000000, 0.0004521700000000 ] - [ -0.0042676000000000, 0.0000500200000000, -0.0005542300000000 ] - [ -0.0039428800000000, -0.0008609200000000, 0.0002176500000000 ] - [ -0.0038276200000000, -0.0005676500000000, 0.0000901500000000 ] - [ 0.0221195500000000, -0.0013542400000000, 0.0104560600000000 ] - [ 0.0082151800000000, 0.0039232700000000, -0.0023414900000000 ] - [ -0.0042791500000000, -0.0010019900000000, -0.0007488600000000 ] - [ -0.0038754800000000, -0.0005565600000000, 0.0006102000000000 ] - [ 0.0156476000000000, -0.0029800300000000, -0.0021402300000000 ] - [ 0.0074567600000000, 0.0037162500000000, 0.0031695100000000 ] - [ -0.0043642500000000, -0.0008728200000000, 0.0001242300000000 ] - [ -0.0035885500000000, 0.0023176700000000, -0.0003670400000000 ] - [ -0.0059083900000000, -0.0029589100000000, -0.0000224300000000 ] - [ -0.0030163900000000, 0.0014477800000000, -0.0003996600000000 ] - [ -0.0041768100000000, -0.0057475900000000, 0.0001459800000000 ] - [ -0.0042176300000000, 0.0013927200000000, -0.0006072900000000 ] - [ -0.0033386900000000, 0.0036927400000000, -0.0013248100000000 ] - [ -0.0029400800000000, -0.0039627100000000, -0.0004145100000000 ] - [ -0.0054919400000000, 0.0013771800000000, -0.0009167500000000 ] - [ -0.0022761800000000, -0.0006902300000000, -0.0008909700000000 ] - [ -0.0052511600000000, 0.0003688500000000, 0.0005231100000000 ] - [ -0.0022698700000000, -0.0010867100000000, 0.0004970400000000 ] - [ -0.0056932200000000, 0.0020865800000000, 0.0021282300000000 ] - [ -0.0028431500000000, -0.0011390600000000, 0.0004039300000000 ] - [ -0.0045546500000000, -0.0002955200000000, 0.0002621100000000 ] - [ -0.0032730200000000, -0.0009987400000000, -0.0009935600000000 ] - [ -0.0042248500000000, -0.0011442500000000, -0.0003438400000000 ] - [ -0.0039156600000000, -0.0009892600000000, 0.0000144000000000 ] - [ 0.0156481700000000, -0.0013739200000000, -0.0000027400000000 ] - [ 0.0081976300000000, -0.0130919100000000, -0.0014784400000000 ] - [ -0.0039277400000000, 0.0008804500000000, 0.0006148000000000 ] - [ -0.0038869700000000, 0.0004118700000000, 0.0002415500000000 ] - [ 0.0050926000000000, 0.0042450600000000, -0.0027471000000000 ] - [ 0.0196472900000000, 0.0056522200000000, 0.0112841300000000 ] - [ -0.0039818100000000, 0.0013240500000000, -0.0005800500000000 ] - [ -0.0043912900000000, 0.0003198600000000, 0.0003264200000000 ] - [ 0.0060027000000000, 0.0042082100000000, 0.0031949800000000 ] - [ 0.0223703400000000, 0.0073145700000000, -0.0165574800000000 ] - [ -0.0034653100000000, 0.0005140700000000, 0.0003062100000000 ] - [ -0.0044048100000000, 0.0001798600000000, -0.0003935600000000 ] - [ 0.0007984700000000, 0.0049284300000000, 0.0004653300000000 ] - [ -0.0037909700000000, -0.0008301900000000, 0.0003298900000000 ] - [ 0.0022976900000000, -0.0000008000000000, 0.0001722900000000 ] - [ 0.0026407000000000, 0.0001279300000000, 0.0001929200000000 ] - [ -0.0084098900000000, -0.0049441000000000, 0.0002092300000000 ] - [ -0.0061962400000000, 0.0044326900000000, 0.0000243100000000 ] - [ 0.0022238800000000, 0.0003353300000000, 0.0001131900000000 ] - [ 0.0021720800000000, -0.0003384000000000, 0.0002380700000000 ] - [ 0.0033164200000000, 0.0014046200000000, -0.0002786900000000 ] - [ 0.0024281400000000, -0.0015321700000000, 0.0000203400000000 ] - [ 0.0004746400000000, -0.0058316800000000, 0.0020666100000000 ] - [ 0.0020174100000000, 0.0099417600000000, 0.0010613500000000 ] - [ 0.0022907400000000, 0.0000735400000000, 0.0001090100000000 ] - [ 0.0025180000000000, -0.0002068100000000, -0.0000249400000000 ] - [ 0.0049860400000000, 0.0004670700000000, -0.0001095000000000 ] - [ 0.0050964700000000, -0.0001497100000000, 0.0000284800000000 ] - [ -0.0171570800000000, 0.0289635500000000, -0.0099558000000000 ] - [ -0.0152895800000000, -0.0345572700000000, -0.0064107000000000 ] - [ 0.0054751400000000, -0.0028520700000000, -0.0006206900000000 ] - [ 0.0051589700000000, 0.0031862300000000, -0.0002757600000000 ] - [ 0.0047823500000000, -0.0021702800000000, -0.0001684100000000 ] - [ 0.0042085400000000, 0.0019165300000000, 0.0001566500000000 ] - [ 0.0047712600000000, 0.0206382300000000, 0.0028708100000000 ] - [ 0.0007821800000000, -0.0133130100000000, 0.0008546700000000 ] - [ 0.0051240500000000, -0.0001335300000000, 0.0001571400000000 ] - [ 0.0049783300000000, -0.0000002900000000, -0.0002435900000000 ] - [ 0.0094701500000000, 0.0000302000000000, 0.0001365200000000 ] - [ 0.0073532000000000, 0.0003149600000000, -0.0004014100000000 ] - [ 0.0309155700000000, -0.0148188800000000, 0.0035614100000000 ] - [ -0.0001943700000000, 0.0034123400000000, 0.0002597800000000 ] - [ 0.0310980800000000, 0.0099237000000000, -0.0030402800000000 ] - [ 0.0002201300000000, -0.0004391500000000, -0.0000455500000000 ] - [ 0.0089846600000000, 0.0001874300000000, 0.0000560800000000 ] - [ 0.0079715000000000, -0.0004797000000000, 0.0002962800000000 ] - [ -0.1823439100000000, -0.0077158400000000, -0.0017460200000000 ] - [ -0.0223264500000000, 0.0046107600000000, -0.0011565500000000 ] - [ 0.0083668100000000, 0.0000223300000000, -0.0004166200000000 ] - [ 0.0085175300000000, -0.0000160000000000, 0.0000727900000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0151103300000000, -0.0055428500000000, -0.0015372200000000 ] - [ -0.0062054300000000, 0.0104466300000000, -0.0008646200000000 ] - [ 0.0044063400000000, -0.0013655800000000, 0.0000856600000000 ] - [ 0.0035643500000000, -0.0004618100000000, -0.0000244400000000 ] - [ -0.0270730500000000, 0.0076998500000000, -0.0027100400000000 ] - [ -0.0235486800000000, -0.0024775200000000, -0.0051921100000000 ] - [ 0.0043437100000000, 0.0000393200000000, -0.0005415800000000 ] - [ 0.0034268400000000, 0.0005709600000000, 0.0004647600000000 ] - [ 0.0041276900000000, 0.0007751700000000, -0.0000457200000000 ] - [ 0.0036462900000000, 0.0006630500000000, 0.0000922800000000 ] - [ -0.0211853400000000, 0.0014766900000000, -0.0095506000000000 ] - [ -0.0084644000000000, -0.0040327800000000, 0.0025132900000000 ] - [ 0.0042464000000000, 0.0008399100000000, 0.0007905500000000 ] - [ 0.0039087600000000, 0.0007182300000000, -0.0005668500000000 ] - [ -0.0145656100000000, 0.0032657900000000, 0.0016961900000000 ] - [ -0.0074978400000000, -0.0038908600000000, -0.0031189900000000 ] - [ 0.0049716200000000, 0.0007860800000000, -0.0001189100000000 ] - [ 0.0029955400000000, -0.0022074600000000, 0.0003711500000000 ] - [ 0.0064968200000000, 0.0030521100000000, 0.0000244300000000 ] - [ 0.0024024800000000, -0.0015728700000000, 0.0004014100000000 ] - [ 0.0033938300000000, 0.0052958600000000, -0.0000508000000000 ] - [ 0.0043232800000000, -0.0008128800000000, 0.0000012000000000 ] - [ 0.0034611100000000, -0.0042529300000000, 0.0007182900000000 ] - [ 0.0028111000000000, 0.0045719400000000, -0.0001828000000000 ] - [ 0.0052388400000000, -0.0012216500000000, 0.0004212400000000 ] - [ 0.0025500900000000, 0.0005209700000000, 0.0003854700000000 ] - [ 0.0049787400000000, -0.0005272300000000, -0.0010183300000000 ] - [ 0.0025248700000000, 0.0012536800000000, -0.0010053300000000 ] - [ 0.0060332400000000, -0.0017677800000000, -0.0019485100000000 ] - [ 0.0025289200000000, 0.0008023200000000, -0.0002050200000000 ] - [ 0.0048696000000000, -0.0000270200000000, -0.0000771600000000 ] - [ 0.0029401200000000, 0.0013271700000000, 0.0011853400000000 ] - [ 0.0040146400000000, 0.0007190600000000, 0.0000308400000000 ] - [ 0.0041224100000000, 0.0014087500000000, -0.0003264300000000 ] - [ -0.0156314900000000, 0.0013940100000000, -0.0003054200000000 ] - [ -0.0080032100000000, 0.0127002200000000, 0.0011755900000000 ] - [ 0.0036500900000000, -0.0005377400000000, 0.0001674900000000 ] - [ 0.0041647200000000, -0.0007561200000000, 0.0005455200000000 ] - [ -0.0053317600000000, -0.0045807500000000, 0.0035377200000000 ] - [ -0.0199759300000000, -0.0058608600000000, -0.0110545900000000 ] - [ 0.0041080900000000, -0.0004070800000000, 0.0004153600000000 ] - [ 0.0042650400000000, -0.0012410800000000, -0.0004966300000000 ] - [ -0.0058364600000000, -0.0051147500000000, -0.0033609900000000 ] - [ -0.0230274700000000, -0.0069118800000000, 0.0171374800000000 ] - [ 0.0042050000000000, -0.0009733400000000, -0.0001989500000000 ] - [ 0.0036690000000000, 0.0002741900000000, 0.0005007000000000 ] - [ -0.0000175700000000, -0.0044410000000000, -0.0003586800000000 ] - [ 0.0036731600000000, 0.0002396900000000, -0.0009305400000000 ] - [ -0.0027186700000000, -0.0000645500000000, 0.0001955100000000 ] - [ -0.0022217000000000, -0.0000636600000000, 0.0001736000000000 ] - [ 0.0079470800000000, 0.0050105100000000, 0.0001575800000000 ] - [ 0.0066397600000000, -0.0044990100000000, 0.0003455700000000 ] - [ -0.0026327700000000, -0.0005356800000000, 0.0002971000000000 ] - [ -0.0017640400000000, 0.0005337800000000, 0.0001722100000000 ] - [ -0.0037293300000000, -0.0012022900000000, 0.0006872500000000 ] - [ -0.0020144100000000, 0.0013440900000000, 0.0003914300000000 ] - [ -0.0008403300000000, 0.0053320100000000, -0.0020393400000000 ] - [ -0.0016408800000000, -0.0093171000000000, -0.0009954000000000 ] - [ -0.0026765900000000, 0.0004620700000000, -0.0000509700000000 ] - [ -0.0021305900000000, -0.0003322300000000, 0.0000820700000000 ] - [ -0.0051782500000000, -0.0003905000000000, -0.0000650600000000 ] - [ -0.0049054200000000, 0.0000661900000000, -0.0002049900000000 ] - [ 0.0166976700000000, -0.0288697400000000, 0.0096849500000000 ] - [ 0.0157369700000000, 0.0348799000000000, 0.0062908900000000 ] - [ -0.0056372100000000, 0.0028003400000000, 0.0005043700000000 ] - [ -0.0049967200000000, -0.0030905300000000, 0.0001498700000000 ] - [ -0.0049491200000000, 0.0022326000000000, 0.0000501600000000 ] - [ -0.0040334200000000, -0.0020085800000000, -0.0002782400000000 ] - [ -0.0047899900000000, -0.0202581800000000, -0.0029938500000000 ] - [ -0.0008374800000000, 0.0127937100000000, -0.0009404400000000 ] - [ -0.0051115500000000, -0.0003249600000000, -0.0002467900000000 ] - [ -0.0049909500000000, 0.0004646700000000, 0.0001543600000000 ] - [ -0.0093836000000000, 0.0000068600000000, -0.0002488300000000 ] - [ -0.0074526000000000, -0.0003476600000000, 0.0002873100000000 ] - [ -0.0304754600000000, 0.0146056000000000, -0.0036228300000000 ] - [ 0.0001428100000000, -0.0033919000000000, -0.0003767700000000 ] - [ -0.0325060600000000, -0.0099083000000000, 0.0033872100000000 ] - [ 0.0007854400000000, 0.0002459000000000, 0.0003322200000000 ] - [ -0.0100338800000000, -0.0003712700000000, 0.0002322400000000 ] - [ -0.0069085300000000, 0.0006678500000000, -0.0000072500000000 ] - [ 0.1820226500000000, 0.0082795500000000, 0.0011481100000000 ] - [ 0.0228842700000000, -0.0045984300000000, 0.0007944400000000 ] - [ -0.0089296700000000, 0.0001007100000000, 0.0000859300000000 ] - [ -0.0079555900000000, -0.0001075700000000, -0.0004043000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0095063300000000, 0.0165466700000000, 0.0007140400000000 ] - [ -0.0068738400000000, -0.0034561700000000, -0.0002626600000000 ] - [ 0.0003749800000000, -0.0001956500000000, 0.0000277900000000 ] - [ -0.0003076000000000, 0.0000391800000000, 0.0000459000000000 ] - [ -0.0027985600000000, 0.0120134400000000, -0.0071739900000000 ] - [ 0.0023082400000000, 0.0169158600000000, 0.0013297200000000 ] - [ 0.0004020500000000, -0.0003458900000000, -0.0000502400000000 ] - [ -0.0004111900000000, 0.0002726700000000, -0.0000363100000000 ] - [ 0.0000129500000000, 0.0000049000000000, 0.0001034100000000 ] - [ -0.0000859100000000, -0.0000553100000000, 0.0000604200000000 ] - [ -0.0038507400000000, 0.0149647000000000, 0.0028882900000000 ] - [ 0.0067255900000000, -0.0086166000000000, 0.0056512000000000 ] - [ -0.0001346900000000, -0.0000141300000000, -0.0000217600000000 ] - [ 0.0000443200000000, -0.0000560800000000, 0.0000465900000000 ] - [ -0.0068664100000000, 0.0133420300000000, -0.0027014400000000 ] - [ 0.0088723600000000, -0.0080844000000000, -0.0056662900000000 ] - [ -0.0009128600000000, -0.0005431300000000, -0.0001311400000000 ] - [ 0.0002768100000000, -0.0005157800000000, -0.0000871700000000 ] - [ -0.0007635500000000, 0.0014202400000000, -0.0000198600000000 ] - [ 0.0018564400000000, 0.0002022200000000, 0.0004977100000000 ] - [ -0.0066560600000000, -0.0062935700000000, -0.0006360300000000 ] - [ 0.0003018000000000, 0.0006760300000000, -0.0002240200000000 ] - [ 0.0019029700000000, 0.0002659000000000, -0.0002089200000000 ] - [ -0.0021395600000000, -0.0031746200000000, -0.0005295300000000 ] - [ -0.0005957200000000, 0.0023928000000000, -0.0009431200000000 ] - [ -0.0001910100000000, -0.0008823700000000, -0.0002698800000000 ] - [ 0.0000541500000000, 0.0007297700000000, -0.0003414900000000 ] - [ 0.0004914100000000, -0.0013723400000000, 0.0004778000000000 ] - [ 0.0002240900000000, 0.0032697900000000, 0.0003631100000000 ] - [ -0.0010324800000000, -0.0012830700000000, -0.0000595000000000 ] - [ 0.0010592000000000, 0.0002258200000000, 0.0001462300000000 ] - [ -0.0005593800000000, -0.0007947100000000, -0.0003869200000000 ] - [ -0.0000486600000000, -0.0000870800000000, -0.0001638900000000 ] - [ 0.0000558900000000, 0.0002033200000000, -0.0001563400000000 ] - [ 0.0037324300000000, 0.0108129500000000, 0.0013563500000000 ] - [ -0.0003468100000000, -0.0131393100000000, -0.0004553700000000 ] - [ -0.0000448500000000, 0.0001425700000000, 0.0003899300000000 ] - [ 0.0001134600000000, -0.0001009800000000, 0.0003659500000000 ] - [ -0.0013056600000000, -0.0118052700000000, 0.0052482300000000 ] - [ 0.0042399900000000, 0.0160158300000000, 0.0097054200000000 ] - [ 0.0001702500000000, 0.0004046800000000, -0.0000881100000000 ] - [ -0.0000893200000000, -0.0003739800000000, -0.0000603900000000 ] - [ -0.0023566800000000, -0.0128223000000000, -0.0044707100000000 ] - [ 0.0039916100000000, 0.0141653100000000, -0.0134013600000000 ] - [ 0.0007044800000000, -0.0000962000000000, -0.0000170700000000 ] - [ -0.0005767000000000, 0.0003364100000000, 0.0000374200000000 ] - [ 0.0065423700000000, -0.0044986300000000, -0.0008609800000000 ] - [ -0.0004271900000000, -0.0002191000000000, -0.0003018200000000 ] - [ -0.0002409700000000, -0.0000741200000000, 0.0001853700000000 ] - [ 0.0002421000000000, 0.0000366400000000, 0.0001869400000000 ] - [ -0.0051321500000000, 0.0028755800000000, 0.0000078800000000 ] - [ 0.0042474500000000, 0.0118640200000000, 0.0002457400000000 ] - [ 0.0006124500000000, -0.0000887100000000, 0.0001363200000000 ] - [ -0.0003710200000000, 0.0002970200000000, 0.0001449400000000 ] - [ 0.0011338000000000, -0.0002050400000000, 0.0000278800000000 ] - [ -0.0021705100000000, 0.0003568000000000, 0.0002694900000000 ] - [ -0.0047008700000000, -0.0053121700000000, -0.0010197000000000 ] - [ 0.0103150000000000, 0.0067300000000000, 0.0005635500000000 ] - [ -0.0003070200000000, 0.0002558500000000, 0.0000093600000000 ] - [ 0.0002834900000000, -0.0001647700000000, 0.0000274200000000 ] - [ 0.0000027800000000, 0.0000896200000000, -0.0000601400000000 ] - [ 0.0000173900000000, 0.0000752400000000, -0.0000823600000000 ] - [ 0.0211671000000000, -0.0072239100000000, -0.0077607200000000 ] - [ -0.0378936000000000, 0.0327210400000000, -0.0004345700000000 ] - [ -0.0011584800000000, -0.0023833700000000, -0.0002346000000000 ] - [ 0.0011490800000000, 0.0006153500000000, 0.0002061600000000 ] - [ -0.0013997700000000, -0.0006246200000000, -0.0003993600000000 ] - [ 0.0017084600000000, 0.0019859900000000, -0.0002130000000000 ] - [ 0.0103738700000000, 0.0182634700000000, 0.0021691700000000 ] - [ -0.0106078800000000, 0.0294440500000000, -0.0005129400000000 ] - [ 0.0001237000000000, -0.0003486600000000, -0.0000426000000000 ] - [ -0.0002009600000000, 0.0002254900000000, -0.0000320700000000 ] - [ 0.0003087900000000, -0.0008494200000000, -0.0001382500000000 ] - [ 0.0002383500000000, 0.0005806400000000, -0.0001127800000000 ] - [ -0.0103069700000000, -0.0122737000000000, -0.0005198800000000 ] - [ -0.0035534500000000, 0.0107162600000000, 0.0002401400000000 ] - [ 0.0142465700000000, -0.0124771000000000, 0.0002544100000000 ] - [ 0.0010246600000000, 0.0061541300000000, 0.0007834100000000 ] - [ -0.0005687300000000, -0.0009045600000000, 0.0002419800000000 ] - [ -0.0001222400000000, 0.0007510000000000, 0.0002003800000000 ] - [ -0.0079301400000000, -0.1531051100000000, 0.0108791800000000 ] - [ 0.0048886900000000, 0.0254209300000000, 0.0054057300000000 ] - [ -0.0002426700000000, -0.0000385000000000, -0.0001709600000000 ] - [ 0.0002349800000000, 0.0000781900000000, -0.0001807200000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0092238800000000, -0.0157585800000000, -0.0006130000000000 ] - [ 0.0063213600000000, 0.0030967700000000, 0.0003067900000000 ] - [ 0.0001555900000000, -0.0002657100000000, 0.0000404700000000 ] - [ -0.0002229900000000, 0.0004231100000000, 0.0000250100000000 ] - [ 0.0036253000000000, -0.0110819900000000, 0.0066943300000000 ] - [ -0.0032036300000000, -0.0156843600000000, -0.0009653300000000 ] - [ 0.0004483300000000, -0.0002747800000000, -0.0000398700000000 ] - [ -0.0004295100000000, 0.0003467900000000, -0.0000531300000000 ] - [ 0.0001702900000000, -0.0000926800000000, 0.0000697700000000 ] - [ -0.0000966300000000, 0.0001505100000000, 0.0001212500000000 ] - [ 0.0040815300000000, -0.0148324100000000, -0.0026724700000000 ] - [ -0.0068414900000000, 0.0085119400000000, -0.0054426900000000 ] - [ 0.0001003300000000, -0.0001500800000000, 0.0000611400000000 ] - [ -0.0000138800000000, 0.0002160500000000, -0.0000022100000000 ] - [ 0.0069166700000000, -0.0131206400000000, 0.0027307000000000 ] - [ -0.0087734700000000, 0.0079076400000000, 0.0057026200000000 ] - [ 0.0015105900000000, 0.0004309200000000, 0.0001356100000000 ] - [ -0.0008812200000000, 0.0006087400000000, 0.0000943200000000 ] - [ 0.0013846100000000, -0.0013004400000000, 0.0000236200000000 ] - [ -0.0024525100000000, -0.0002985100000000, -0.0004964900000000 ] - [ 0.0058992600000000, 0.0057946800000000, 0.0007288700000000 ] - [ -0.0002016300000000, -0.0000858600000000, -0.0003803000000000 ] - [ -0.0017942000000000, -0.0008873800000000, -0.0003882600000000 ] - [ 0.0020364100000000, 0.0037414800000000, -0.0000761100000000 ] - [ 0.0003246700000000, -0.0022294500000000, 0.0004394300000000 ] - [ 0.0004464200000000, 0.0007319600000000, -0.0002278500000000 ] - [ -0.0003087700000000, -0.0009040700000000, -0.0001659200000000 ] - [ -0.0002178900000000, 0.0015333300000000, -0.0009789900000000 ] - [ 0.0000933700000000, -0.0029385900000000, -0.0001672600000000 ] - [ 0.0006986900000000, 0.0009722600000000, 0.0002454500000000 ] - [ -0.0007349000000000, -0.0005581000000000, 0.0000469500000000 ] - [ 0.0002401100000000, 0.0011193300000000, 0.0005742400000000 ] - [ -0.0001620600000000, -0.0003354800000000, -0.0001495100000000 ] - [ 0.0001514300000000, 0.0002186100000000, -0.0001558100000000 ] - [ -0.0032997400000000, -0.0116818800000000, -0.0016754400000000 ] - [ 0.0006007900000000, 0.0126897200000000, 0.0001440000000000 ] - [ -0.0002308300000000, 0.0002010300000000, 0.0003915900000000 ] - [ 0.0001655900000000, -0.0002419900000000, 0.0004191600000000 ] - [ 0.0009924200000000, 0.0114839300000000, -0.0044883300000000 ] - [ -0.0044616900000000, -0.0160213700000000, -0.0093058300000000 ] - [ -0.0000428300000000, 0.0005132100000000, -0.0000763700000000 ] - [ -0.0000343500000000, -0.0005465100000000, -0.0001080900000000 ] - [ 0.0024404800000000, 0.0119211700000000, 0.0043254900000000 ] - [ -0.0044020000000000, -0.0133684300000000, 0.0135570300000000 ] - [ 0.0000372100000000, -0.0003578700000000, 0.0001230500000000 ] - [ -0.0001565000000000, 0.0001234700000000, 0.0000712000000000 ] - [ -0.0058419300000000, 0.0049431100000000, 0.0009660700000000 ] - [ 0.0003087300000000, -0.0003596000000000, -0.0003019400000000 ] - [ -0.0001873500000000, 0.0000046900000000, 0.0001857600000000 ] - [ 0.0001865600000000, 0.0000307000000000, 0.0001837200000000 ] - [ 0.0047349400000000, -0.0027698200000000, 0.0003701000000000 ] - [ -0.0038903500000000, -0.0120243300000000, 0.0001234400000000 ] - [ -0.0010229500000000, -0.0001055800000000, 0.0002736800000000 ] - [ 0.0007880000000000, -0.0000969900000000, 0.0002660600000000 ] - [ -0.0015621500000000, 0.0003919800000000, 0.0003849400000000 ] - [ 0.0025802400000000, -0.0005621900000000, 0.0001393600000000 ] - [ 0.0043209700000000, 0.0047395800000000, 0.0010822100000000 ] - [ -0.0098152500000000, -0.0061868400000000, -0.0005024400000000 ] - [ -0.0000774800000000, 0.0002838800000000, 0.0000476500000000 ] - [ 0.0001001700000000, -0.0003745600000000, 0.0000292600000000 ] - [ -0.0001945600000000, -0.0000085600000000, -0.0001140700000000 ] - [ 0.0001729100000000, -0.0001547300000000, -0.0000953500000000 ] - [ -0.0212848000000000, 0.0068448600000000, 0.0075889900000000 ] - [ 0.0374627000000000, -0.0322737900000000, 0.0002739200000000 ] - [ 0.0010023000000000, 0.0022975300000000, 0.0001117400000000 ] - [ -0.0009878000000000, -0.0005678700000000, -0.0003260000000000 ] - [ 0.0012434500000000, 0.0007217500000000, 0.0002804400000000 ] - [ -0.0015564700000000, -0.0020530000000000, 0.0000953300000000 ] - [ -0.0104569700000000, -0.0177249000000000, -0.0022593400000000 ] - [ 0.0107783500000000, -0.0301142800000000, 0.0004310300000000 ] - [ -0.0001125900000000, -0.0001128100000000, -0.0000467800000000 ] - [ 0.0001864200000000, 0.0002360500000000, -0.0000567400000000 ] - [ -0.0002113100000000, 0.0008849500000000, 0.0000250600000000 ] - [ -0.0003257700000000, -0.0006183000000000, -0.0000006700000000 ] - [ 0.0103419400000000, 0.0124166000000000, 0.0004066900000000 ] - [ 0.0034126000000000, -0.0106638800000000, -0.0003548800000000 ] - [ -0.0152462700000000, 0.0127286600000000, 0.0000320800000000 ] - [ 0.0000881600000000, -0.0063567100000000, -0.0004977900000000 ] - [ -0.0004964300000000, 0.0007194000000000, 0.0000465900000000 ] - [ 0.0011724900000000, -0.0005712200000000, 0.0000890300000000 ] - [ 0.0080502400000000, 0.1520533800000000, -0.0113082900000000 ] - [ -0.0043210800000000, -0.0252784100000000, -0.0057011200000000 ] - [ -0.0003208900000000, 0.0001618900000000, -0.0001594800000000 ] - [ 0.0003264100000000, -0.0002001700000000, -0.0001511000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010372400000000, 0.0003677200000000, 0.0092953400000000 ] - [ 0.0029864100000000, -0.0002693500000000, -0.0053297900000000 ] - [ 0.0003701200000000, -0.0002543400000000, 0.0000416100000000 ] - [ -0.0001559400000000, 0.0002329700000000, 0.0000326300000000 ] - [ 0.0021034300000000, -0.0031563500000000, 0.0021347000000000 ] - [ 0.0016364500000000, 0.0050354800000000, 0.0055515700000000 ] - [ 0.0005383700000000, -0.0002941500000000, -0.0000577100000000 ] - [ -0.0003087100000000, 0.0003240200000000, -0.0000321200000000 ] - [ 0.0002144800000000, -0.0000202300000000, 0.0000819200000000 ] - [ 0.0000190600000000, 0.0000818100000000, 0.0000990100000000 ] - [ 0.0090877600000000, -0.0024098800000000, 0.0069654500000000 ] - [ -0.0000779800000000, 0.0001971400000000, 0.0018237400000000 ] - [ 0.0001172600000000, -0.0000496200000000, 0.0000466400000000 ] - [ 0.0001337700000000, 0.0001231400000000, -0.0000032700000000 ] - [ 0.0043519300000000, -0.0022295600000000, 0.0046122500000000 ] - [ 0.0007542400000000, 0.0000599900000000, -0.0005188000000000 ] - [ 0.0004043900000000, 0.0001259200000000, -0.0000917400000000 ] - [ -0.0003895400000000, 0.0001696800000000, -0.0000886800000000 ] - [ 0.0002989000000000, -0.0002487500000000, 0.0009308300000000 ] - [ -0.0003495800000000, -0.0000919000000000, 0.0000022500000000 ] - [ 0.0015358800000000, 0.0015291700000000, -0.0043407800000000 ] - [ 0.0001955900000000, 0.0001944300000000, -0.0002870600000000 ] - [ -0.0006407200000000, 0.0002729300000000, -0.0008218000000000 ] - [ -0.0007082400000000, 0.0002059700000000, 0.0002031300000000 ] - [ 0.0001131300000000, -0.0003957400000000, 0.0002666700000000 ] - [ 0.0003096200000000, -0.0000105600000000, -0.0002451400000000 ] - [ -0.0000765600000000, -0.0005276200000000, 0.0001028300000000 ] - [ 0.0000615500000000, 0.0001243900000000, -0.0001476900000000 ] - [ 0.0004369900000000, 0.0001477700000000, 0.0003895800000000 ] - [ 0.0001531000000000, 0.0000535100000000, 0.0001724600000000 ] - [ 0.0001923500000000, -0.0001598200000000, 0.0001528100000000 ] - [ -0.0001155400000000, 0.0002576700000000, 0.0000382700000000 ] - [ 0.0000123500000000, -0.0001978800000000, -0.0001504800000000 ] - [ 0.0002334900000000, 0.0002395800000000, -0.0001606300000000 ] - [ 0.0000872300000000, 0.0001080800000000, 0.0073635300000000 ] - [ -0.0001885100000000, 0.0019075300000000, -0.0050679000000000 ] - [ -0.0000355900000000, 0.0001478700000000, 0.0003817200000000 ] - [ 0.0002553900000000, -0.0002011600000000, 0.0004079900000000 ] - [ 0.0000926500000000, -0.0001846300000000, 0.0001048900000000 ] - [ 0.0045458300000000, 0.0045817500000000, 0.0056434500000000 ] - [ 0.0001692200000000, 0.0004340000000000, -0.0000634400000000 ] - [ 0.0000624600000000, -0.0005003900000000, -0.0001078900000000 ] - [ 0.0001875500000000, 0.0002282900000000, 0.0004506700000000 ] - [ -0.0082268600000000, -0.0082825600000000, 0.0131747000000000 ] - [ 0.0004625900000000, -0.0002708300000000, 0.0000520000000000 ] - [ -0.0001944800000000, 0.0001957600000000, 0.0000682400000000 ] - [ 0.0004762600000000, 0.0006653400000000, -0.0001522200000000 ] - [ 0.0000483700000000, -0.0003858500000000, -0.0002937200000000 ] - [ -0.0002857300000000, -0.0000305000000000, 0.0001848600000000 ] - [ 0.0001375900000000, 0.0000315600000000, 0.0001835300000000 ] - [ 0.0000782200000000, -0.0007289900000000, 0.0079370200000000 ] - [ 0.0001664100000000, -0.0001384100000000, -0.0020823800000000 ] - [ -0.0003340700000000, -0.0001073800000000, 0.0002110800000000 ] - [ 0.0001747700000000, 0.0000575000000000, 0.0001909600000000 ] - [ -0.0005194800000000, 0.0001965700000000, 0.0010634800000000 ] - [ 0.0003196500000000, -0.0000764900000000, 0.0002227100000000 ] - [ 0.0026339300000000, -0.0007631800000000, 0.0066403500000000 ] - [ 0.0011253200000000, 0.0009567100000000, -0.0026291700000000 ] - [ -0.0002472000000000, 0.0002710400000000, 0.0000322500000000 ] - [ 0.0001256700000000, -0.0002772700000000, 0.0000298600000000 ] - [ -0.0002510800000000, 0.0000160300000000, -0.0000912000000000 ] - [ -0.0000412300000000, -0.0000586800000000, -0.0000867500000000 ] - [ -0.0177524100000000, 0.0014350700000000, 0.0464044000000000 ] - [ -0.0047672600000000, 0.0019652200000000, -0.0072503800000000 ] - [ -0.0000808200000000, 0.0002389900000000, 0.0000424900000000 ] - [ -0.0002677200000000, 0.0001662800000000, -0.0002200500000000 ] - [ 0.0001241900000000, 0.0002248000000000, 0.0002158100000000 ] - [ 0.0002639700000000, -0.0002631200000000, -0.0000450800000000 ] - [ -0.0016785300000000, -0.0039234300000000, 0.0303820700000000 ] - [ 0.0001882200000000, -0.0006949200000000, 0.0005099200000000 ] - [ -0.0001680400000000, -0.0002064700000000, -0.0000531800000000 ] - [ -0.0001421400000000, 0.0002483900000000, -0.0000412600000000 ] - [ -0.0002893000000000, 0.0000499100000000, -0.0000665400000000 ] - [ -0.0003786700000000, -0.0001235300000000, -0.0000376300000000 ] - [ 0.0041886600000000, -0.0001979800000000, -0.0095096500000000 ] - [ 0.0004575500000000, -0.0004631200000000, 0.0003041400000000 ] - [ -0.0038434200000000, -0.0002887200000000, -0.0097527900000000 ] - [ 0.0002562800000000, -0.0010291300000000, 0.0001092300000000 ] - [ -0.0007587000000000, -0.0000261300000000, 0.0001016800000000 ] - [ 0.0003683900000000, 0.0000956400000000, 0.0001323900000000 ] - [ -0.0017853900000000, 0.0110102100000000, -0.1093902800000000 ] - [ 0.0012521700000000, -0.0054280400000000, 0.0040567900000000 ] - [ -0.0005306700000000, 0.0000673700000000, -0.0001574200000000 ] - [ 0.0000437400000000, -0.0000765100000000, -0.0001713000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005747600000000, 0.0001342400000000, -0.0092203100000000 ] - [ -0.0035917300000000, -0.0002461300000000, 0.0054109500000000 ] - [ 0.0001576900000000, -0.0002034800000000, 0.0000261700000000 ] - [ -0.0003770100000000, 0.0002303000000000, 0.0000379600000000 ] - [ -0.0012741900000000, 0.0042779600000000, -0.0033926000000000 ] - [ -0.0024770600000000, -0.0054892500000000, -0.0056703100000000 ] - [ 0.0003129700000000, -0.0003254200000000, -0.0000324300000000 ] - [ -0.0005349000000000, 0.0002956500000000, -0.0000579200000000 ] - [ -0.0000324000000000, -0.0000671700000000, 0.0000903700000000 ] - [ -0.0002022800000000, 0.0000138200000000, 0.0000834700000000 ] - [ -0.0082755600000000, 0.0025432200000000, -0.0061393000000000 ] - [ -0.0000945400000000, -0.0002848600000000, -0.0016803100000000 ] - [ -0.0001527500000000, -0.0001139800000000, -0.0000065600000000 ] - [ -0.0001033800000000, 0.0000367100000000, 0.0000473500000000 ] - [ -0.0041880700000000, 0.0024971900000000, -0.0048618600000000 ] - [ -0.0007319800000000, -0.0001950300000000, 0.0006079600000000 ] - [ 0.0001939700000000, -0.0002287600000000, 0.0000973000000000 ] - [ -0.0002099000000000, -0.0000689500000000, 0.0000928200000000 ] - [ 0.0002966500000000, 0.0003579400000000, -0.0009226200000000 ] - [ -0.0002558000000000, -0.0000154100000000, -0.0000019900000000 ] - [ -0.0022765500000000, -0.0019884300000000, 0.0044378200000000 ] - [ -0.0000958900000000, 0.0003916600000000, -0.0003177600000000 ] - [ 0.0007537100000000, -0.0008513800000000, 0.0002170900000000 ] - [ 0.0005896600000000, 0.0003789900000000, -0.0008039200000000 ] - [ -0.0003787900000000, 0.0005494500000000, -0.0007647600000000 ] - [ -0.0000479200000000, -0.0001555800000000, -0.0002553400000000 ] - [ -0.0001918000000000, 0.0003626600000000, -0.0006021900000000 ] - [ 0.0002032400000000, 0.0000412700000000, -0.0003559900000000 ] - [ -0.0001137600000000, 0.0001729700000000, -0.0001930700000000 ] - [ -0.0004797000000000, -0.0003830800000000, 0.0000156800000000 ] - [ 0.0001308000000000, -0.0001662700000000, 0.0000399700000000 ] - [ -0.0002112000000000, 0.0000683300000000, 0.0001489000000000 ] - [ -0.0002245100000000, -0.0002258000000000, -0.0001628000000000 ] - [ -0.0000290500000000, 0.0001795300000000, -0.0001512300000000 ] - [ -0.0002776300000000, 0.0003468100000000, -0.0076780500000000 ] - [ 0.0004148000000000, -0.0023073700000000, 0.0047438400000000 ] - [ -0.0002424000000000, 0.0001953200000000, 0.0003986000000000 ] - [ 0.0000206600000000, -0.0001416400000000, 0.0003763700000000 ] - [ -0.0003665500000000, -0.0001786200000000, 0.0007074600000000 ] - [ -0.0046508200000000, -0.0045445900000000, -0.0051477200000000 ] - [ -0.0000433600000000, 0.0004828600000000, -0.0001000700000000 ] - [ -0.0001901400000000, -0.0004189900000000, -0.0000603000000000 ] - [ -0.0000532300000000, -0.0011729200000000, -0.0006397700000000 ] - [ 0.0074136900000000, 0.0086573500000000, -0.0126353000000000 ] - [ 0.0002740000000000, -0.0001848600000000, 0.0000548300000000 ] - [ -0.0005403600000000, 0.0002611600000000, 0.0000395900000000 ] - [ 0.0003021100000000, -0.0002210400000000, 0.0002562000000000 ] - [ -0.0001703100000000, -0.0001993400000000, -0.0003074900000000 ] - [ -0.0001366200000000, -0.0000367400000000, 0.0001840100000000 ] - [ 0.0002869200000000, 0.0000345000000000, 0.0001849800000000 ] - [ -0.0004465400000000, 0.0006836100000000, -0.0075582100000000 ] - [ 0.0002747500000000, 0.0000862000000000, 0.0024493200000000 ] - [ -0.0000767600000000, -0.0000897600000000, 0.0001996300000000 ] - [ 0.0002352400000000, 0.0001403200000000, 0.0002193500000000 ] - [ 0.0001137700000000, 0.0000002100000000, -0.0006479600000000 ] - [ 0.0001002300000000, -0.0001267700000000, 0.0001877600000000 ] - [ -0.0031364200000000, 0.0002783500000000, -0.0065877000000000 ] - [ -0.0007710600000000, -0.0004384200000000, 0.0026769500000000 ] - [ -0.0001387400000000, 0.0002641200000000, 0.0000261400000000 ] - [ 0.0002623100000000, -0.0002589300000000, 0.0000280600000000 ] - [ 0.0000617600000000, 0.0000635900000000, -0.0000835000000000 ] - [ 0.0002327600000000, -0.0000227800000000, -0.0000905300000000 ] - [ 0.0182149900000000, -0.0012865300000000, -0.0466433500000000 ] - [ 0.0050338000000000, -0.0020668700000000, 0.0070688600000000 ] - [ -0.0000759200000000, -0.0003105200000000, -0.0001628800000000 ] - [ 0.0004327900000000, -0.0000882300000000, 0.0000959000000000 ] - [ -0.0002824500000000, -0.0001490400000000, -0.0003354500000000 ] - [ -0.0001029100000000, 0.0001853800000000, -0.0000757500000000 ] - [ 0.0015416900000000, 0.0042450500000000, -0.0304103000000000 ] - [ -0.0002436900000000, 0.0003208600000000, -0.0006134300000000 ] - [ 0.0001841300000000, -0.0002541400000000, -0.0000359600000000 ] - [ 0.0001294800000000, 0.0002144000000000, -0.0000476800000000 ] - [ 0.0003860100000000, -0.0000131500000000, -0.0000463400000000 ] - [ 0.0002881000000000, 0.0000906800000000, -0.0000766400000000 ] - [ -0.0041485500000000, 0.0001287400000000, 0.0093284300000000 ] - [ -0.0005567700000000, 0.0004843000000000, -0.0004197400000000 ] - [ 0.0028360200000000, 0.0005407800000000, 0.0100077900000000 ] - [ 0.0007999200000000, 0.0008705300000000, 0.0001872500000000 ] - [ -0.0002924000000000, -0.0001608000000000, 0.0001875000000000 ] - [ 0.0006896000000000, 0.0000857100000000, 0.0001565600000000 ] - [ 0.0011079700000000, -0.0111990400000000, 0.1096743900000000 ] - [ -0.0006995900000000, 0.0056780000000000, -0.0044634500000000 ] - [ -0.0000277700000000, 0.0000554800000000, -0.0001729700000000 ] - [ 0.0005203000000000, -0.0000461200000000, -0.0001597600000000 ]